| 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 | 31.6 | Very low | 34.9 | Very low | 213 Ų | 213 | 38.7 Ų | 38.7 | 100% | 1.049 | 23% | 0.232 | S | C | * | . | 0 | -50 | 0 | -60.8 | -173.6 | -123.1 | 0 | 0 | 112.8 | A3 | M1-A3 PolarHBondContact O-N 3.37Š| |||
| 2 | V | 30.4 | Very low | 35.3 | Very low | 31 Ų | 31 | 36.7 Ų | 36.7 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -28.5 | -174.5 | -177.3 | 0 | 0 | 0 | 0 | 115.8 | C4 C6 F266 | V2-C4 PolarHBondContact O-N 3.08Å; V2-C6 WeakPolarHBondContact CG1-SG 3.33Å; V2-C6 PolarHBondContact O-N 3.27Å; V2-C6 PolarHBondContact O-SG 2.85Å; V2-F266 HydrophobicContact CG1-CE1 4.44Å |
| 3 | A | 31.1 | Very low | 35.8 | Very low | 63 Ų | 63 | 35.8 Ų | 35.8 | 52% | 0.521 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.6 | -26.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1 L7 | M1-A3 PolarHBondContact O-N 3.37Å; A3-L7 WeakPolarHBondContact O-CD1 3.48Å |
| 4 | C | 30.5 | Very low | 36.1 | Very low | 21 Ų | 21 | 35 Ų | 35 | 14% | 0.142 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -85.8 | -39 | 179.3 | -101.2 | 0 | 0 | 0 | 0 | 112.5 | V2 L7 L224 V241 | V2-C4 PolarHBondContact O-N 3.08Å; C4-L7 PolarHBondContact O-N 3.3Å; C4-L224 VanDerWaalsContact SG-CD2 3.59Å; C4-V241 HydrophobicContact CB-CG2 4.07Å |
| 5 | G | 28.3 | Very low | 36.4 | Very low | 10 Ų | 10 | 33.7 Ų | 33.7 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L7 T9 | G5-L7 PolarHBondContact O-N 3.42Å; G5-T9 PolarHBondContact O-N 3.37Å; G5-T9 PolarHBondContact O-OG1 3.25Å |
| 6 | C | 33.9 | Very low | 36.8 | Very low | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -20.3 | 179.4 | -71.4 | 0 | 0 | 0 | 0 | 114.9 | V2 T9 A10 M171 F266 | V2-C6 WeakPolarHBondContact CG1-SG 3.33Å; V2-C6 PolarHBondContact O-N 3.27Å; V2-C6 PolarHBondContact O-SG 2.85Å; C6-T9 WeakPolarHBondContact CA-OG1 3.42Å; C6-T9 PolarHBondContact O-OG1 3.23Å; C6-A10 WeakPolarHBondContact O-CB 3.09Å; C6-A10 PolarHBondContact O-N 3.33Å; C6-M171 HydrophobicContact CB-CE 3.62Å; C6-M171 HydrophobicContact CB-SD 4.31Å; C6-F266 VanDerWaalsContact SG-CZ 3.58Å |
| 7 | L | 41.4 | Very low | 37 | Very low | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -98.1 | -35.2 | -172.8 | -95.6 | 148.5 | 0 | 0 | 0 | 113.2 | A3 C4 G5 T9 A10 C11 F130 L227 | A3-L7 WeakPolarHBondContact O-CD1 3.48Å; C4-L7 PolarHBondContact O-N 3.3Å; G5-L7 PolarHBondContact O-N 3.42Å; L7-T9 VanDerWaalsContact C-N 3.26Å; L7-A10 PolarHBondContact O-N 3.11Å; L7-A10 VanDerWaalsContact O-N 3.09Å; L7-C11 WeakPolarHBondContact O-CB 3.43Å; L7-C11 PolarHBondContact O-N 3.34Å; L7-F130 HydrophobicContact CD2-CD2 3.8Å; L7-F130 HydrophobicContact CD2-CE2 3.41Å; L7-F130 VanDerWaalsContact CD2-CE2 3.41Å; L7-F130 HydrophobicContact CD2-CZ 4.19Å; L7-F130 HydrophobicContact CG-CD2 4.24Å; L7-F130 HydrophobicContact CG-CE2 4.02Å; L7-F130 HydrophobicContact CG-CZ 4.47Å; L7-L227 HydrophobicContact CB-CD1 4.44Å; L7-L227 HydrophobicContact CB-CD2 4.49Å; L7-L227 HydrophobicContact CD1-CD1 3.9Å; L7-L227 HydrophobicContact CD1-CD2 3.3Å; L7-L227 HydrophobicContact CD1-CG 4.23Å; L7-L227 HydrophobicContact CD2-CD2 3.79Å; L7-L227 HydrophobicContact CG-CD2 4.02Å |
| 8 | L | 38.7 | Very low | 37.1 | Very low | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 162.3 | -88.9 | 177.1 | 0 | 0 | 0 | 109.3 | A10 L12 L223 V241 F244 I245 | L8-A10 PolarHBondContact O-N 2.93Å; L8-L12 HydrophobicContact CB-CD1 4.31Å; L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 WeakPolarHBondContact O-CD1 2.8Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.69Å; L8-L223 HydrophobicContact CD1-CD2 4.4Å; L8-L223 HydrophobicContact CD2-CD2 3.69Å; L8-L223 HydrophobicContact CG-CD2 3.5Å; L8-V241 HydrophobicContact CD1-CG1 3.68Å; L8-V241 HydrophobicContact CG-CG1 4.3Å; L8-F244 HydrophobicContact CB-CD1 4.24Å; L8-F244 HydrophobicContact CB-CE1 4Å; L8-F244 HydrophobicContact CD1-CD1 3.49Å; L8-F244 VanDerWaalsContact CD1-CD1 3.49Å; L8-F244 HydrophobicContact CD1-CE1 4.1Å; L8-F244 HydrophobicContact CD1-CG 4.46Å; L8-I245 HydrophobicContact CD1-CG1 3.77Å |
| 9 | T | 38.4 | Very low | 37.2 | Very low | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -32.1 | 172.9 | 23.1 | 0 | 0 | 0 | 0 | 112.1 | G5 C6 L7 L12 L13 F248 L262 | G5-T9 PolarHBondContact O-N 3.37Å; G5-T9 PolarHBondContact O-OG1 3.25Å; C6-T9 WeakPolarHBondContact CA-OG1 3.42Å; C6-T9 PolarHBondContact O-OG1 3.23Å; L7-T9 VanDerWaalsContact C-N 3.26Å; T9-L12 CarbonylContact O-C 3.14Å; T9-L12 VanDerWaalsContact O-C 3.25Å; T9-L12 PolarHBondContact O-N 3.35Å; T9-L13 WeakPolarHBondContact O-CA 3.33Å; T9-L13 WeakPolarHBondContact O-CB 3.16Å; T9-L13 WeakPolarHBondContact O-CG 3.44Å; T9-L13 PolarHBondContact O-N 3.05Å; T9-F248 HydrophobicContact CG2-CD2 4.23Å; T9-F248 HydrophobicContact CG2-CE2 3.6Å; T9-F248 HydrophobicContact CG2-CZ 4.45Å; T9-L262 HydrophobicContact CG2-CD2 3.46Å; T9-L262 VanDerWaalsContact CG2-CD2 3.46Å; T9-L262 HydrophobicContact CG2-CG 4.16Å |
| 10 | A | 39.7 | Very low | 37.3 | Very low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -84.4 | -36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117 | C6 L7 L8 L12 L13 V14 M128 F130 | C6-A10 WeakPolarHBondContact O-CB 3.09Å; C6-A10 PolarHBondContact O-N 3.33Å; L7-A10 PolarHBondContact O-N 3.11Å; L7-A10 VanDerWaalsContact O-N 3.09Å; L8-A10 PolarHBondContact O-N 2.93Å; A10-L12 PolarHBondContact O-N 3.27Å; A10-L13 HydrophobicContact CB-CD1 4.07Å; A10-L13 WeakPolarHBondContact O-CB 3.21Å; A10-L13 PolarHBondContact O-N 3.24Å; A10-L13 VanDerWaalsContact O-N 3.08Å; A10-V14 WeakPolarHBondContact O-CG2 3.03Å; A10-V14 PolarHBondContact O-N 2.99Å; A10-M128 HydrophobicContact CB-CE 3.69Å; A10-F130 HydrophobicContact CB-CE1 4.11Å; A10-F130 HydrophobicContact CB-CE2 3.99Å; A10-F130 HydrophobicContact CB-CZ 3.24Å |
| 11 | C | 39.4 | Very low | 37.3 | Very low | 50 Ų | 50 | 27.4 Ų | 27.4 | 34% | 0.338 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.6 | -37.6 | 163.9 | -71.8 | 0 | 0 | 0 | 0 | 108.7 | L7 V15 | L7-C11 WeakPolarHBondContact O-CB 3.43Å; L7-C11 PolarHBondContact O-N 3.34Å; C11-V15 VanDerWaalsContact O-CG2 3.3Å; C11-V15 WeakPolarHBondContact O-CG2 3.37Å; C11-V15 PolarHBondContact O-N 3.39Å |
| 12 | L | 40.4 | Very low | 37.7 | Very low | 14 Ų | 14 | 20.1 Ų | 20.1 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -78.5 | -20.1 | 172.7 | -65.3 | 152.5 | 0 | 0 | 0 | 113.3 | L8 T9 A10 V14 V15 S16 L212 F248 | L8-L12 HydrophobicContact CB-CD1 4.31Å; L8-L12 HydrophobicContact CD2-CD1 4.49Å; L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 WeakPolarHBondContact O-CD1 2.8Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.69Å; T9-L12 CarbonylContact O-C 3.14Å; T9-L12 VanDerWaalsContact O-C 3.25Å; T9-L12 PolarHBondContact O-N 3.35Å; A10-L12 PolarHBondContact O-N 3.27Å; L12-V14 VanDerWaalsContact C-N 3.31Å; L12-V15 HydrophobicContact CD2-CB 4.42Å; L12-V15 CarbonylContact O-C 3.47Å; L12-V15 PolarHBondContact O-N 3.18Å; L12-S16 WeakPolarHBondContact O-CA 3.38Å; L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 2.82Å; L12-S16 PolarHBondContact O-OG 3.43Å; L12-L212 HydrophobicContact CD2-CD1 4.03Å; L12-F248 HydrophobicContact CB-CE1 4.04Å; L12-F248 HydrophobicContact CB-CZ 3.83Å; L12-F248 HydrophobicContact CD1-CD1 3.47Å; L12-F248 VanDerWaalsContact CD1-CD1 3.47Å; L12-F248 HydrophobicContact CD1-CE1 3.04Å; L12-F248 HydrophobicContact CD1-CE2 4.32Å; L12-F248 HydrophobicContact CD1-CG 4.27Å; L12-F248 HydrophobicContact CD1-CZ 3.52Å; L12-F248 HydrophobicContact CD2-CE1 4.01Å; L12-F248 HydrophobicContact CG-CE1 3.83Å; L12-F248 HydrophobicContact CG-CZ 4.13Å |
| 13 | L | 41.3 | Very low | 38 | Very low | 25 Ų | 25 | 19.2 Ų | 19.2 | 13% | 0.131 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 171.9 | -82.8 | 170.3 | 0 | 0 | 0 | 107.8 | T9 A10 V15 S16 F17 I258 L262 | T9-L13 WeakPolarHBondContact O-CA 3.33Å; T9-L13 WeakPolarHBondContact O-CB 3.16Å; T9-L13 WeakPolarHBondContact O-CG 3.44Å; T9-L13 PolarHBondContact O-N 3.05Å; A10-L13 HydrophobicContact CB-CD1 4.07Å; A10-L13 WeakPolarHBondContact O-CB 3.21Å; A10-L13 PolarHBondContact O-N 3.24Å; A10-L13 VanDerWaalsContact O-N 3.08Å; L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 3.3Å; L13-S16 PolarHBondContact O-N 2.04Å; L13-F17 HydrophobicContact CB-CD2 4.06Å; L13-F17 HydrophobicContact CB-CE2 3.92Å; L13-F17 HydrophobicContact CD2-CD2 4.09Å; L13-F17 HydrophobicContact CD2-CE2 3.27Å; L13-F17 HydrophobicContact CD2-CZ 3.72Å; L13-F17 HydrophobicContact CG-CE2 4.11Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.05Å; L13-F17 WeakPolarHBondContact O-CG 3.4Å; L13-F17 PolarHBondContact O-N 3.02Å; L13-I258 HydrophobicContact CB-CD1 4.31Å; L13-I258 HydrophobicContact CD2-CD1 3.43Å; L13-I258 VanDerWaalsContact CD2-CD1 3.43Å; L13-I258 HydrophobicContact CD2-CG1 3.84Å; L13-I258 HydrophobicContact CD2-CG2 4.26Å; L13-I258 HydrophobicContact CG-CD1 3.96Å; L13-L262 HydrophobicContact CD1-CD1 4.08Å; L13-L262 HydrophobicContact CD2-CD1 3.29Å; L13-L262 HydrophobicContact CG-CD1 3.96Å |
| 14 | V | 40.3 | Very low | 38.8 | Very low | 25 Ų | 25 | 21.8 Ų | 21.8 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | A10 L12 L111 F112 | A10-V14 WeakPolarHBondContact O-CG2 3.03Å; A10-V14 PolarHBondContact O-N 2.99Å; L12-V14 VanDerWaalsContact C-N 3.31Å; V14-L111 CarbonylContact O-C 3.1Å; V14-L111 WeakPolarHBondContact O-CB 3.01Å; V14-F112 HydrophobicContact CG1-CB 4.46Å; V14-F112 HydrophobicContact CG1-CD1 3.17Å; V14-F112 HydrophobicContact CG1-CE1 3.35Å; V14-F112 HydrophobicContact CG1-CG 3.83Å; V14-F112 HydrophobicContact CG1-CZ 4.13Å |
| 15 | V | 41 | Very low | 40 | Very low | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.3 | -29.6 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 113 | C11 L12 L13 F108 L111 V204 | C11-V15 VanDerWaalsContact O-CG2 3.3Å; C11-V15 WeakPolarHBondContact O-CG2 3.37Å; C11-V15 PolarHBondContact O-N 3.39Å; L12-V15 HydrophobicContact CD2-CB 4.42Å; L12-V15 CarbonylContact O-C 3.47Å; L12-V15 PolarHBondContact O-N 3.18Å; L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 3.3Å; V15-F108 HydrophobicContact CG1-CE2 4.12Å; V15-F108 HydrophobicContact CG2-CE2 3.96Å; V15-F108 HydrophobicContact CG2-CZ 3.66Å; V15-L111 HydrophobicContact CG1-CD1 4.18Å; V15-L111 WeakPolarHBondContact O-CD1 3.43Å; V15-L111 WeakPolarHBondContact O-CD2 3.13Å; V15-V204 HydrophobicContact CG1-CG1 3.82Å |
| 16 | S | 41.9 | Very low | 41.8 | Very low | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -104.1 | -12.9 | -169.3 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | L12 L13 L18 | L12-S16 WeakPolarHBondContact O-CA 3.38Å; L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 2.82Å; L12-S16 PolarHBondContact O-OG 3.43Å; L13-S16 PolarHBondContact O-N 2.04Å; S16-L18 WeakPolarHBondContact O-CG 3.31Å; S16-L18 PolarHBondContact O-N 3.01Å |
| 17 | F | 40.9 | Very low | 43.9 | Very low | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -78.8 | 61.3 | 162.3 | -70.2 | -60 | 0 | 0 | 0 | 109.7 | L13 M38 L178 I258 | L13-F17 HydrophobicContact CB-CD2 4.06Å; L13-F17 HydrophobicContact CB-CE2 3.92Å; L13-F17 HydrophobicContact CD2-CD2 4.09Å; L13-F17 HydrophobicContact CD2-CE2 3.27Å; L13-F17 HydrophobicContact CD2-CZ 3.72Å; L13-F17 HydrophobicContact CG-CE2 4.11Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.05Å; L13-F17 WeakPolarHBondContact O-CG 3.4Å; L13-F17 PolarHBondContact O-N 3.02Å; F17-M38 HydrophobicContact CD1-CE 3.81Å; F17-M38 HydrophobicContact CE1-CE 3.75Å; F17-M38 HydrophobicContact CZ-CE 4.49Å; F17-L178 HydrophobicContact CZ-CB 4.45Å; F17-I258 HydrophobicContact CE1-CG2 4.3Å; F17-I258 HydrophobicContact CZ-CG2 4.4Å |
| 18 | L | 37.8 | Very low | 45.4 | Very low | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | 58.4 | 97.8 | 128.1 | -63.4 | 156.8 | 0 | 0 | 0 | 114.7 | S16 F34 F197 K201 | S16-L18 WeakPolarHBondContact O-CG 3.31Å; S16-L18 PolarHBondContact O-N 3.01Å; L18-F34 HydrophobicContact CB-CD1 4.43Å; L18-F34 HydrophobicContact CB-CE1 3.67Å; L18-F34 HydrophobicContact CB-CZ 4.46Å; L18-F34 HydrophobicContact CD1-CE1 3.62Å; L18-F34 HydrophobicContact CD1-CZ 3.5Å; L18-F34 VanDerWaalsContact CD1-CZ 3.5Å; L18-F34 HydrophobicContact CG-CE1 4.16Å; L18-F197 HydrophobicContact CB-CE1 4.43Å; L18-F197 HydrophobicContact CB-CE2 3.61Å; L18-F197 HydrophobicContact CB-CZ 3.43Å; L18-F197 VanDerWaalsContact CB-CZ 3.43Å; L18-F197 HydrophobicContact CD1-CE1 3.51Å; L18-F197 HydrophobicContact CD1-CE2 4.27Å; L18-F197 HydrophobicContact CD1-CZ 3.21Å; L18-F197 HydrophobicContact CD2-CD1 3.93Å; L18-F197 HydrophobicContact CD2-CD2 4.06Å; L18-F197 HydrophobicContact CD2-CE1 3.25Å; L18-F197 HydrophobicContact CD2-CE2 3.41Å; L18-F197 VanDerWaalsContact CD2-CE2 3.41Å; L18-F197 HydrophobicContact CD2-CG 4.33Å; L18-F197 HydrophobicContact CD2-CZ 3.02Å; L18-F197 HydrophobicContact CG-CE1 3.75Å; L18-F197 HydrophobicContact CG-CE2 3.81Å; L18-F197 HydrophobicContact CG-CZ 3.2Å; L18-K201 HydrophobicContact CD2-CD 3.44Å; L18-K201 VanDerWaalsContact CD2-CD 3.44Å; L18-K201 HydrophobicContact CD2-CG 3.21Å | |||
| 19 | N | 40.5 | Very low | 47.3 | Very low | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | trans | -132.4 | 102.1 | 164.4 | -158 | 82 | 0 | 0 | 0 | 110.5 | A21 K35 F106 D110 L111 L200 | N19-A21 PolarHBondContact O-N 3.12Å; N19-A21 VanDerWaalsContact O-N 3.08Å; N19-K35 WeakPolarHBondContact OD1-CD 3.44Å; N19-K35 WeakPolarHBondContact OD1-CE 3.21Å; N19-K35 PolarHBondContact OD1-NZ 2.99Å; N19-F106 WeakPolarHBondContact O-CE2 3.49Å; N19-D110 HydrophobicContact CB-CB 3.99Å; N19-D110 WeakPolarHBondContact CB-O 2.91Å; N19-D110 WeakPolarHBondContact ND2-CB 3.38Å; N19-D110 VanDerWaalsContact OD1-C 3.24Å; N19-D110 VanDerWaalsContact OD1-CB 3.28Å; N19-D110 WeakPolarHBondContact OD1-CB 3.37Å; N19-D110 PolarHBondContact OD1-O 2.82Å; N19-L111 HydrophobicContact CB-CB 4.34Å; N19-L111 HydrophobicContact CB-CD2 3.48Å; N19-L111 VanDerWaalsContact CB-CD2 3.48Å; N19-L111 HydrophobicContact CB-CG 3.99Å; N19-L111 VanDerWaalsContact CB-N 3.31Å; N19-L111 VanDerWaalsContact N-CD2 3.34Å; N19-L200 WeakPolarHBondContact O-CD2 3.31Å | ||
| 20 | G | 37.5 | Very low | 49.4 | Very low | 21 Ų | 21 | 38 Ų | 38 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | trans | -46.2 | 111.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L200 | G20-L200 VanDerWaalsContact CA-CD2 3.44Š| ||
| 21 | A | 38.5 | Very low | 51.1 | Low | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | trans | -53.7 | 152.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N19 G23 F103 F106 L200 | N19-A21 PolarHBondContact O-N 3.12Å; N19-A21 VanDerWaalsContact O-N 3.08Å; A21-G23 PolarHBondContact O-N 3.33Å; A21-F103 HydrophobicContact CB-CB 3.48Å; A21-F103 VanDerWaalsContact CB-CB 3.48Å; A21-F103 HydrophobicContact CB-CD1 4.04Å; A21-F103 HydrophobicContact CB-CG 4.11Å; A21-F106 VanDerWaalsContact CB-CA 3.46Å; A21-F106 HydrophobicContact CB-CB 3.56Å; A21-F106 HydrophobicContact CB-CD2 4.09Å; A21-F106 HydrophobicContact CB-CG 4.32Å; A21-L200 HydrophobicContact CB-CD1 4.28Å; A21-L200 HydrophobicContact CB-CD2 4.37Å | ||
| 22 | S | 39 | Very low | 52.9 | Low | 60 Ų | 60 | 40.7 Ų | 40.7 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -69 | 70.4 | 150.2 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | G105 | S22-G105 VanDerWaalsContact OG-CA 3.3Å; S22-G105 WeakPolarHBondContact OG-CA 3.49Å |
| 23 | G | 37.5 | Very low | 54.9 | Low | 11 Ų | 11 | 46.9 Ų | 46.9 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -81.7 | 125.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | A21 | A21-G23 PolarHBondContact O-N 3.33Š|
| 24 | D | 48.3 | Very low | 56.8 | Low | 118 Ų | 118 | 45.8 Ų | 45.8 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 37.5 | 123.6 | -163.1 | -85.9 | -24.4 | 0 | 0 | 0 | 116.3 | A26 C27 | D24-A26 HydrophobicContact CB-CB 4.34Å; D24-A26 PolarHBondContact O-N 2.91Å; D24-C27 PolarHBondContact O-N 3.44Å |
| 25 | Q | 55.2 | Low | 58.3 | Low | 186 Ų | 186 | 46.7 Ų | 46.7 | 87% | 0.869 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -21.1 | 174.7 | -69.9 | 176.7 | -22 | 0 | 0 | 112.7 | ||
| 26 | A | 66.9 | Low | 59.9 | Low | 83 Ų | 83 | 47.7 Ų | 47.7 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D24 | D24-A26 HydrophobicContact CB-CB 4.34Å; D24-A26 PolarHBondContact O-N 2.91Å |
| 27 | C | 76.7 | Confident | 61.8 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -7 | -171 | -73.8 | 0 | 0 | 0 | 0 | 114.9 | D24 G29 E30 F31 C193 E196 | D24-C27 PolarHBondContact O-N 3.44Å; C27-G29 VanDerWaalsContact C-N 3.26Å; C27-G29 PolarHBondContact O-N 3.31Å; C27-E30 PolarHBondContact O-N 2.78Å; C27-E30 VanDerWaalsContact O-N 3.09Å; C27-F31 HydrophobicContact CB-CD1 4.45Å; C27-F31 HydrophobicContact CB-CD2 4.24Å; C27-F31 HydrophobicContact CB-CE1 3.9Å; C27-F31 HydrophobicContact CB-CE2 3.68Å; C27-F31 HydrophobicContact CB-CZ 3.48Å; C27-F31 VanDerWaalsContact CB-CZ 3.48Å; C27-F31 WeakPolarHBondContact O-CG 3.15Å; C27-F31 PolarHBondContact O-N 2.83Å; C27-C193 WeakPolarHBondContact CA-SG 3.41Å; C27-C193 HydrophobicContact CB-CB 3.73Å; C27-C193 WeakPolarHBondContact CB-SG 3.34Å; C27-C193 WeakPolarHBondContact SG-CA 3.26Å; C27-C193 WeakPolarHBondContact SG-CB 3.32Å; C27-C193 CovalentContact SG-SG 2.04Å; C27-C193 PolarHBondContact SG-SG 3.36Å; C27-E196 WeakPolarHBondContact CB-OE2 3.1Å; C27-E196 PolarHBondContact SG-OE2 3Å |
| 28 | T | 74.1 | Confident | 63.7 | Low | 47 Ų | 47 | 48.7 Ų | 48.7 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.4 | -41 | -176.7 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | N32 | T28-N32 WeakPolarHBondContact O-CB 2.93Å; T28-N32 VanDerWaalsContact O-CG 3.31Å; T28-N32 PolarHBondContact O-N 2.98Å; T28-N32 PolarHBondContact O-ND2 3.11Å |
| 29 | G | 77.2 | Confident | 65.3 | Low | 44 Ų | 44 | 48.1 Ų | 48.1 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C27 N32 K33 | C27-G29 VanDerWaalsContact C-N 3.26Å; C27-G29 PolarHBondContact O-N 3.31Å; G29-N32 PolarHBondContact O-N 3.06Å; G29-K33 WeakPolarHBondContact O-CG 3.49Å; G29-K33 PolarHBondContact O-N 2.68Å; G29-K33 VanDerWaalsContact O-N 3.07Å |
| 30 | E | 82.8 | Confident | 67 | Low | 47 Ų | 47 | 48.8 Ų | 48.8 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 178.8 | -64.4 | -173.6 | -163.6 | 0 | 0 | 112 | C27 N32 K33 F34 M189 S190 C193 | C27-E30 PolarHBondContact O-N 2.78Å; C27-E30 VanDerWaalsContact O-N 3.09Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 2.89Å; E30-F34 PolarHBondContact O-N 3.41Å; E30-M189 HydrophobicContact CB-CG 4.31Å; E30-M189 WeakPolarHBondContact OE2-CA 3.29Å; E30-S190 WeakPolarHBondContact OE1-CB 3.35Å; E30-S190 PolarHBondContact OE1-OG 2.95Å; E30-S190 PolarHBondContact OE2-N 3.13Å; E30-S190 PolarHBondContact OE2-OG 3.17Å; E30-S190 VanDerWaalsContact OE2-OG 3.05Å; E30-C193 HydrophobicContact CB-CB 4.43Å; E30-C193 VanDerWaalsContact CD-SG 3.54Å; E30-C193 WeakPolarHBondContact OE2-CB 3.4Å; E30-C193 PolarHBondContact OE2-SG 3.4Å; E30-C193 VanDerWaalsContact OE2-SG 3.35Å |
| 31 | F | 76.9 | Confident | 69 | Low | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 172.9 | -63.7 | -17.3 | 0 | 0 | 0 | 111.6 | C27 F34 K35 M189 C193 E196 F197 | C27-F31 HydrophobicContact CB-CD1 4.45Å; C27-F31 HydrophobicContact CB-CD2 4.24Å; C27-F31 HydrophobicContact CB-CE1 3.9Å; C27-F31 HydrophobicContact CB-CE2 3.68Å; C27-F31 HydrophobicContact CB-CZ 3.48Å; C27-F31 VanDerWaalsContact CB-CZ 3.48Å; C27-F31 WeakPolarHBondContact O-CG 3.15Å; C27-F31 PolarHBondContact O-N 2.83Å; F31-F34 PolarHBondContact O-N 3.35Å; F31-K35 WeakPolarHBondContact O-CB 3.49Å; F31-K35 PolarHBondContact O-N 3.39Å; F31-M189 HydrophobicContact CD1-CE 3.46Å; F31-M189 VanDerWaalsContact CD1-CE 3.46Å; F31-M189 HydrophobicContact CD1-SD 4.48Å; F31-M189 HydrophobicContact CE1-CE 3.35Å; F31-C193 HydrophobicContact CE1-CB 3.96Å; F31-C193 WeakPolarHBondContact CE1-O 3.13Å; F31-E196 HydrophobicContact CZ-CB 3.98Å; F31-F197 HydrophobicContact CD1-CD2 4.13Å; F31-F197 HydrophobicContact CE1-CB 3.86Å; F31-F197 HydrophobicContact CE1-CD2 4.09Å; F31-F197 HydrophobicContact CE1-CG 4.46Å; F31-F197 HydrophobicContact CZ-CB 4.33Å |
| 32 | N | 76.3 | Confident | 70.6 | Confident | 96 Ų | 96 | 49.1 Ų | 49.1 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 175.8 | -77.6 | -31.4 | 0 | 0 | 0 | 112.5 | T28 G29 E30 K35 G36 | T28-N32 WeakPolarHBondContact O-CB 2.93Å; T28-N32 VanDerWaalsContact O-CG 3.31Å; T28-N32 PolarHBondContact O-N 2.98Å; T28-N32 PolarHBondContact O-ND2 3.11Å; G29-N32 PolarHBondContact O-N 3.06Å; E30-N32 VanDerWaalsContact C-N 3.32Å; E30-N32 PolarHBondContact O-N 3.11Å; N32-K35 PolarHBondContact O-N 3.15Å; N32-G36 PolarHBondContact O-N 3.44Å |
| 33 | K | 81.4 | Confident | 72.2 | Confident | 143 Ų | 143 | 48 Ų | 48 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 172.8 | -73.7 | 175.9 | -177.5 | 176.8 | 0 | 111.4 | G29 E30 K35 G36 C37 | G29-K33 WeakPolarHBondContact O-CG 3.49Å; G29-K33 PolarHBondContact O-N 2.68Å; G29-K33 VanDerWaalsContact O-N 3.07Å; E30-K33 PolarHBondContact O-N 2.89Å; K33-K35 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 2.84Å; K33-G36 PolarHBondContact O-N 2.84Å; K33-C37 WeakPolarHBondContact O-CB 3.32Å; K33-C37 PolarHBondContact O-N 2.97Å |
| 34 | F | 81.5 | Confident | 74 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -47.9 | 175.1 | 173.9 | -89.9 | 0 | 0 | 0 | 111.3 | L18 E30 F31 G36 C37 M38 K182 C185 M186 M189 F197 | L18-F34 HydrophobicContact CB-CD1 4.43Å; L18-F34 HydrophobicContact CB-CE1 3.67Å; L18-F34 HydrophobicContact CB-CZ 4.46Å; L18-F34 HydrophobicContact CD1-CE1 3.62Å; L18-F34 HydrophobicContact CD1-CZ 3.5Å; L18-F34 VanDerWaalsContact CD1-CZ 3.5Å; L18-F34 HydrophobicContact CG-CE1 4.16Å; E30-F34 PolarHBondContact O-N 3.41Å; F31-F34 PolarHBondContact O-N 3.35Å; F34-G36 PolarHBondContact O-N 3.04Å; F34-C37 WeakPolarHBondContact O-CB 3.34Å; F34-C37 PolarHBondContact O-N 3.31Å; F34-M38 HydrophobicContact CD1-CG 4.31Å; F34-M38 HydrophobicContact CE1-CB 4.45Å; F34-M38 HydrophobicContact CE1-CG 3.6Å; F34-M38 HydrophobicContact CE2-CG 3.88Å; F34-M38 HydrophobicContact CZ-CG 3.35Å; F34-M38 HydrophobicContact CZ-SD 4.22Å; F34-M38 PolarHBondContact O-N 3.4Å; F34-K182 HydrophobicContact CE2-CG 4.41Å; F34-K182 HydrophobicContact CZ-CG 4.25Å; F34-C185 HydrophobicContact CD2-CB 3.62Å; F34-C185 HydrophobicContact CE2-CB 3.64Å; F34-M186 HydrophobicContact CD2-CG 4.2Å; F34-M186 HydrophobicContact CD2-SD 3.7Å; F34-M186 HydrophobicContact CE2-CG 3.72Å; F34-M186 HydrophobicContact CE2-SD 3.51Å; F34-M186 VanDerWaalsContact CE2-SD 3.51Å; F34-M186 HydrophobicContact CZ-SD 4.23Å; F34-M189 HydrophobicContact CB-CG 4.4Å; F34-M189 HydrophobicContact CB-SD 3.93Å; F34-M189 HydrophobicContact CD2-SD 4.09Å; F34-M189 HydrophobicContact CG-SD 4.07Å; F34-F197 HydrophobicContact CD1-CE2 4.06Å; F34-F197 AromaticContact CD1-CZ 3.8Å; F34-F197 HydrophobicContact CD1-CZ 3.8Å; F34-F197 HydrophobicContact CE1-CE2 4.18Å; F34-F197 AromaticContact CE1-CZ 3.56Å; F34-F197 HydrophobicContact CE1-CZ 3.56Å; F34-F197 HydrophobicContact CE2-CZ 4.38Å; F34-F197 HydrophobicContact CG-CZ 4.34Å; F34-F197 AromaticContact CZ-CZ 3.87Å; F34-F197 HydrophobicContact CZ-CZ 3.87Å |
| 35 | K | 73.4 | Confident | 75.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.1 | 179.7 | 176.6 | -175.8 | 162.7 | 0 | 112.3 | N19 F31 N32 K33 C37 M38 S39 D110 | N19-K35 WeakPolarHBondContact OD1-CD 3.44Å; N19-K35 WeakPolarHBondContact OD1-CE 3.21Å; N19-K35 PolarHBondContact OD1-NZ 2.99Å; F31-K35 WeakPolarHBondContact O-CB 3.49Å; F31-K35 PolarHBondContact O-N 3.39Å; N32-K35 PolarHBondContact O-N 3.15Å; K33-K35 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 2.84Å; K35-C37 VanDerWaalsContact C-N 3.32Å; K35-M38 PolarHBondContact O-N 3.3Å; K35-S39 VanDerWaalsContact O-CB 3.26Å; K35-S39 WeakPolarHBondContact O-CB 3.35Å; K35-S39 PolarHBondContact O-N 3.48Å; K35-S39 PolarHBondContact O-OG 2.84Å; K35-D110 PolarHBondContact NZ-O 3.25Å |
| 36 | G | 74.3 | Confident | 75.8 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N32 K33 F34 S39 G40 | N32-G36 PolarHBondContact O-N 3.44Å; K33-G36 PolarHBondContact O-N 2.84Å; F34-G36 PolarHBondContact O-N 3.04Å; G36-S39 PolarHBondContact O-N 3.07Å; G36-G40 PolarHBondContact O-N 3.1Å |
| 37 | C | 81.6 | Confident | 75.8 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 30% | 0.297 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | K33 F34 K35 S39 G40 A41 C185 | K33-C37 WeakPolarHBondContact O-CB 3.32Å; K33-C37 PolarHBondContact O-N 2.97Å; F34-C37 WeakPolarHBondContact O-CB 3.34Å; F34-C37 PolarHBondContact O-N 3.31Å; K35-C37 VanDerWaalsContact C-N 3.32Å; C37-S39 PolarHBondContact O-N 3.27Å; C37-G40 PolarHBondContact O-N 2.92Å; C37-A41 PolarHBondContact O-N 3.22Å; C37-C185 HydrophobicContact CB-CB 3.68Å; C37-C185 WeakPolarHBondContact CB-SG 2.93Å; C37-C185 WeakPolarHBondContact SG-CA 3.29Å; C37-C185 WeakPolarHBondContact SG-CB 3.42Å; C37-C185 CovalentContact SG-SG 2.03Å; C37-C185 PolarHBondContact SG-SG 2.75Å |
| 38 | M | 80.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.2 | -77.5 | -57.4 | -61.9 | 0 | 0 | 113 | F17 F34 K35 G40 A41 F42 L113 L178 K182 C185 | F17-M38 HydrophobicContact CD1-CE 3.81Å; F17-M38 HydrophobicContact CE1-CE 3.75Å; F17-M38 HydrophobicContact CZ-CE 4.49Å; F34-M38 HydrophobicContact CD1-CG 4.31Å; F34-M38 HydrophobicContact CE1-CB 4.45Å; F34-M38 HydrophobicContact CE1-CG 3.6Å; F34-M38 HydrophobicContact CE2-CG 3.88Å; F34-M38 HydrophobicContact CZ-CG 3.35Å; F34-M38 HydrophobicContact CZ-SD 4.22Å; F34-M38 PolarHBondContact O-N 3.4Å; K35-M38 PolarHBondContact O-N 3.3Å; M38-G40 VanDerWaalsContact C-N 3.31Å; M38-G40 PolarHBondContact O-N 2.91Å; M38-A41 PolarHBondContact O-N 3.09Å; M38-F42 VanDerWaalsContact O-CB 3.28Å; M38-F42 WeakPolarHBondContact O-CB 3.35Å; M38-F42 PolarHBondContact O-N 2.03Å; M38-L113 HydrophobicContact CB-CD2 4.17Å; M38-L178 HydrophobicContact CE-CD2 4.42Å; M38-K182 HydrophobicContact CE-CB 4.33Å; M38-K182 VanDerWaalsContact SD-CA 3.51Å; M38-K182 HydrophobicContact SD-CB 3.98Å; M38-C185 HydrophobicContact CG-CB 4.24Å; M38-C185 HydrophobicContact SD-CB 4.29Å |
| 39 | S | 71.6 | Confident | 75.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | K35 G36 C37 F42 D43 | K35-S39 VanDerWaalsContact O-CB 3.26Å; K35-S39 WeakPolarHBondContact O-CB 3.35Å; K35-S39 PolarHBondContact O-N 3.48Å; K35-S39 PolarHBondContact O-OG 2.84Å; G36-S39 PolarHBondContact O-N 3.07Å; C37-S39 PolarHBondContact O-N 3.27Å; S39-F42 PolarHBondContact O-N 2.79Å; S39-D43 WeakPolarHBondContact O-CB 3.41Å; S39-D43 PolarHBondContact O-N 3.05Å |
| 40 | G | 75.6 | Confident | 74.5 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G36 C37 M38 F42 D43 R44 | G36-G40 PolarHBondContact O-N 3.1Å; C37-G40 PolarHBondContact O-N 2.92Å; M38-G40 VanDerWaalsContact C-N 3.31Å; M38-G40 PolarHBondContact O-N 2.91Å; G40-F42 VanDerWaalsContact C-N 3.32Å; G40-F42 PolarHBondContact O-N 3.25Å; G40-D43 PolarHBondContact O-N 3.46Å; G40-R44 WeakPolarHBondContact O-CG 3.37Å; G40-R44 PolarHBondContact O-N 2.98Å; G40-R44 PolarHBondContact O-NH1 3.22Å |
| 41 | A | 80 | Confident | 73.7 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C37 M38 R44 L45 E181 | C37-A41 PolarHBondContact O-N 3.22Å; M38-A41 PolarHBondContact O-N 3.09Å; A41-R44 PolarHBondContact O-N 3.48Å; A41-L45 PolarHBondContact O-N 3.18Å; A41-L45 VanDerWaalsContact O-N 3.09Å; A41-E181 HydrophobicContact CB-CB 3.75Å; A41-E181 HydrophobicContact CB-CG 3.84Å |
| 42 | F | 72.3 | Confident | 73.5 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 11% | 0.114 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 177.5 | -173.9 | -103.9 | 0 | 0 | 0 | 112.8 | M38 S39 G40 L45 I46 L113 F126 L178 | M38-F42 VanDerWaalsContact O-CB 3.28Å; M38-F42 WeakPolarHBondContact O-CB 3.35Å; M38-F42 PolarHBondContact O-N 2.03Å; S39-F42 PolarHBondContact O-N 2.79Å; G40-F42 VanDerWaalsContact C-N 3.32Å; G40-F42 PolarHBondContact O-N 3.25Å; F42-L45 WeakPolarHBondContact O-CB 3.26Å; F42-L45 PolarHBondContact O-N 3.37Å; F42-I46 HydrophobicContact CD1-CD1 3.48Å; F42-I46 VanDerWaalsContact CD1-CD1 3.48Å; F42-I46 HydrophobicContact CD1-CG1 4.33Å; F42-I46 HydrophobicContact CE1-CD1 3.34Å; F42-I46 HydrophobicContact CE1-CG1 4.21Å; F42-I46 HydrophobicContact CG-CD1 4.37Å; F42-I46 HydrophobicContact CZ-CD1 4.12Å; F42-I46 WeakPolarHBondContact O-CG1 3.21Å; F42-I46 PolarHBondContact O-N 2.86Å; F42-L113 HydrophobicContact CB-CD1 3.52Å; F42-L113 HydrophobicContact CD1-CB 4.3Å; F42-L113 HydrophobicContact CD1-CD1 3.95Å; F42-L113 HydrophobicContact CD2-CD1 3.85Å; F42-L113 HydrophobicContact CE2-CD1 4.5Å; F42-L113 HydrophobicContact CG-CD1 3.52Å; F42-F126 HydrophobicContact CE1-CD2 4.11Å; F42-F126 AromaticContact CE1-CE2 3.93Å; F42-F126 HydrophobicContact CE1-CE2 3.93Å; F42-F126 HydrophobicContact CE1-CZ 4.16Å; F42-F126 HydrophobicContact CE2-CE1 4.33Å; F42-F126 HydrophobicContact CE2-CE2 4.1Å; F42-F126 AromaticContact CE2-CZ 3.71Å; F42-F126 HydrophobicContact CE2-CZ 3.71Å; F42-F126 HydrophobicContact CZ-CD1 4.17Å; F42-F126 AromaticContact CZ-CD2 3.95Å; F42-F126 HydrophobicContact CZ-CD2 3.95Å; F42-F126 AromaticContact CZ-CE1 3.61Å; F42-F126 HydrophobicContact CZ-CE1 3.61Å; F42-F126 AromaticContact CZ-CE2 3.41Å; F42-F126 HydrophobicContact CZ-CE2 3.41Å; F42-F126 VanDerWaalsContact CZ-CE2 3.41Å; F42-F126 HydrophobicContact CZ-CG 4.31Å; F42-F126 AromaticContact CZ-CZ 3.21Å; F42-F126 HydrophobicContact CZ-CZ 3.21Å; F42-L178 HydrophobicContact CD2-CD2 4.42Å |
| 43 | D | 72 | Confident | 73.6 | Confident | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 175 | -80.1 | -38.2 | 0 | 0 | 0 | 111.4 | S39 G40 L45 I46 E47 K115 | S39-D43 WeakPolarHBondContact O-CB 3.41Å; S39-D43 PolarHBondContact O-N 3.05Å; G40-D43 PolarHBondContact O-N 3.46Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 PolarHBondContact O-N 2.82Å; D43-I46 WeakPolarHBondContact O-CB 3.29Å; D43-I46 PolarHBondContact O-N 3.2Å; D43-E47 WeakPolarHBondContact O-CG 3.28Å; D43-E47 PolarHBondContact O-N 3.41Å; D43-K115 IonicContact OD1-NZ 2.85Å; D43-K115 PolarHBondContact OD1-NZ 2.79Å |
| 44 | R | 75.9 | Confident | 73.4 | Confident | 105 Ų | 105 | 47.7 Ų | 47.7 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -36.5 | 174.8 | -72.1 | -170.4 | -60.8 | -86.8 | 8.8 | 113 | G40 A41 R48 E181 | G40-R44 WeakPolarHBondContact O-CG 3.37Å; G40-R44 PolarHBondContact O-N 2.98Å; G40-R44 PolarHBondContact O-NH1 3.22Å; A41-R44 PolarHBondContact O-N 3.48Å; R44-R48 WeakPolarHBondContact O-CG 3.37Å; R44-R48 PolarHBondContact O-N 3.22Å; R44-R48 PolarHBondContact O-NE 3.49Å; R44-E181 IonicContact CZ-OE1 2.75Å; R44-E181 IonicContact NH2-OE1 2.68Å; R44-E181 PolarHBondContact NH2-OE1 3.26Å; R44-E181 IonicContact NH2-OE2 2.78Å |
| 45 | L | 74.5 | Confident | 73.2 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 177.4 | -169.8 | 152.5 | 0 | 0 | 0 | 111.3 | A41 F42 D43 E47 R48 S49 P129 Y174 L178 | A41-L45 PolarHBondContact O-N 3.18Å; A41-L45 VanDerWaalsContact O-N 3.09Å; F42-L45 WeakPolarHBondContact O-CB 3.26Å; F42-L45 PolarHBondContact O-N 3.37Å; D43-L45 VanDerWaalsContact C-N 3.28Å; D43-L45 PolarHBondContact O-N 2.82Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 2.84Å; L45-R48 PolarHBondContact O-N 2.96Å; L45-S49 WeakPolarHBondContact O-CB 3.34Å; L45-S49 PolarHBondContact O-N 3.05Å; L45-S49 PolarHBondContact O-OG 3.33Å; L45-P129 HydrophobicContact CD2-CG 4.17Å; L45-Y174 HydrophobicContact CD1-CD1 4.06Å; L45-Y174 HydrophobicContact CD1-CG 4.09Å; L45-Y174 WeakPolarHBondContact CD1-O 3.31Å; L45-Y174 HydrophobicContact CD2-CD1 4.1Å; L45-Y174 HydrophobicContact CD2-CD2 4.22Å; L45-Y174 HydrophobicContact CD2-CG 3.89Å; L45-Y174 HydrophobicContact CG-CD1 3.83Å; L45-Y174 HydrophobicContact CG-CE1 4.46Å; L45-Y174 HydrophobicContact CG-CG 4.05Å; L45-L178 HydrophobicContact CD1-CD1 3.77Å; L45-L178 HydrophobicContact CD1-CD2 3.92Å; L45-L178 HydrophobicContact CD1-CG 3.48Å; L45-L178 VanDerWaalsContact CD1-CG 3.48Å |
| 46 | I | 65.9 | Low | 73.7 | Confident | 26 Ų | 26 | 51 Ų | 51 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56 | -51.6 | 174.6 | -73.2 | 162.3 | 0 | 0 | 0 | 110.4 | F42 D43 R48 S49 F126 | F42-I46 HydrophobicContact CD1-CD1 3.48Å; F42-I46 VanDerWaalsContact CD1-CD1 3.48Å; F42-I46 HydrophobicContact CD1-CG1 4.33Å; F42-I46 HydrophobicContact CE1-CD1 3.34Å; F42-I46 HydrophobicContact CE1-CG1 4.21Å; F42-I46 HydrophobicContact CG-CD1 4.37Å; F42-I46 HydrophobicContact CZ-CD1 4.12Å; F42-I46 WeakPolarHBondContact O-CG1 3.21Å; F42-I46 PolarHBondContact O-N 2.86Å; D43-I46 WeakPolarHBondContact O-CB 3.29Å; D43-I46 PolarHBondContact O-N 3.2Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 PolarHBondContact O-N 3.49Å; I46-S49 WeakPolarHBondContact CA-OG 3.33Å; I46-S49 PolarHBondContact O-N 3.37Å; I46-S49 PolarHBondContact O-OG 3.37Å; I46-F126 HydrophobicContact CD1-CD2 3.55Å; I46-F126 HydrophobicContact CD1-CE2 3.72Å; I46-F126 HydrophobicContact CG1-CD2 3.66Å; I46-F126 HydrophobicContact CG1-CE2 3.43Å; I46-F126 VanDerWaalsContact CG1-CE2 3.43Å |
| 47 | E | 68.3 | Low | 74.3 | Confident | 150 Ų | 150 | 52.1 Ų | 52.1 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.3 | -38.9 | -177.1 | -73.6 | 170.4 | -176.7 | 0 | 0 | 112.1 | D43 L45 | D43-E47 WeakPolarHBondContact O-CG 3.28Å; D43-E47 PolarHBondContact O-N 3.41Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 2.84Å |
| 48 | R | 68.9 | Low | 74.5 | Confident | 129 Ų | 129 | 50 Ų | 50 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.5 | -21.4 | 176.3 | -70.1 | -179 | -62.3 | 176 | 3.8 | 114 | R44 L45 I46 N50 E177 | R44-R48 WeakPolarHBondContact O-CG 3.37Å; R44-R48 PolarHBondContact O-N 3.22Å; R44-R48 PolarHBondContact O-NE 3.49Å; L45-R48 PolarHBondContact O-N 2.96Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 PolarHBondContact O-N 3.49Å; R48-N50 PolarHBondContact O-N 3.49Å; R48-E177 IonicContact CZ-OE1 2.78Å; R48-E177 IonicContact CZ-OE2 3.83Å; R48-E177 IonicContact NH1-OE1 3.43Å; R48-E177 PolarHBondContact NH1-OE1 3.04Å; R48-E177 IonicContact NH1-OE2 3.67Å; R48-E177 IonicContact NH2-OE1 2.62Å; R48-E177 PolarHBondContact NH2-OE1 3.23Å; R48-E177 IonicContact NH2-OE2 3.16Å; R48-E177 PolarHBondContact NH2-OE2 3.05Å |
| 49 | S | 66.3 | Low | 74.9 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | trans | -74.2 | 75.6 | -180 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | L45 I46 V51 | L45-S49 WeakPolarHBondContact O-CB 3.34Å; L45-S49 PolarHBondContact O-N 3.05Å; L45-S49 PolarHBondContact O-OG 3.33Å; I46-S49 WeakPolarHBondContact CA-OG 3.33Å; I46-S49 PolarHBondContact O-N 3.37Å; I46-S49 PolarHBondContact O-OG 3.37Å; S49-V51 PolarHBondContact O-N 3.05Å | ||
| 50 | N | 64.4 | Low | 75.8 | Confident | 94 Ų | 94 | 57 Ų | 57 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | trans | -72.8 | 78.6 | 175.7 | -170.2 | -5.7 | 0 | 0 | 0 | 110.5 | R48 E52 S53 | R48-N50 PolarHBondContact O-N 3.49Å; N50-E52 VanDerWaalsContact C-N 3.27Å; N50-E52 PolarHBondContact OD1-N 3.49Å; N50-S53 VanDerWaalsContact ND2-CB 3.29Å; N50-S53 WeakPolarHBondContact ND2-CB 3.42Å; N50-S53 WeakPolarHBondContact OD1-CB 3.4Å; N50-S53 PolarHBondContact OD1-N 3.21Å | ||
| 51 | V | 66.9 | Low | 76.5 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.3 | -31.8 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 110 | S49 K54 L55 | S49-V51 PolarHBondContact O-N 3.05Å; V51-K54 PolarHBondContact O-N 3.42Å; V51-K54 VanDerWaalsContact O-N 3.16Å; V51-L55 HydrophobicContact CG1-CD1 4.43Å; V51-L55 HydrophobicContact CG1-CD2 4.38Å; V51-L55 HydrophobicContact CG1-CG 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 3.14Å |
| 52 | E | 72.7 | Confident | 77.1 | Confident | 146 Ų | 146 | 56 Ų | 56 | 68% | 0.682 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | -174.9 | -64.4 | -175.7 | 166.5 | 0 | 0 | 112.7 | N50 K54 L55 E56 | N50-E52 VanDerWaalsContact C-N 3.27Å; N50-E52 PolarHBondContact OD1-N 3.49Å; E52-K54 PolarHBondContact O-N 3.44Å; E52-L55 WeakPolarHBondContact O-CB 3.16Å; E52-L55 PolarHBondContact O-N 2.83Å; E52-E56 PolarHBondContact O-N 2.73Å |
| 53 | S | 78.1 | Confident | 78.1 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.3 | -36.5 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 112 | N50 E56 Q57 | N50-S53 VanDerWaalsContact ND2-CB 3.29Å; N50-S53 WeakPolarHBondContact ND2-CB 3.42Å; N50-S53 WeakPolarHBondContact OD1-CB 3.4Å; N50-S53 PolarHBondContact OD1-N 3.21Å; S53-E56 PolarHBondContact O-N 3.2Å; S53-Q57 WeakPolarHBondContact O-CG 3.36Å; S53-Q57 PolarHBondContact O-N 2.94Å; S53-Q57 PolarHBondContact OG-NE2 3.38Å |
| 54 | K | 77.8 | Confident | 79.2 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.1 | -32.4 | 178.5 | -62.3 | -70.4 | 172.3 | -168.2 | 0 | 112.5 | V51 E52 E56 Q57 A58 F135 I163 E166 | V51-K54 PolarHBondContact O-N 3.42Å; V51-K54 VanDerWaalsContact O-N 3.16Å; E52-K54 PolarHBondContact O-N 3.44Å; K54-E56 VanDerWaalsContact C-N 3.32Å; K54-Q57 VanDerWaalsContact NZ-OE1 3.09Å; K54-A58 PolarHBondContact O-N 3.23Å; K54-F135 HydrophobicContact CB-CE1 4.14Å; K54-F135 HydrophobicContact CB-CE2 4.16Å; K54-F135 HydrophobicContact CB-CZ 3.34Å; K54-F135 VanDerWaalsContact O-CE1 3.28Å; K54-F135 WeakPolarHBondContact O-CE1 3.35Å; K54-I163 HydrophobicContact CB-CG2 4.26Å; K54-I163 HydrophobicContact CD-CG2 4.28Å; K54-E166 IonicContact NZ-OE2 2.82Å; K54-E166 PolarHBondContact NZ-OE2 2.87Å |
| 55 | L | 76.8 | Confident | 79.9 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 169.4 | -63.5 | 179.7 | 0 | 0 | 0 | 111.9 | V51 E52 A58 K59 R134 F135 Y138 | V51-L55 HydrophobicContact CG1-CD1 4.43Å; V51-L55 HydrophobicContact CG1-CD2 4.38Å; V51-L55 HydrophobicContact CG1-CG 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 3.14Å; E52-L55 WeakPolarHBondContact O-CB 3.16Å; E52-L55 PolarHBondContact O-N 2.83Å; L55-A58 CarbonylContact O-C 3.58Å; L55-A58 WeakPolarHBondContact O-CB 3.29Å; L55-A58 PolarHBondContact O-N 3.45Å; L55-K59 PolarHBondContact O-N 3.22Å; L55-R134 HydrophobicContact CD2-CB 3.39Å; L55-R134 HydrophobicContact CD2-CG 4.23Å; L55-F135 HydrophobicContact CD2-CE1 4.17Å; L55-F135 HydrophobicContact CD2-CZ 4.45Å; L55-Y138 HydrophobicContact CD2-CE2 3.66Å; L55-Y138 PolarHBondContact O-OH 3Å |
| 56 | E | 83.8 | Confident | 80.7 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 177.2 | -170.1 | 55.4 | -148 | 0 | 0 | 110.8 | E52 S53 K54 A58 K59 Q60 | E52-E56 PolarHBondContact O-N 2.73Å; S53-E56 PolarHBondContact O-N 3.2Å; K54-E56 VanDerWaalsContact C-N 3.32Å; E56-A58 VanDerWaalsContact C-N 3.25Å; E56-A58 PolarHBondContact O-N 2.84Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 3.11Å; E56-K59 VanDerWaalsContact O-N 3.08Å; E56-Q60 WeakPolarHBondContact O-CG 3.4Å; E56-Q60 PolarHBondContact O-N 2.96Å |
| 57 | Q | 86.4 | Confident | 81.8 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 171.1 | -71.4 | 169.3 | 34.9 | 0 | 0 | 111.9 | S53 K54 Q60 C61 I163 | S53-Q57 WeakPolarHBondContact O-CG 3.36Å; S53-Q57 PolarHBondContact O-N 2.94Å; S53-Q57 PolarHBondContact OG-NE2 3.38Å; K54-Q57 VanDerWaalsContact NZ-OE1 3.09Å; Q57-Q60 PolarHBondContact O-N 3.33Å; Q57-C61 PolarHBondContact O-N 3.23Å; Q57-C61 VanDerWaalsContact O-N 3.15Å; Q57-C61 PolarHBondContact O-SG 2.88Å; Q57-I163 HydrophobicContact CB-CD1 3.76Å; Q57-I163 HydrophobicContact CB-CG1 4.4Å |
| 58 | A | 85.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K54 L55 E56 C61 F62 F135 Y138 L160 I163 | K54-A58 PolarHBondContact O-N 3.23Å; L55-A58 CarbonylContact O-C 3.58Å; L55-A58 WeakPolarHBondContact O-CB 3.29Å; L55-A58 PolarHBondContact O-N 3.45Å; E56-A58 VanDerWaalsContact C-N 3.25Å; E56-A58 PolarHBondContact O-N 2.84Å; A58-C61 WeakPolarHBondContact O-CB 3.37Å; A58-C61 PolarHBondContact O-N 3.34Å; A58-F62 VanDerWaalsContact O-CD2 3.28Å; A58-F62 WeakPolarHBondContact O-CD2 3.4Å; A58-F135 HydrophobicContact CB-CD1 4.01Å; A58-F135 HydrophobicContact CB-CE1 3.89Å; A58-Y138 HydrophobicContact CB-CD1 4.09Å; A58-Y138 HydrophobicContact CB-CD2 4.14Å; A58-Y138 HydrophobicContact CB-CE1 3.92Å; A58-Y138 HydrophobicContact CB-CE2 4Å; A58-Y138 HydrophobicContact CB-CG 4.17Å; A58-L160 HydrophobicContact CB-CD2 3.68Å; A58-I163 HydrophobicContact CB-CD1 4.29Å |
| 59 | K | 87.9 | Confident | 83.5 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.3 | -179.3 | 168.4 | 177.8 | -84.7 | 0 | 111.6 | L55 E56 C61 F62 E63 T69 F74 | L55-K59 PolarHBondContact O-N 3.22Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 3.11Å; E56-K59 VanDerWaalsContact O-N 3.08Å; K59-C61 VanDerWaalsContact C-N 3.26Å; K59-C61 PolarHBondContact O-N 3.15Å; K59-F62 WeakPolarHBondContact O-CB 3.39Å; K59-F62 PolarHBondContact O-N 3.46Å; K59-E63 VanDerWaalsContact CE-OE1 3.22Å; K59-E63 WeakPolarHBondContact CE-OE1 3.02Å; K59-E63 HydrophobicContact CG-CG 4.38Å; K59-E63 IonicContact NZ-OE1 2.66Å; K59-E63 PolarHBondContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact O-N 3.3Å; K59-T69 HydrophobicContact CG-CG2 4.42Å; K59-F74 HydrophobicContact CB-CD1 4.01Å; K59-F74 HydrophobicContact CB-CE1 4.36Å; K59-F74 HydrophobicContact CD-CB 4.47Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CG-CD1 3.79Å; K59-F74 HydrophobicContact CG-CE1 4.37Å |
| 60 | Q | 90.8 | Very high | 84.2 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 175 | -70.8 | 173.4 | -1.4 | 0 | 0 | 112.8 | E56 Q57 F62 E63 K64 | E56-Q60 WeakPolarHBondContact O-CG 3.4Å; E56-Q60 PolarHBondContact O-N 2.96Å; Q57-Q60 PolarHBondContact O-N 3.33Å; Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 PolarHBondContact O-N 2.9Å; Q60-E63 PolarHBondContact O-N 3.41Å; Q60-K64 VanDerWaalsContact O-CB 3.23Å; Q60-K64 WeakPolarHBondContact O-CB 3.36Å; Q60-K64 PolarHBondContact O-N 3.19Å |
| 61 | C | 91.9 | Very high | 84.5 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 172.5 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | Q57 A58 K59 N65 C159 L160 | Q57-C61 PolarHBondContact O-N 3.23Å; Q57-C61 VanDerWaalsContact O-N 3.15Å; Q57-C61 PolarHBondContact O-SG 2.88Å; A58-C61 WeakPolarHBondContact O-CB 3.37Å; A58-C61 PolarHBondContact O-N 3.34Å; K59-C61 VanDerWaalsContact C-N 3.26Å; K59-C61 PolarHBondContact O-N 3.15Å; C61-N65 PolarHBondContact O-ND2 2.03Å; C61-C159 WeakPolarHBondContact CA-SG 3.16Å; C61-C159 HydrophobicContact CB-CB 3.65Å; C61-C159 WeakPolarHBondContact CB-SG 3.1Å; C61-C159 WeakPolarHBondContact SG-CB 3.39Å; C61-C159 PolarHBondContact SG-O 2.85Å; C61-C159 CovalentContact SG-SG 2.04Å; C61-C159 PolarHBondContact SG-SG 3.47Å; C61-L160 HydrophobicContact CB-CD2 4.13Å; C61-L160 HydrophobicContact CB-CG 4.44Å |
| 62 | F | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.4 | -47.1 | 177.5 | -78 | -105.5 | 0 | 0 | 0 | 110.7 | A58 K59 Q60 K64 N65 H66 C67 T69 F74 Y138 V141 L142 V147 C148 V156 L160 | A58-F62 VanDerWaalsContact O-CD2 3.28Å; A58-F62 WeakPolarHBondContact O-CD2 3.4Å; K59-F62 WeakPolarHBondContact O-CB 3.39Å; K59-F62 PolarHBondContact O-N 3.46Å; Q60-F62 VanDerWaalsContact C-N 3.26Å; Q60-F62 PolarHBondContact O-N 2.9Å; F62-K64 PolarHBondContact O-N 2.85Å; F62-N65 CarbonylContact O-C 3.47Å; F62-N65 PolarHBondContact O-N 2.78Å; F62-N65 VanDerWaalsContact O-N 3.12Å; F62-H66 PolarHBondContact O-N 3.21Å; F62-C67 HydrophobicContact CB-CB 3.82Å; F62-C67 HydrophobicContact CD1-CB 3.69Å; F62-C67 HydrophobicContact CG-CB 4.19Å; F62-C67 WeakPolarHBondContact O-CB 3.07Å; F62-C67 PolarHBondContact O-N 3.46Å; F62-T69 HydrophobicContact CB-CG2 3.61Å; F62-F74 HydrophobicContact CB-CE1 4.05Å; F62-F74 HydrophobicContact CB-CZ 3.99Å; F62-F74 HydrophobicContact CD1-CE1 4.31Å; F62-F74 HydrophobicContact CD1-CE2 4.34Å; F62-F74 AromaticContact CD1-CZ 3.51Å; F62-F74 HydrophobicContact CD1-CZ 3.51Å; F62-F74 AromaticContact CD2-CE1 3.84Å; F62-F74 HydrophobicContact CD2-CE1 3.84Å; F62-F74 AromaticContact CD2-CZ 3.78Å; F62-F74 HydrophobicContact CD2-CZ 3.78Å; F62-F74 AromaticContact CE1-CZ 3.87Å; F62-F74 HydrophobicContact CE1-CZ 3.87Å; F62-F74 HydrophobicContact CE2-CE1 4.38Å; F62-F74 HydrophobicContact CE2-CZ 4.12Å; F62-F74 AromaticContact CG-CE1 3.81Å; F62-F74 HydrophobicContact CG-CE1 3.81Å; F62-F74 AromaticContact CG-CZ 3.47Å; F62-F74 HydrophobicContact CG-CZ 3.47Å; F62-F74 VanDerWaalsContact CG-CZ 3.47Å; F62-F74 HydrophobicContact CZ-CZ 4.16Å; F62-Y138 HydrophobicContact CD2-CD1 4.06Å; F62-Y138 AromaticContact CE2-CD1 3.58Å; F62-Y138 HydrophobicContact CE2-CD1 3.58Å; F62-Y138 HydrophobicContact CE2-CG 4.14Å; F62-Y138 HydrophobicContact CZ-CD1 4.21Å; F62-Y138 WeakPolarHBondContact CZ-O 3.49Å; F62-V141 HydrophobicContact CE1-CG2 4.06Å; F62-V141 HydrophobicContact CZ-CG2 4.09Å; F62-L142 HydrophobicContact CE1-CD1 4.33Å; F62-L142 HydrophobicContact CZ-CB 4.41Å; F62-V147 HydrophobicContact CD1-CG1 3.91Å; F62-V147 HydrophobicContact CE1-CG1 3.79Å; F62-C148 WeakPolarHBondContact CD1-SG 3.48Å; F62-C148 VanDerWaalsContact CE1-SG 3.53Å; F62-V156 HydrophobicContact CD1-CG1 4.43Å; F62-V156 HydrophobicContact CD2-CG1 3.99Å; F62-V156 HydrophobicContact CE1-CG1 4.21Å; F62-V156 HydrophobicContact CE2-CG1 3.75Å; F62-V156 HydrophobicContact CG-CG1 4.33Å; F62-V156 HydrophobicContact CZ-CG1 3.86Å; F62-L160 HydrophobicContact CE2-CD1 3.89Å; F62-L160 HydrophobicContact CE2-CD2 4.21Å; F62-L160 HydrophobicContact CE2-CG 4.44Å; F62-L160 HydrophobicContact CZ-CD1 4.28Å |
| 63 | E | 92.8 | Very high | 83.6 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | -177.6 | -66.6 | 176 | 164.6 | 0 | 0 | 112.3 | K59 Q60 N65 H66 T69 | K59-E63 VanDerWaalsContact CE-OE1 3.22Å; K59-E63 WeakPolarHBondContact CE-OE1 3.02Å; K59-E63 HydrophobicContact CG-CG 4.38Å; K59-E63 IonicContact NZ-OE1 2.66Å; K59-E63 PolarHBondContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact O-N 3.3Å; Q60-E63 PolarHBondContact O-N 3.41Å; E63-N65 PolarHBondContact O-N 3.36Å; E63-H66 PolarHBondContact O-N 2.9Å; E63-H66 VanDerWaalsContact O-N 3.07Å; E63-T69 HydrophobicContact CG-CG2 3.68Å; E63-T69 PolarHBondContact OE1-OG1 2.82Å |
| 64 | K | 93.7 | Very high | 83.1 | Confident | 171 Ų | 171 | 58.5 Ų | 58.5 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26 | 177.1 | -176.2 | 176.3 | 178 | -178.7 | 0 | 113.1 | Q60 F62 | Q60-K64 VanDerWaalsContact O-CB 3.23Å; Q60-K64 WeakPolarHBondContact O-CB 3.36Å; Q60-K64 PolarHBondContact O-N 3.19Å; F62-K64 PolarHBondContact O-N 2.85Å |
| 65 | N | 91.1 | Very high | 82.4 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 21.2 | 179.5 | -67.1 | -79 | 0 | 0 | 0 | 112.1 | C61 F62 E63 C67 V152 Q155 V156 | C61-N65 PolarHBondContact O-ND2 2.03Å; F62-N65 CarbonylContact O-C 3.47Å; F62-N65 PolarHBondContact O-N 2.78Å; F62-N65 VanDerWaalsContact O-N 3.12Å; E63-N65 PolarHBondContact O-N 3.36Å; N65-C67 PolarHBondContact O-N 2.92Å; N65-C67 VanDerWaalsContact O-N 3.12Å; N65-V152 HydrophobicContact CB-CB 4.2Å; N65-Q155 WeakPolarHBondContact OD1-CB 3.41Å; N65-V156 HydrophobicContact CB-CG2 3.64Å |
| 66 | H | 90.9 | Very high | 81 | Confident | 170 Ų | 170 | 63.6 Ų | 63.6 | 79% | 0.787 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 26.1 | 177.3 | -51.8 | -66.9 | 0 | 0 | 0 | 114.7 | F62 E63 | F62-H66 PolarHBondContact O-N 3.21Å; E63-H66 PolarHBondContact O-N 2.9Å; E63-H66 VanDerWaalsContact O-N 3.07Å |
| 67 | C | 90.9 | Very high | 79.1 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | trans | -75.1 | 150.6 | 172.3 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | F62 N65 T69 V147 C148 | F62-C67 HydrophobicContact CB-CB 3.82Å; F62-C67 HydrophobicContact CD1-CB 3.69Å; F62-C67 HydrophobicContact CG-CB 4.19Å; F62-C67 WeakPolarHBondContact O-CB 3.07Å; F62-C67 PolarHBondContact O-N 3.46Å; N65-C67 PolarHBondContact O-N 2.92Å; N65-C67 VanDerWaalsContact O-N 3.12Å; C67-T69 PolarHBondContact O-N 2.87Å; C67-V147 CarbonylContact C-O 3.42Å; C67-V147 WeakPolarHBondContact CA-O 3.37Å; C67-V147 WeakPolarHBondContact CB-O 3.4Å; C67-C148 HydrophobicContact CB-CB 4.16Å; C67-C148 WeakPolarHBondContact CB-SG 3.44Å; C67-C148 WeakPolarHBondContact SG-CB 3.4Å; C67-C148 CovalentContact SG-SG 2.04Å; C67-C148 PolarHBondContact SG-SG 3.21Å | ||
| 68 | N | 87.5 | Confident | 76.9 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 39% | 0.39 | 37% | 0.371 | S | S | . | . | trans | -71.4 | 116.2 | 173.7 | -175.6 | 6.8 | 0 | 0 | 0 | 111.1 | T70 V147 | N68-T70 WeakPolarHBondContact OD1-CB 3.36Å; N68-T70 PolarHBondContact OD1-N 3.3Å; N68-T70 PolarHBondContact OD1-OG1 3.44Å; N68-V147 PolarHBondContact N-O 2.95Å | ||
| 69 | T | 85 | Confident | 74.8 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | trans | -108 | 10.2 | 175.6 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | K59 F62 E63 C67 F74 | K59-T69 HydrophobicContact CG-CG2 4.42Å; F62-T69 HydrophobicContact CB-CG2 3.61Å; E63-T69 HydrophobicContact CG-CG2 3.68Å; E63-T69 PolarHBondContact OE1-OG1 2.82Å; C67-T69 PolarHBondContact O-N 2.87Å; T69-F74 HydrophobicContact CG2-CD1 3.98Å; T69-F74 HydrophobicContact CG2-CD2 4.3Å; T69-F74 HydrophobicContact CG2-CE1 3.88Å; T69-F74 HydrophobicContact CG2-CE2 4.23Å; T69-F74 HydrophobicContact CG2-CG 4.2Å; T69-F74 HydrophobicContact CG2-CZ 4.04Å; T69-F74 WeakPolarHBondContact O-CB 3.41Å | ||
| 70 | T | 81.6 | Confident | 72.5 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 69% | 0.693 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -80.7 | 121.5 | 173.6 | 65.4 | 0 | 0 | 0 | 0 | 109.7 | N68 | N68-T70 WeakPolarHBondContact OD1-CB 3.36Å; N68-T70 PolarHBondContact OD1-N 3.3Å; N68-T70 PolarHBondContact OD1-OG1 3.44Å |
| 71 | G | 69.2 | Low | 70.4 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 99.8 | 179.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | F74 S75 | G71-F74 PolarHBondContact O-N 3.33Å; G71-S75 VanDerWaalsContact C-OG 3.3Å; G71-S75 WeakPolarHBondContact CA-OG 2.85Å; G71-S75 PolarHBondContact N-OG 3.31Å; G71-S75 VanDerWaalsContact N-OG 3.11Å; G71-S75 PolarHBondContact O-N 2.85Å; G71-S75 PolarHBondContact O-OG 3.41Å |
| 72 | P | 58.7 | Low | 68.4 | Low | 92 Ų | 92 | 74.7 Ų | 74.7 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 140.1 | 176.7 | -21.6 | 32.9 | 0 | 0 | 0 | 111.5 | ||
| 73 | P | 61.9 | Low | 66.7 | Low | 35 Ų | 35 | 76.6 Ų | 76.6 | 23% | 0.227 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92 | 4.5 | 8 | 37.2 | -39.3 | 0 | 0 | 0 | 114.5 | K137 V141 | P73-K137 HydrophobicContact CB-CB 4.24Å; P73-K137 HydrophobicContact CB-CD 4.3Å; P73-K137 HydrophobicContact CG-CB 4.47Å; P73-V141 VanDerWaalsContact CD-CG1 3.44Å; P73-V141 HydrophobicContact CG-CG1 3.87Å; P73-V141 HydrophobicContact CG-CG2 3.91Å |
| 74 | F | 68.7 | Low | 65.1 | Low | 27 Ų | 27 | 78.2 Ų | 78.2 | 12% | 0.118 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -28.3 | -177.8 | -55.3 | -84.6 | 0 | 0 | 0 | 112.3 | K59 F62 T69 G71 Y138 V141 V147 | K59-F74 HydrophobicContact CB-CD1 4.01Å; K59-F74 HydrophobicContact CB-CE1 4.36Å; K59-F74 HydrophobicContact CD-CB 4.47Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CG-CD1 3.79Å; K59-F74 HydrophobicContact CG-CE1 4.37Å; F62-F74 HydrophobicContact CB-CE1 4.05Å; F62-F74 HydrophobicContact CB-CZ 3.99Å; F62-F74 HydrophobicContact CD1-CE1 4.31Å; F62-F74 HydrophobicContact CD1-CE2 4.34Å; F62-F74 AromaticContact CD1-CZ 3.51Å; F62-F74 HydrophobicContact CD1-CZ 3.51Å; F62-F74 AromaticContact CD2-CE1 3.84Å; F62-F74 HydrophobicContact CD2-CE1 3.84Å; F62-F74 AromaticContact CD2-CZ 3.78Å; F62-F74 HydrophobicContact CD2-CZ 3.78Å; F62-F74 AromaticContact CE1-CZ 3.87Å; F62-F74 HydrophobicContact CE1-CZ 3.87Å; F62-F74 HydrophobicContact CE2-CE1 4.38Å; F62-F74 HydrophobicContact CE2-CZ 4.12Å; F62-F74 AromaticContact CG-CE1 3.81Å; F62-F74 HydrophobicContact CG-CE1 3.81Å; F62-F74 AromaticContact CG-CZ 3.47Å; F62-F74 HydrophobicContact CG-CZ 3.47Å; F62-F74 VanDerWaalsContact CG-CZ 3.47Å; F62-F74 HydrophobicContact CZ-CZ 4.16Å; T69-F74 HydrophobicContact CG2-CD1 3.98Å; T69-F74 HydrophobicContact CG2-CD2 4.3Å; T69-F74 HydrophobicContact CG2-CE1 3.88Å; T69-F74 HydrophobicContact CG2-CE2 4.23Å; T69-F74 HydrophobicContact CG2-CG 4.2Å; T69-F74 HydrophobicContact CG2-CZ 4.04Å; T69-F74 WeakPolarHBondContact O-CB 3.41Å; G71-F74 PolarHBondContact O-N 3.33Å; F74-Y138 HydrophobicContact CD1-CD1 4.33Å; F74-Y138 AromaticContact CD1-CE1 3.65Å; F74-Y138 HydrophobicContact CD1-CE1 3.65Å; F74-Y138 AromaticContact CE1-CD1 3.55Å; F74-Y138 HydrophobicContact CE1-CD1 3.55Å; F74-Y138 AromaticContact CE1-CE1 3.29Å; F74-Y138 HydrophobicContact CE1-CE1 3.29Å; F74-Y138 AromaticContact CZ-CD1 3.91Å; F74-Y138 HydrophobicContact CZ-CD1 3.91Å; F74-Y138 HydrophobicContact CZ-CE1 4.07Å; F74-V141 HydrophobicContact CE2-CG2 4.28Å; F74-V141 HydrophobicContact CZ-CG2 4.35Å; F74-V147 HydrophobicContact CE2-CG1 4.29Å |
| 75 | S | 61.8 | Low | 63.7 | Low | 51 Ų | 51 | 76.1 Ų | 76.1 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -76.7 | 143.9 | 170.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | G71 G77 | G71-S75 VanDerWaalsContact C-OG 3.3Å; G71-S75 WeakPolarHBondContact CA-OG 2.85Å; G71-S75 PolarHBondContact N-OG 3.31Å; G71-S75 VanDerWaalsContact N-OG 3.11Å; G71-S75 PolarHBondContact O-N 2.85Å; G71-S75 PolarHBondContact O-OG 3.41Å; S75-G77 PolarHBondContact O-N 2.95Å |
| 76 | P | 49 | Very low | 62.6 | Low | 142 Ų | 142 | 81 Ų | 81 | 92% | 0.922 | 48% | 0.475 | S | S | * | . | trans | -61.4 | 5.9 | 175.5 | -21.8 | 31.7 | 0 | 0 | 0 | 116 | S78 | P76-S78 PolarHBondContact O-N 3.23Š| ||
| 77 | G | 43.4 | Very low | 61.6 | Low | 48 Ų | 48 | 73.3 Ų | 73.3 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | trans | -64.7 | 130.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S75 S79 | S75-G77 PolarHBondContact O-N 2.95Å; G77-S79 PolarHBondContact O-N 3.28Å | ||
| 78 | S | 39.3 | Very low | 60.6 | Low | 114 Ų | 114 | 75.4 Ų | 75.4 | 80% | 0.797 | 45% | 0.448 | S | S | * | . | trans | -57.2 | 103.8 | 172.4 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | P76 G80 | P76-S78 PolarHBondContact O-N 3.23Å; S78-G80 PolarHBondContact O-N 3.29Å | ||
| 79 | S | 42.3 | Very low | 59.9 | Low | 49 Ų | 49 | 77.3 Ų | 77.3 | 34% | 0.343 | 46% | 0.455 | S | S | . | . | trans | -60.1 | 96.6 | 161.4 | 57.7 | 0 | 0 | 0 | 0 | 106.8 | G77 H81 K137 | G77-S79 PolarHBondContact O-N 3.28Å; S79-H81 PolarHBondContact O-N 2.82Å; S79-K137 PolarHBondContact OG-NZ 3.14Å | ||
| 80 | G | 39.5 | Very low | 59.5 | Low | 72 Ų | 72 | 79.7 Ų | 79.7 | 74% | 0.742 | 46% | 0.464 | S | S | * | . | trans | -71.5 | 61.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S78 | S78-G80 PolarHBondContact O-N 3.29Š| ||
| 81 | H | 47.6 | Very low | 59.4 | Low | 91 Ų | 91 | 75 Ų | 75 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | trans | -75.5 | 129.4 | 171.5 | -64.4 | -57 | 0 | 0 | 0 | 109.6 | S79 C83 | S79-H81 PolarHBondContact O-N 2.82Å; H81-C83 PolarHBondContact O-N 2.89Å | ||
| 82 | Q | 48.5 | Very low | 59.8 | Low | 160 Ų | 160 | 74.1 Ų | 74.1 | 75% | 0.748 | 43% | 0.426 | S | S | * | . | trans | -71.1 | 69.8 | 171.5 | -68 | -178.3 | -7.8 | 0 | 0 | 109.7 | K84 | Q82-K84 PolarHBondContact O-N 3.49Å; Q82-K84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | C | 57.8 | Low | 60.9 | Low | 39 Ų | 39 | 75.8 Ų | 75.8 | 26% | 0.264 | 43% | 0.426 | S | S | . | . | trans | -61 | 112.9 | 157.8 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | H81 K85 C226 | H81-C83 PolarHBondContact O-N 2.89Å; C83-K85 PolarHBondContact O-N 2.89Å; C83-C226 WeakPolarHBondContact CA-SG 3.12Å; C83-C226 HydrophobicContact CB-CB 3.79Å; C83-C226 WeakPolarHBondContact CB-SG 3.32Å; C83-C226 WeakPolarHBondContact SG-CB 3.48Å; C83-C226 CovalentContact SG-SG 2.03Å; C83-C226 PolarHBondContact SG-SG 3.32Å | ||
| 84 | K | 59.6 | Low | 62 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 48% | 0.478 | 43% | 0.433 | S | S | . | . | trans | -71.7 | 78.5 | 169.9 | -63.9 | -174.3 | -169 | 161.3 | 0 | 108.3 | Q82 Q86 V87 E222 | Q82-K84 PolarHBondContact O-N 3.49Å; Q82-K84 VanDerWaalsContact O-N 3.12Å; K84-Q86 PolarHBondContact O-N 3.47Å; K84-V87 HydrophobicContact CB-CG2 4.01Å; K84-V87 PolarHBondContact O-N 3.42Å; K84-E222 IonicContact NZ-OE1 3.53Å | ||
| 85 | K | 64 | Low | 62.7 | Low | 127 Ų | 127 | 77.1 Ų | 77.1 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -50.2 | -32.8 | 175.3 | -67.8 | -177.5 | -179.3 | 178.3 | 0 | 111.3 | C83 V87 F88 E89 | C83-K85 PolarHBondContact O-N 2.89Å; K85-V87 PolarHBondContact O-N 2.86Å; K85-F88 PolarHBondContact O-N 3.36Å; K85-E89 WeakPolarHBondContact O-CG 3.47Å; K85-E89 PolarHBondContact O-N 3Å |
| 86 | Q | 67.1 | Low | 63.7 | Low | 134 Ų | 134 | 76.5 Ų | 76.5 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -48.4 | -38 | 172 | -69.1 | 175.3 | -13.5 | 0 | 0 | 113.7 | K84 F88 E89 E90 | K84-Q86 PolarHBondContact O-N 3.47Å; Q86-F88 VanDerWaalsContact C-N 3.32Å; Q86-F88 PolarHBondContact O-N 3.19Å; Q86-E89 PolarHBondContact O-N 3.27Å; Q86-E90 WeakPolarHBondContact O-CB 3.34Å; Q86-E90 VanDerWaalsContact O-CG 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.37Å; Q86-E90 PolarHBondContact O-N 2.99Å |
| 87 | V | 69.8 | Low | 65.5 | Low | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 179.1 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | K84 K85 L91 Y219 E222 | K84-V87 HydrophobicContact CB-CG2 4.01Å; K84-V87 PolarHBondContact O-N 3.42Å; K85-V87 PolarHBondContact O-N 2.86Å; V87-L91 PolarHBondContact O-N 3.22Å; V87-L91 VanDerWaalsContact O-N 3.12Å; V87-Y219 HydrophobicContact CG1-CD1 3.83Å; V87-Y219 HydrophobicContact CG1-CE1 3.69Å; V87-E222 HydrophobicContact CB-CB 4.43Å; V87-E222 HydrophobicContact CB-CG 4.24Å; V87-E222 HydrophobicContact CG1-CB 4.16Å; V87-E222 HydrophobicContact CG1-CG 4.05Å; V87-E222 HydrophobicContact CG2-CG 3.93Å |
| 88 | F | 70.8 | Confident | 67.5 | Low | 52 Ų | 52 | 74 Ų | 74 | 23% | 0.228 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -79.8 | -29.5 | 175.9 | -64 | -74.7 | 0 | 0 | 0 | 111.9 | K85 Q86 G92 L223 | K85-F88 PolarHBondContact O-N 3.36Å; Q86-F88 VanDerWaalsContact C-N 3.32Å; Q86-F88 PolarHBondContact O-N 3.19Å; F88-G92 PolarHBondContact O-N 2.84Å; F88-L223 HydrophobicContact CZ-CB 4.2Å; F88-L223 HydrophobicContact CZ-CD1 4.37Å |
| 89 | E | 71.9 | Confident | 69.7 | Low | 114 Ų | 114 | 68.5 Ų | 68.5 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 171.2 | -68.7 | 168.3 | 176.9 | 0 | 0 | 111.1 | K85 Q86 G92 Q93 | K85-E89 WeakPolarHBondContact O-CG 3.47Å; K85-E89 PolarHBondContact O-N 3Å; Q86-E89 PolarHBondContact O-N 3.27Å; E89-G92 WeakPolarHBondContact O-CA 3.25Å; E89-G92 PolarHBondContact O-N 3.4Å; E89-G92 VanDerWaalsContact O-N 3.13Å; E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 3.32Å |
| 90 | E | 76.5 | Confident | 71.7 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 172 | -78 | 173.5 | -168.2 | 0 | 0 | 111.5 | Q86 G92 Q93 K94 K218 | Q86-E90 WeakPolarHBondContact O-CB 3.34Å; Q86-E90 VanDerWaalsContact O-CG 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.37Å; Q86-E90 PolarHBondContact O-N 2.99Å; E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 2.97Å; E90-Q93 PolarHBondContact O-N 2.89Å; E90-K94 WeakPolarHBondContact O-CG 3.3Å; E90-K94 PolarHBondContact O-N 3.46Å; E90-K218 IonicContact OE2-NZ 2.62Å; E90-K218 PolarHBondContact OE2-NZ 3.49Å |
| 91 | L | 79.9 | Confident | 73.7 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 174.3 | 175 | 62.2 | 0 | 0 | 0 | 110.3 | V87 Q93 K94 V95 Q211 L212 Y219 | V87-L91 PolarHBondContact O-N 3.22Å; V87-L91 VanDerWaalsContact O-N 3.12Å; L91-Q93 PolarHBondContact O-N 3.45Å; L91-K94 PolarHBondContact O-N 3.13Å; L91-V95 HydrophobicContact CD1-CG2 4.08Å; L91-V95 HydrophobicContact CG-CG2 4.47Å; L91-V95 VanDerWaalsContact O-CG2 3.29Å; L91-V95 WeakPolarHBondContact O-CG2 3.38Å; L91-V95 PolarHBondContact O-N 2.9Å; L91-Q211 HydrophobicContact CD1-CB 3.61Å; L91-Q211 HydrophobicContact CD1-CG 4.33Å; L91-L212 HydrophobicContact CD1-CD2 4.45Å; L91-L212 HydrophobicContact CD1-CG 4.44Å; L91-L212 HydrophobicContact CD2-CD2 3.87Å; L91-L212 HydrophobicContact CD2-CG 4.45Å; L91-Y219 HydrophobicContact CB-CE1 3.84Å; L91-Y219 HydrophobicContact CD1-CE1 4.38Å; L91-Y219 HydrophobicContact CD1-CE2 4.44Å; L91-Y219 HydrophobicContact CD2-CD1 4.43Å; L91-Y219 HydrophobicContact CD2-CE1 4.02Å; L91-Y219 HydrophobicContact CG-CE1 4.29Å |
| 92 | G | 78.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F88 E89 E90 V95 E96 F108 | F88-G92 PolarHBondContact O-N 2.84Å; E89-G92 WeakPolarHBondContact O-CA 3.25Å; E89-G92 PolarHBondContact O-N 3.4Å; E89-G92 VanDerWaalsContact O-N 3.13Å; E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 2.97Å; G92-V95 PolarHBondContact O-N 2.85Å; G92-E96 WeakPolarHBondContact O-CB 3.25Å; G92-E96 PolarHBondContact O-N 3.08Å; G92-F108 VanDerWaalsContact CA-CG 3.42Å; G92-F108 WeakPolarHBondContact O-CB 3.29Å; G92-F108 WeakPolarHBondContact O-CG 3.39Å |
| 93 | Q | 81.4 | Confident | 76.8 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 59% | 0.593 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 176.4 | -71.5 | 173.9 | -8.3 | 0 | 0 | 112.1 | E89 E90 L91 V95 E96 T97 | E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 3.32Å; E90-Q93 PolarHBondContact O-N 2.89Å; L91-Q93 PolarHBondContact O-N 3.45Å; Q93-V95 PolarHBondContact O-N 3.32Å; Q93-E96 WeakPolarHBondContact O-CB 3.15Å; Q93-E96 PolarHBondContact O-N 2.97Å; Q93-T97 PolarHBondContact O-N 2.66Å; Q93-T97 PolarHBondContact O-OG1 2.98Å |
| 94 | K | 84.5 | Confident | 77.5 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 39% | 0.391 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.2 | -70.7 | -174.3 | -179.1 | -171.5 | 0 | 112.6 | E90 L91 E96 C98 Q211 | E90-K94 WeakPolarHBondContact O-CG 3.3Å; E90-K94 PolarHBondContact O-N 3.46Å; L91-K94 PolarHBondContact O-N 3.13Å; K94-E96 VanDerWaalsContact C-N 3.35Å; K94-C98 WeakPolarHBondContact O-CB 3.47Å; K94-C98 PolarHBondContact O-N 3.35Å; K94-C98 VanDerWaalsContact O-N 3.11Å; K94-Q211 HydrophobicContact CB-CG 3.98Å; K94-Q211 HydrophobicContact CD-CG 4.43Å; K94-Q211 VanDerWaalsContact CD-OE1 3.24Å |
| 95 | V | 83.8 | Confident | 78 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 110 | L91 G92 Q93 C98 V99 F106 F108 V204 C207 A208 | L91-V95 HydrophobicContact CD1-CG2 4.08Å; L91-V95 HydrophobicContact CG-CG2 4.47Å; L91-V95 VanDerWaalsContact O-CG2 3.29Å; L91-V95 WeakPolarHBondContact O-CG2 3.38Å; L91-V95 PolarHBondContact O-N 2.9Å; G92-V95 PolarHBondContact O-N 2.85Å; Q93-V95 PolarHBondContact O-N 3.32Å; V95-C98 PolarHBondContact O-N 3.4Å; V95-V99 HydrophobicContact CG1-CG2 4.08Å; V95-V99 WeakPolarHBondContact O-CB 3.47Å; V95-V99 VanDerWaalsContact O-CG2 3.23Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.23Å; V95-F106 HydrophobicContact CG1-CE1 4.48Å; V95-F108 HydrophobicContact CB-CD2 3.92Å; V95-F108 HydrophobicContact CB-CE2 4.08Å; V95-F108 HydrophobicContact CG1-CD2 3.88Å; V95-F108 HydrophobicContact CG1-CE2 4.11Å; V95-F108 HydrophobicContact CG2-CE2 4.48Å; V95-V204 HydrophobicContact CG1-CG1 4.38Å; V95-C207 HydrophobicContact CG1-CB 4.19Å; V95-A208 HydrophobicContact CG2-CB 3.96Å |
| 96 | E | 81.5 | Confident | 78.4 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -51.4 | 177.3 | -167.7 | 175.3 | 123 | 0 | 0 | 112.3 | G92 Q93 K94 C98 V99 K100 F106 F108 | G92-E96 WeakPolarHBondContact O-CB 3.25Å; G92-E96 PolarHBondContact O-N 3.08Å; Q93-E96 WeakPolarHBondContact O-CB 3.15Å; Q93-E96 PolarHBondContact O-N 2.97Å; K94-E96 VanDerWaalsContact C-N 3.35Å; E96-C98 VanDerWaalsContact C-N 3.34Å; E96-C98 PolarHBondContact O-N 2.98Å; E96-V99 PolarHBondContact O-N 3.1Å; E96-K100 HydrophobicContact CG-CD 4.1Å; E96-K100 HydrophobicContact CG-CG 4.44Å; E96-K100 WeakPolarHBondContact O-CB 3.41Å; E96-K100 VanDerWaalsContact O-CG 3.29Å; E96-K100 WeakPolarHBondContact O-CG 3.23Å; E96-K100 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact OE1-CE 3.3Å; E96-K100 IonicContact OE1-NZ 3.54Å; E96-K100 PolarHBondContact OE1-NZ 2.86Å; E96-F106 HydrophobicContact CB-CD1 4.41Å; E96-F106 HydrophobicContact CB-CE1 4.44Å; E96-F106 HydrophobicContact CG-CD1 4.05Å; E96-F106 HydrophobicContact CG-CE1 4.47Å; E96-F108 HydrophobicContact CB-CB 3.99Å; E96-F108 HydrophobicContact CG-CB 4.49Å; E96-F108 PolarHBondContact OE2-N 3.44Å |
| 97 | T | 87.1 | Confident | 78.4 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 57% | 0.571 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.8 | -46.7 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | Q93 V99 K100 | Q93-T97 PolarHBondContact O-N 2.66Å; Q93-T97 PolarHBondContact O-OG1 2.98Å; T97-V99 PolarHBondContact O-N 3.33Å; T97-K100 PolarHBondContact O-N 2.04Å |
| 98 | C | 86.8 | Confident | 78.1 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 113 | K94 V95 E96 C207 | K94-C98 WeakPolarHBondContact O-CB 3.47Å; K94-C98 PolarHBondContact O-N 3.35Å; K94-C98 VanDerWaalsContact O-N 3.11Å; V95-C98 PolarHBondContact O-N 3.4Å; E96-C98 VanDerWaalsContact C-N 3.34Å; E96-C98 PolarHBondContact O-N 2.98Å; C98-C207 HydrophobicContact CB-CB 3.61Å; C98-C207 WeakPolarHBondContact CB-SG 3.23Å; C98-C207 VanDerWaalsContact SG-CA 3.51Å; C98-C207 WeakPolarHBondContact SG-CB 3.49Å; C98-C207 CovalentContact SG-SG 2.03Å; C98-C207 PolarHBondContact SG-SG 2.85Å |
| 99 | V | 84.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.7 | -32.3 | 179.9 | 176 | 0 | 0 | 0 | 0 | 111.2 | V95 E96 T97 D101 K102 F103 F106 L200 E203 V204 C207 | V95-V99 HydrophobicContact CG1-CG2 4.08Å; V95-V99 WeakPolarHBondContact O-CB 3.47Å; V95-V99 VanDerWaalsContact O-CG2 3.23Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.23Å; E96-V99 PolarHBondContact O-N 3.1Å; T97-V99 PolarHBondContact O-N 3.33Å; V99-D101 PolarHBondContact O-N 2.92Å; V99-K102 PolarHBondContact O-N 3.46Å; V99-K102 VanDerWaalsContact O-N 3.11Å; V99-F103 HydrophobicContact CG1-CB 4.04Å; V99-F103 HydrophobicContact CG1-CD2 4.1Å; V99-F103 HydrophobicContact CG1-CG 4.45Å; V99-F103 PolarHBondContact O-N 2.84Å; V99-F106 HydrophobicContact CB-CB 4.38Å; V99-F106 HydrophobicContact CB-CD1 3.54Å; V99-F106 HydrophobicContact CB-CE1 3.86Å; V99-F106 HydrophobicContact CB-CG 3.94Å; V99-F106 HydrophobicContact CG1-CB 3.71Å; V99-F106 HydrophobicContact CG1-CD1 3.54Å; V99-F106 HydrophobicContact CG1-CD2 3.77Å; V99-F106 HydrophobicContact CG1-CE1 4.02Å; V99-F106 HydrophobicContact CG1-CE2 4.22Å; V99-F106 HydrophobicContact CG1-CG 3.37Å; V99-F106 HydrophobicContact CG1-CZ 4.32Å; V99-F106 HydrophobicContact CG2-CD1 4.26Å; V99-F106 HydrophobicContact CG2-CE1 4.06Å; V99-F106 HydrophobicContact CG2-CZ 4.45Å; V99-L200 HydrophobicContact CG1-CD1 3.66Å; V99-E203 HydrophobicContact CG2-CG 4.45Å; V99-V204 HydrophobicContact CG1-CG2 4.38Å; V99-V204 HydrophobicContact CG2-CB 4.48Å; V99-V204 HydrophobicContact CG2-CG2 3.93Å; V99-C207 HydrophobicContact CG2-CB 3.97Å |
| 100 | K | 84.4 | Confident | 76.7 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 34% | 0.335 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 179.4 | -84.6 | 178 | 172.2 | 171.9 | 0 | 114 | E96 T97 K102 F103 P104 F106 | E96-K100 HydrophobicContact CG-CD 4.1Å; E96-K100 HydrophobicContact CG-CG 4.44Å; E96-K100 WeakPolarHBondContact O-CB 3.41Å; E96-K100 VanDerWaalsContact O-CG 3.29Å; E96-K100 WeakPolarHBondContact O-CG 3.23Å; E96-K100 PolarHBondContact O-N 3.48Å; E96-K100 WeakPolarHBondContact OE1-CE 3.3Å; E96-K100 IonicContact OE1-NZ 3.54Å; E96-K100 PolarHBondContact OE1-NZ 2.86Å; T97-K100 PolarHBondContact O-N 2.04Å; K100-K102 PolarHBondContact O-N 3.47Å; K100-F103 WeakPolarHBondContact CA-O 3.23Å; K100-F103 CarbonylContact O-C 3.54Å; K100-F103 PolarHBondContact O-N 3.18Å; K100-P104 VanDerWaalsContact O-CA 3.3Å; K100-P104 WeakPolarHBondContact O-CA 3.46Å; K100-F106 WeakPolarHBondContact CE-O 3.43Å; K100-F106 HydrophobicContact CG-CB 4.39Å |
| 101 | D | 82.7 | Confident | 75.7 | Confident | 143 Ų | 143 | 49.7 Ų | 49.7 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.1 | 175.9 | -68.7 | -17 | 0 | 0 | 0 | 112.2 | V99 | V99-D101 PolarHBondContact O-N 2.92Š|
| 102 | K | 81.7 | Confident | 74.3 | Confident | 111 Ų | 111 | 51.4 Ų | 51.4 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -24.2 | 179 | -169.3 | 174.7 | 178.4 | 177.7 | 0 | 113.5 | V99 K100 E203 | V99-K102 PolarHBondContact O-N 3.46Å; V99-K102 VanDerWaalsContact O-N 3.11Å; K100-K102 PolarHBondContact O-N 3.47Å; K102-E203 HydrophobicContact CB-CG 4.45Å; K102-E203 HydrophobicContact CD-CG 4.11Å; K102-E203 WeakPolarHBondContact CD-OE2 3.42Å; K102-E203 IonicContact NZ-OE2 2.84Å; K102-E203 PolarHBondContact NZ-OE2 3.47Å |
| 103 | F | 78.6 | Confident | 73 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -133.6 | 77.5 | -176.8 | -68.7 | -85.1 | 0 | 0 | 0 | 110 | A21 V99 K100 G105 F106 L200 E203 | A21-F103 HydrophobicContact CB-CB 3.48Å; A21-F103 VanDerWaalsContact CB-CB 3.48Å; A21-F103 HydrophobicContact CB-CD1 4.04Å; A21-F103 HydrophobicContact CB-CG 4.11Å; V99-F103 HydrophobicContact CG1-CB 4.04Å; V99-F103 HydrophobicContact CG1-CD2 4.1Å; V99-F103 HydrophobicContact CG1-CG 4.45Å; V99-F103 PolarHBondContact O-N 2.84Å; K100-F103 WeakPolarHBondContact CA-O 3.23Å; K100-F103 CarbonylContact O-C 3.54Å; K100-F103 PolarHBondContact O-N 3.18Å; F103-G105 PolarHBondContact O-N 3.4Å; F103-F106 HydrophobicContact CB-CB 4.25Å; F103-F106 VanDerWaalsContact O-CB 3.23Å; F103-F106 WeakPolarHBondContact O-CB 3.3Å; F103-F106 PolarHBondContact O-N 2.03Å; F103-L200 HydrophobicContact CB-CD1 4.23Å; F103-L200 HydrophobicContact CD1-CD1 4.06Å; F103-L200 HydrophobicContact CD2-CD1 3.7Å; F103-L200 HydrophobicContact CE1-CB 3.98Å; F103-L200 HydrophobicContact CE1-CD1 4.34Å; F103-L200 HydrophobicContact CE2-CB 4.15Å; F103-L200 HydrophobicContact CE2-CD1 4Å; F103-L200 HydrophobicContact CG-CD1 3.75Å; F103-L200 HydrophobicContact CZ-CB 3.79Å; F103-L200 HydrophobicContact CZ-CD1 4.31Å; F103-E203 HydrophobicContact CD2-CB 4.33Å; F103-E203 HydrophobicContact CD2-CG 4.3Å; F103-E203 HydrophobicContact CE2-CB 3.98Å; F103-E203 HydrophobicContact CE2-CG 4.28Å | ||
| 104 | P | 72.7 | Confident | 71.3 | Confident | 98 Ų | 98 | 54 Ų | 54 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.7 | -167.5 | -29.8 | 36.7 | 0 | 0 | 0 | 115.9 | K100 | K100-P104 VanDerWaalsContact O-CA 3.3Å; K100-P104 WeakPolarHBondContact O-CA 3.46Å |
| 105 | G | 70 | Confident | 69.5 | Low | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -93.6 | 15.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S22 F103 | S22-G105 VanDerWaalsContact OG-CA 3.3Å; S22-G105 WeakPolarHBondContact OG-CA 3.49Å; F103-G105 PolarHBondContact O-N 3.4Å |
| 106 | F | 71.4 | Confident | 67.5 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -71.1 | 138.8 | 176.3 | -177.9 | -105.9 | 0 | 0 | 0 | 111.7 | N19 A21 V95 E96 V99 K100 F103 F108 L111 L200 V204 | N19-F106 WeakPolarHBondContact O-CE2 3.49Å; A21-F106 VanDerWaalsContact CB-CA 3.46Å; A21-F106 HydrophobicContact CB-CB 3.56Å; A21-F106 HydrophobicContact CB-CD2 4.09Å; A21-F106 HydrophobicContact CB-CG 4.32Å; V95-F106 HydrophobicContact CG1-CE1 4.48Å; E96-F106 HydrophobicContact CB-CD1 4.41Å; E96-F106 HydrophobicContact CB-CE1 4.44Å; E96-F106 HydrophobicContact CG-CD1 4.05Å; E96-F106 HydrophobicContact CG-CE1 4.47Å; V99-F106 HydrophobicContact CB-CB 4.38Å; V99-F106 HydrophobicContact CB-CD1 3.54Å; V99-F106 HydrophobicContact CB-CE1 3.86Å; V99-F106 HydrophobicContact CB-CG 3.94Å; V99-F106 HydrophobicContact CG1-CB 3.71Å; V99-F106 HydrophobicContact CG1-CD1 3.54Å; V99-F106 HydrophobicContact CG1-CD2 3.77Å; V99-F106 HydrophobicContact CG1-CE1 4.02Å; V99-F106 HydrophobicContact CG1-CE2 4.22Å; V99-F106 HydrophobicContact CG1-CG 3.37Å; V99-F106 HydrophobicContact CG1-CZ 4.32Å; V99-F106 HydrophobicContact CG2-CD1 4.26Å; V99-F106 HydrophobicContact CG2-CE1 4.06Å; V99-F106 HydrophobicContact CG2-CZ 4.45Å; K100-F106 WeakPolarHBondContact CE-O 3.43Å; K100-F106 HydrophobicContact CG-CB 4.39Å; F103-F106 HydrophobicContact CB-CB 4.25Å; F103-F106 VanDerWaalsContact O-CB 3.23Å; F103-F106 WeakPolarHBondContact O-CB 3.3Å; F103-F106 PolarHBondContact O-N 2.03Å; F106-F108 HydrophobicContact CE1-CB 4.29Å; F106-L111 HydrophobicContact CE2-CD2 4.09Å; F106-L111 HydrophobicContact CE2-CG 4.41Å; F106-L111 HydrophobicContact CZ-CD1 3.94Å; F106-L111 HydrophobicContact CZ-CD2 4.19Å; F106-L111 HydrophobicContact CZ-CG 4.13Å; F106-L200 HydrophobicContact CD2-CD1 3.9Å; F106-L200 HydrophobicContact CE2-CD1 4.24Å; F106-V204 HydrophobicContact CE2-CG2 3.8Å; F106-V204 HydrophobicContact CZ-CG2 3.75Å | ||
| 107 | T | 67.6 | Low | 65.5 | Low | 41 Ų | 41 | 60.3 Ų | 60.3 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | trans | -134 | 124.9 | 172.7 | 10.5 | 0 | 0 | 0 | 0 | 109.6 | S109 D110 | T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 2.91Å; T107-D110 WeakPolarHBondContact CB-OD2 3.3Å; T107-D110 WeakPolarHBondContact O-CB 3.44Å; T107-D110 PolarHBondContact O-N 3.11Å; T107-D110 PolarHBondContact OG1-OD2 3.36Å | ||
| 108 | F | 63.3 | Low | 63.1 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -68.7 | -31.6 | -178.7 | -174.9 | -88.3 | 0 | 0 | 0 | 111.5 | V15 G92 V95 E96 F106 D110 L111 F112 | V15-F108 HydrophobicContact CG1-CE2 4.12Å; V15-F108 HydrophobicContact CG2-CE2 3.96Å; V15-F108 HydrophobicContact CG2-CZ 3.66Å; G92-F108 VanDerWaalsContact CA-CG 3.42Å; G92-F108 WeakPolarHBondContact O-CB 3.29Å; G92-F108 WeakPolarHBondContact O-CG 3.39Å; V95-F108 HydrophobicContact CB-CD2 3.92Å; V95-F108 HydrophobicContact CB-CE2 4.08Å; V95-F108 HydrophobicContact CG1-CD2 3.88Å; V95-F108 HydrophobicContact CG1-CE2 4.11Å; V95-F108 HydrophobicContact CG2-CE2 4.48Å; E96-F108 HydrophobicContact CB-CB 3.99Å; E96-F108 HydrophobicContact CG-CB 4.49Å; E96-F108 PolarHBondContact OE2-N 3.44Å; F106-F108 HydrophobicContact CE1-CB 4.29Å; F108-D110 PolarHBondContact O-N 3.33Å; F108-L111 HydrophobicContact CD2-CD1 3.4Å; F108-L111 VanDerWaalsContact CD2-CD1 3.4Å; F108-L111 HydrophobicContact CE2-CD1 3.6Å; F108-L111 HydrophobicContact CG-CD1 3.97Å; F108-L111 HydrophobicContact CZ-CD1 4.33Å; F108-L111 WeakPolarHBondContact O-CB 3.17Å; F108-L111 PolarHBondContact O-N 3.42Å; F108-L111 VanDerWaalsContact O-N 3.14Å; F108-F112 AromaticContact CD1-CE2 3.85Å; F108-F112 HydrophobicContact CD1-CE2 3.85Å; F108-F112 AromaticContact CE1-CE2 3.73Å; F108-F112 HydrophobicContact CE1-CE2 3.73Å; F108-F112 AromaticContact CE1-CZ 3.98Å; F108-F112 HydrophobicContact CE1-CZ 3.98Å |
| 109 | S | 60.4 | Low | 60.3 | Low | 46 Ų | 46 | 58.7 Ų | 58.7 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -55.4 | -23.5 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | T107 F112 | T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 2.91Å; S109-F112 VanDerWaalsContact O-CD2 3.29Å; S109-F112 WeakPolarHBondContact O-CD2 3.2Å |
| 110 | D | 53.4 | Low | 57.8 | Low | 56 Ų | 56 | 60.4 Ų | 60.4 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -91.2 | -16 | -172.8 | -64.2 | -12.3 | 0 | 0 | 0 | 111.7 | N19 K35 T107 F108 F112 | N19-D110 HydrophobicContact CB-CB 3.99Å; N19-D110 WeakPolarHBondContact CB-O 2.91Å; N19-D110 WeakPolarHBondContact ND2-CB 3.38Å; N19-D110 VanDerWaalsContact OD1-C 3.24Å; N19-D110 VanDerWaalsContact OD1-CB 3.28Å; N19-D110 WeakPolarHBondContact OD1-CB 3.37Å; N19-D110 PolarHBondContact OD1-O 2.82Å; K35-D110 PolarHBondContact NZ-O 3.25Å; T107-D110 WeakPolarHBondContact CB-OD2 3.3Å; T107-D110 WeakPolarHBondContact O-CB 3.44Å; T107-D110 PolarHBondContact O-N 3.11Å; T107-D110 PolarHBondContact OG1-OD2 3.36Å; F108-D110 PolarHBondContact O-N 3.33Å; D110-F112 PolarHBondContact O-N 3.17Å |
| 111 | L | 55.5 | Low | 55.3 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -58.6 | -21.9 | 166.9 | -61 | 172.5 | 0 | 0 | 0 | 112.1 | V14 V15 N19 F106 F108 L113 | V14-L111 CarbonylContact O-C 3.1Å; V14-L111 WeakPolarHBondContact O-CB 3.01Å; V15-L111 HydrophobicContact CG1-CD1 4.18Å; V15-L111 WeakPolarHBondContact O-CD1 3.43Å; V15-L111 WeakPolarHBondContact O-CD2 3.13Å; N19-L111 HydrophobicContact CB-CB 4.34Å; N19-L111 HydrophobicContact CB-CD2 3.48Å; N19-L111 VanDerWaalsContact CB-CD2 3.48Å; N19-L111 HydrophobicContact CB-CG 3.99Å; N19-L111 VanDerWaalsContact CB-N 3.31Å; N19-L111 VanDerWaalsContact N-CD2 3.34Å; F106-L111 HydrophobicContact CE2-CD2 4.09Å; F106-L111 HydrophobicContact CE2-CG 4.41Å; F106-L111 HydrophobicContact CZ-CD1 3.94Å; F106-L111 HydrophobicContact CZ-CD2 4.19Å; F106-L111 HydrophobicContact CZ-CG 4.13Å; F108-L111 HydrophobicContact CD2-CD1 3.4Å; F108-L111 VanDerWaalsContact CD2-CD1 3.4Å; F108-L111 HydrophobicContact CE2-CD1 3.6Å; F108-L111 HydrophobicContact CG-CD1 3.97Å; F108-L111 HydrophobicContact CZ-CD1 4.33Å; F108-L111 WeakPolarHBondContact O-CB 3.17Å; F108-L111 PolarHBondContact O-N 3.42Å; F108-L111 VanDerWaalsContact O-N 3.14Å; L111-L113 PolarHBondContact O-N 2.86Å |
| 112 | F | 50.6 | Low | 53 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -75.3 | 110.8 | 169.7 | -58 | -93.5 | 0 | 0 | 0 | 109 | V14 F108 S109 D110 K114 K116 | V14-F112 HydrophobicContact CG1-CB 4.46Å; V14-F112 HydrophobicContact CG1-CD1 3.17Å; V14-F112 HydrophobicContact CG1-CE1 3.35Å; V14-F112 HydrophobicContact CG1-CG 3.83Å; V14-F112 HydrophobicContact CG1-CZ 4.13Å; F108-F112 AromaticContact CD1-CE2 3.85Å; F108-F112 HydrophobicContact CD1-CE2 3.85Å; F108-F112 AromaticContact CE1-CE2 3.73Å; F108-F112 HydrophobicContact CE1-CE2 3.73Å; F108-F112 AromaticContact CE1-CZ 3.98Å; F108-F112 HydrophobicContact CE1-CZ 3.98Å; S109-F112 VanDerWaalsContact O-CD2 3.29Å; S109-F112 WeakPolarHBondContact O-CD2 3.2Å; D110-F112 PolarHBondContact O-N 3.17Å; F112-K114 PolarHBondContact O-N 2.96Å; F112-K116 HydrophobicContact CB-CG 3.85Å; F112-K116 HydrophobicContact CD1-CB 4.46Å; F112-K116 HydrophobicContact CD1-CG 3.99Å; F112-K116 HydrophobicContact CD2-CG 4.47Å; F112-K116 HydrophobicContact CG-CG 3.85Å |
| 113 | L | 50.8 | Low | 50.6 | Low | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | trans | -47.9 | 140 | 160.3 | -58.4 | 178 | 0 | 0 | 0 | 108 | M38 F42 L111 K115 | M38-L113 HydrophobicContact CB-CD2 4.17Å; F42-L113 HydrophobicContact CB-CD1 3.52Å; F42-L113 HydrophobicContact CD1-CB 4.3Å; F42-L113 HydrophobicContact CD1-CD1 3.95Å; F42-L113 HydrophobicContact CD2-CD1 3.85Å; F42-L113 HydrophobicContact CE2-CD1 4.5Å; F42-L113 HydrophobicContact CG-CD1 3.52Å; L111-L113 PolarHBondContact O-N 2.86Å; L113-K115 CarbonylContact O-C 3.5Å; L113-K115 WeakPolarHBondContact O-CA 3.44Å; L113-K115 PolarHBondContact O-N 3.3Å | ||
| 114 | K | 46.4 | Very low | 48.2 | Very low | 167 Ų | 167 | 71 Ų | 71 | 73% | 0.726 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -24.9 | -31.6 | -164.1 | -70.9 | -179.5 | 175.9 | 178.6 | 0 | 118.5 | F112 | F112-K114 PolarHBondContact O-N 2.96Š|
| 115 | K | 46.9 | Very low | 46.3 | Very low | 95 Ų | 95 | 67.3 Ų | 67.3 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -98.7 | 102.3 | 171.4 | -63.6 | 171.9 | -176.8 | 152 | 0 | 110.9 | D43 L113 | D43-K115 IonicContact OD1-NZ 2.85Å; D43-K115 PolarHBondContact OD1-NZ 2.79Å; L113-K115 CarbonylContact O-C 3.5Å; L113-K115 WeakPolarHBondContact O-CA 3.44Å; L113-K115 PolarHBondContact O-N 3.3Å |
| 116 | K | 42.1 | Very low | 44.8 | Very low | 106 Ų | 106 | 67 Ų | 67 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | trans | -54.7 | 141.9 | 159.6 | -74.1 | -177.7 | 177.8 | 177.8 | 0 | 109.1 | F112 G118 G119 | F112-K116 HydrophobicContact CB-CG 3.85Å; F112-K116 HydrophobicContact CD1-CB 4.46Å; F112-K116 HydrophobicContact CD1-CG 3.99Å; F112-K116 HydrophobicContact CD2-CG 4.47Å; F112-K116 HydrophobicContact CG-CG 3.85Å; K116-G118 PolarHBondContact O-N 3.28Å; K116-G119 PolarHBondContact O-N 2.81Å | ||
| 117 | P | 38.6 | Very low | 43.4 | Very low | 59 Ų | 59 | 69.6 Ų | 69.6 | 38% | 0.383 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 117.6 | 163.1 | -20.9 | 31 | 0 | 0 | 0 | 109.4 | F126 | P117-F126 HydrophobicContact CG-CD1 4.43Š|
| 118 | G | 36.1 | Very low | 42.2 | Very low | 51 Ų | 51 | 69.6 Ų | 69.6 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | K116 | K116-G118 PolarHBondContact O-N 3.28Š|
| 119 | G | 29.6 | Very low | 41.1 | Very low | 52 Ų | 52 | 70 Ų | 70 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | trans | -96 | 8.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | K116 | K116-G119 PolarHBondContact O-N 2.81Š| ||
| 120 | G | 31.3 | Very low | 40.3 | Very low | 36 Ų | 36 | 68.7 Ų | 68.7 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -71.5 | 141 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K122 | G120-K122 PolarHBondContact O-N 2.82Å; G120-K122 VanDerWaalsContact O-N 3.09Å |
| 121 | K | 32.1 | Very low | 39.8 | Very low | 213 Ų | 213 | 66.3 Ų | 66.3 | 93% | 0.926 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -50.4 | 117.6 | 160.8 | -76.6 | -178.3 | 175.4 | 179.9 | 0 | 107.6 | ||
| 122 | K | 33.2 | Very low | 39.3 | Very low | 215 Ų | 215 | 68 Ų | 68 | 94% | 0.935 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 54 | 86.7 | -178.8 | -65.1 | -174.6 | 176.7 | -178.3 | 0 | 114.7 | G120 G124 | G120-K122 PolarHBondContact O-N 2.82Å; G120-K122 VanDerWaalsContact O-N 3.09Å; K122-G124 PolarHBondContact O-N 3.27Å; K122-G124 VanDerWaalsContact O-N 3.14Å |
| 123 | G | 32.5 | Very low | 39.2 | Very low | 88 Ų | 88 | 70.1 Ų | 70.1 | 91% | 0.907 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 81.8 | -12.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | G125 | G123-G125 PolarHBondContact O-N 2.62Š|
| 124 | G | 27.7 | Very low | 39.6 | Very low | 53 Ų | 53 | 73.3 Ų | 73.3 | 55% | 0.546 | 43% | 0.428 | S | S | . | . | trans | -94.6 | 45.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K122 | K122-G124 PolarHBondContact O-N 3.27Å; K122-G124 VanDerWaalsContact O-N 3.14Å | ||
| 125 | G | 33.9 | Very low | 40 | Very low | 22 Ų | 22 | 65.6 Ų | 65.6 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | trans | -58.1 | 141.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | G123 P127 | G123-G125 PolarHBondContact O-N 2.62Å; G125-P127 WeakPolarHBondContact O-CD 3.34Å | ||
| 126 | F | 38.3 | Very low | 40.7 | Very low | 20 Ų | 20 | 62.8 Ų | 62.8 | 9% | 0.088 | 39% | 0.393 | C | S | . | . | trans | -39.2 | 108.2 | 174 | 172.2 | -131.1 | 0 | 0 | 0 | 110.4 | F42 I46 P117 M128 P129 | F42-F126 HydrophobicContact CE1-CD2 4.11Å; F42-F126 AromaticContact CE1-CE2 3.93Å; F42-F126 HydrophobicContact CE1-CE2 3.93Å; F42-F126 HydrophobicContact CE1-CZ 4.16Å; F42-F126 HydrophobicContact CE2-CE1 4.33Å; F42-F126 HydrophobicContact CE2-CE2 4.1Å; F42-F126 AromaticContact CE2-CZ 3.71Å; F42-F126 HydrophobicContact CE2-CZ 3.71Å; F42-F126 HydrophobicContact CZ-CD1 4.17Å; F42-F126 AromaticContact CZ-CD2 3.95Å; F42-F126 HydrophobicContact CZ-CD2 3.95Å; F42-F126 AromaticContact CZ-CE1 3.61Å; F42-F126 HydrophobicContact CZ-CE1 3.61Å; F42-F126 AromaticContact CZ-CE2 3.41Å; F42-F126 HydrophobicContact CZ-CE2 3.41Å; F42-F126 VanDerWaalsContact CZ-CE2 3.41Å; F42-F126 HydrophobicContact CZ-CG 4.31Å; F42-F126 AromaticContact CZ-CZ 3.21Å; F42-F126 HydrophobicContact CZ-CZ 3.21Å; I46-F126 HydrophobicContact CD1-CD2 3.55Å; I46-F126 HydrophobicContact CD1-CE2 3.72Å; I46-F126 HydrophobicContact CG1-CD2 3.66Å; I46-F126 HydrophobicContact CG1-CE2 3.43Å; I46-F126 VanDerWaalsContact CG1-CE2 3.43Å; P117-F126 HydrophobicContact CG-CD1 4.43Å; F126-M128 HydrophobicContact CD1-CB 4.2Å; F126-M128 HydrophobicContact CD1-CE 4.28Å; F126-M128 HydrophobicContact CD1-CG 3.86Å; F126-M128 HydrophobicContact CD1-SD 3.22Å; F126-M128 WeakPolarHBondContact CD1-SD 3.01Å; F126-M128 HydrophobicContact CE1-CB 3.85Å; F126-M128 HydrophobicContact CE1-CE 3.53Å; F126-M128 HydrophobicContact CE1-CG 3.81Å; F126-M128 HydrophobicContact CE1-SD 3.08Å; F126-M128 WeakPolarHBondContact CE1-SD 3.02Å; F126-M128 HydrophobicContact CZ-CB 4.27Å; F126-M128 HydrophobicContact CZ-CE 4.44Å; F126-M128 HydrophobicContact CZ-SD 4.27Å; F126-M128 PolarHBondContact O-N 2.75Å; F126-P129 HydrophobicContact CZ-CG 4.31Å | ||
| 127 | P | 41.5 | Very low | 41.9 | Very low | 53 Ų | 53 | 60.7 Ų | 60.7 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | trans | -69.5 | 99.6 | 163.3 | 29.4 | -28 | 0 | 0 | 0 | 103.1 | G125 P129 R134 | G125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-P129 VanDerWaalsContact O-N 3.17Å; P127-R134 VanDerWaalsContact CB-NH2 3.32Å | ||
| 128 | M | 42.3 | Very low | 43.4 | Very low | 42 Ų | 42 | 58.5 Ų | 58.5 | 21% | 0.207 | 37% | 0.368 | C | S | . | . | trans | -48.6 | 135.5 | 173.3 | -49 | -83.7 | -50.2 | 0 | 0 | 106.6 | A10 F126 F130 | A10-M128 HydrophobicContact CB-CE 3.69Å; F126-M128 HydrophobicContact CD1-CB 4.2Å; F126-M128 HydrophobicContact CD1-CE 4.28Å; F126-M128 HydrophobicContact CD1-CG 3.86Å; F126-M128 HydrophobicContact CD1-SD 3.22Å; F126-M128 WeakPolarHBondContact CD1-SD 3.01Å; F126-M128 HydrophobicContact CE1-CB 3.85Å; F126-M128 HydrophobicContact CE1-CE 3.53Å; F126-M128 HydrophobicContact CE1-CG 3.81Å; F126-M128 HydrophobicContact CE1-SD 3.08Å; F126-M128 WeakPolarHBondContact CE1-SD 3.02Å; F126-M128 HydrophobicContact CZ-CB 4.27Å; F126-M128 HydrophobicContact CZ-CE 4.44Å; F126-M128 HydrophobicContact CZ-SD 4.27Å; F126-M128 PolarHBondContact O-N 2.75Å; M128-F130 HydrophobicContact CB-CB 4.31Å; M128-F130 HydrophobicContact CB-CD2 3.1Å; M128-F130 HydrophobicContact CB-CE2 3.25Å; M128-F130 HydrophobicContact CB-CG 3.78Å; M128-F130 HydrophobicContact CB-CZ 3.99Å; M128-F130 HydrophobicContact CE-CD2 4.24Å; M128-F130 HydrophobicContact CE-CE1 4.41Å; M128-F130 HydrophobicContact CE-CE2 3.09Å; M128-F130 HydrophobicContact CE-CZ 3.17Å; M128-F130 HydrophobicContact CG-CD2 3.54Å; M128-F130 HydrophobicContact CG-CE2 3.35Å; M128-F130 HydrophobicContact CG-CZ 4.3Å; M128-F130 PolarHBondContact O-N 3.31Å; M128-F130 HydrophobicContact SD-CE2 3.82Å; M128-F130 HydrophobicContact SD-CZ 4.42Å | ||
| 129 | P | 39.3 | Very low | 45.1 | Very low | 27 Ų | 27 | 59.2 Ų | 59.2 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -65 | 13.7 | 179.4 | 28 | -36.1 | 0 | 0 | 0 | 112.3 | L45 F126 P127 G131 Y174 | L45-P129 HydrophobicContact CD2-CG 4.17Å; F126-P129 HydrophobicContact CZ-CG 4.31Å; P127-P129 VanDerWaalsContact O-N 3.17Å; P129-G131 PolarHBondContact O-N 3.31Å; P129-Y174 HydrophobicContact CB-CD2 4.2Å; P129-Y174 HydrophobicContact CB-CE2 4.16Å |
| 130 | F | 45.1 | Very low | 47 | Very low | 17 Ų | 17 | 62 Ų | 62 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | trans | -64.3 | 70.1 | 165.1 | -50 | -41.1 | 0 | 0 | 0 | 110.9 | L7 A10 M128 G132 R133 R134 M171 | L7-F130 HydrophobicContact CD2-CD2 3.8Å; L7-F130 HydrophobicContact CD2-CE2 3.41Å; L7-F130 VanDerWaalsContact CD2-CE2 3.41Å; L7-F130 HydrophobicContact CD2-CZ 4.19Å; L7-F130 HydrophobicContact CG-CD2 4.24Å; L7-F130 HydrophobicContact CG-CE2 4.02Å; L7-F130 HydrophobicContact CG-CZ 4.47Å; A10-F130 HydrophobicContact CB-CE1 4.11Å; A10-F130 HydrophobicContact CB-CE2 3.99Å; A10-F130 HydrophobicContact CB-CZ 3.24Å; M128-F130 HydrophobicContact CB-CB 4.31Å; M128-F130 HydrophobicContact CB-CD2 3.1Å; M128-F130 HydrophobicContact CB-CE2 3.25Å; M128-F130 HydrophobicContact CB-CG 3.78Å; M128-F130 HydrophobicContact CB-CZ 3.99Å; M128-F130 HydrophobicContact CE-CD2 4.24Å; M128-F130 HydrophobicContact CE-CE1 4.41Å; M128-F130 HydrophobicContact CE-CE2 3.09Å; M128-F130 HydrophobicContact CE-CZ 3.17Å; M128-F130 HydrophobicContact CG-CD2 3.54Å; M128-F130 HydrophobicContact CG-CE2 3.35Å; M128-F130 HydrophobicContact CG-CZ 4.3Å; M128-F130 PolarHBondContact O-N 3.31Å; M128-F130 HydrophobicContact SD-CE2 3.82Å; M128-F130 HydrophobicContact SD-CZ 4.42Å; F130-G132 PolarHBondContact O-N 3.03Å; F130-R133 HydrophobicContact CB-CB 3.87Å; F130-R133 PolarHBondContact O-N 3.49Å; F130-R134 PolarHBondContact O-N 3.05Å; F130-M171 HydrophobicContact CD1-CE 3.63Å; F130-M171 HydrophobicContact CD1-SD 4.33Å; F130-M171 HydrophobicContact CE1-CE 3.34Å | ||
| 131 | G | 42.3 | Very low | 49 | Very low | 6 Ų | 6 | 61.5 Ų | 61.5 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -42.6 | -43.7 | 148 | 0 | 0 | 0 | 0 | 0 | 109.1 | P129 R133 R134 F135 | P129-G131 PolarHBondContact O-N 3.31Å; G131-R133 VanDerWaalsContact C-N 3.29Å; G131-R133 PolarHBondContact O-N 2.88Å; G131-R133 VanDerWaalsContact O-N 3.11Å; G131-R134 CarbonylContact O-C 3.25Å; G131-R134 PolarHBondContact O-N 3.43Å; G131-F135 VanDerWaalsContact C-CE2 3.46Å; G131-F135 VanDerWaalsContact O-CB 3.31Å; G131-F135 WeakPolarHBondContact O-CB 2.94Å; G131-F135 WeakPolarHBondContact O-CD2 3.19Å; G131-F135 VanDerWaalsContact O-CG 3.26Å; G131-F135 WeakPolarHBondContact O-CG 3.42Å; G131-F135 PolarHBondContact O-N 3.49Å |
| 132 | G | 44.1 | Very low | 51.2 | Low | 39 Ų | 39 | 51.9 Ų | 51.9 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.7 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | F130 G136 | F130-G132 PolarHBondContact O-N 3.03Å; G132-G136 WeakPolarHBondContact O-CA 3.39Å; G132-G136 PolarHBondContact O-N 3.47Å |
| 133 | R | 49.6 | Very low | 53.2 | Low | 94 Ų | 94 | 51.3 Ų | 51.3 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.7 | -43.5 | 176.2 | -176.6 | -179.5 | 174.2 | -175.9 | -5.7 | 111.1 | F130 G131 G136 K137 C226 | F130-R133 HydrophobicContact CB-CB 3.87Å; F130-R133 PolarHBondContact O-N 3.49Å; G131-R133 VanDerWaalsContact C-N 3.29Å; G131-R133 PolarHBondContact O-N 2.88Å; G131-R133 VanDerWaalsContact O-N 3.11Å; R133-G136 PolarHBondContact O-N 2.85Å; R133-K137 PolarHBondContact O-N 3.17Å; R133-C226 VanDerWaalsContact CZ-O 3.3Å; R133-C226 PolarHBondContact NH2-O 3.37Å |
| 134 | R | 57.8 | Low | 55.3 | Low | 85 Ų | 85 | 50.2 Ų | 50.2 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 178.3 | -58.7 | -165.4 | -179.2 | 177.1 | -10.3 | 110.8 | L55 P127 F130 G131 G136 K137 Y138 | L55-R134 HydrophobicContact CD2-CB 3.39Å; L55-R134 HydrophobicContact CD2-CG 4.23Å; P127-R134 VanDerWaalsContact CB-NH2 3.32Å; F130-R134 PolarHBondContact O-N 3.05Å; G131-R134 CarbonylContact O-C 3.25Å; G131-R134 PolarHBondContact O-N 3.43Å; R134-G136 PolarHBondContact O-N 3.09Å; R134-K137 WeakPolarHBondContact O-CB 3.17Å; R134-K137 PolarHBondContact O-N 2.76Å; R134-K137 VanDerWaalsContact O-N 3.11Å; R134-Y138 WeakPolarHBondContact O-CD2 3.26Å; R134-Y138 WeakPolarHBondContact O-CE2 3.38Å |
| 135 | F | 55.3 | Low | 57.6 | Low | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 169.1 | -63.1 | -47.5 | 0 | 0 | 0 | 113 | K54 L55 A58 G131 K137 Y138 F139 I163 V164 | K54-F135 HydrophobicContact CB-CE1 4.14Å; K54-F135 HydrophobicContact CB-CE2 4.16Å; K54-F135 HydrophobicContact CB-CZ 3.34Å; K54-F135 VanDerWaalsContact O-CE1 3.28Å; K54-F135 WeakPolarHBondContact O-CE1 3.35Å; L55-F135 HydrophobicContact CD2-CE1 4.17Å; L55-F135 HydrophobicContact CD2-CZ 4.45Å; A58-F135 HydrophobicContact CB-CD1 4.01Å; A58-F135 HydrophobicContact CB-CE1 3.89Å; G131-F135 VanDerWaalsContact C-CE2 3.46Å; G131-F135 VanDerWaalsContact O-CB 3.31Å; G131-F135 WeakPolarHBondContact O-CB 2.94Å; G131-F135 WeakPolarHBondContact O-CD2 3.19Å; G131-F135 VanDerWaalsContact O-CG 3.26Å; G131-F135 WeakPolarHBondContact O-CG 3.42Å; G131-F135 PolarHBondContact O-N 3.49Å; F135-K137 PolarHBondContact O-N 2.82Å; F135-Y138 HydrophobicContact CD1-CD2 4.28Å; F135-Y138 HydrophobicContact CD1-CE2 4.45Å; F135-Y138 WeakPolarHBondContact O-CA 3.46Å; F135-Y138 WeakPolarHBondContact O-CB 3.49Å; F135-Y138 PolarHBondContact O-N 2.89Å; F135-F139 VanDerWaalsContact O-CD2 3.3Å; F135-F139 WeakPolarHBondContact O-CD2 3.42Å; F135-F139 PolarHBondContact O-N 3.43Å; F135-I163 HydrophobicContact CD1-CG2 3.9Å; F135-I163 HydrophobicContact CD2-CG2 4.46Å; F135-I163 HydrophobicContact CE1-CG2 3.47Å; F135-I163 VanDerWaalsContact CE1-CG2 3.47Å; F135-I163 HydrophobicContact CE2-CG2 4.07Å; F135-I163 HydrophobicContact CG-CG2 4.47Å; F135-I163 HydrophobicContact CZ-CG2 3.66Å; F135-V164 HydrophobicContact CB-CG2 4.04Å; F135-V164 HydrophobicContact CG-CG2 4.41Å |
| 136 | G | 62.4 | Low | 60 | Low | 37 Ų | 37 | 57.1 Ų | 57.1 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.3 | -28.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G132 R133 R134 R140 | G132-G136 WeakPolarHBondContact O-CA 3.39Å; G132-G136 PolarHBondContact O-N 3.47Å; R133-G136 PolarHBondContact O-N 2.85Å; R134-G136 PolarHBondContact O-N 3.09Å; G136-R140 PolarHBondContact O-N 2.99Å |
| 137 | K | 66.5 | Low | 62.2 | Low | 62 Ų | 62 | 57 Ų | 57 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 171.1 | -66.8 | -175.7 | 169.7 | -169.7 | 0 | 111.7 | P73 S79 R133 R134 F135 R140 V141 | P73-K137 HydrophobicContact CB-CB 4.24Å; P73-K137 HydrophobicContact CB-CD 4.3Å; P73-K137 HydrophobicContact CG-CB 4.47Å; S79-K137 PolarHBondContact OG-NZ 3.14Å; R133-K137 PolarHBondContact O-N 3.17Å; R134-K137 WeakPolarHBondContact O-CB 3.17Å; R134-K137 PolarHBondContact O-N 2.76Å; R134-K137 VanDerWaalsContact O-N 3.11Å; F135-K137 PolarHBondContact O-N 2.82Å; K137-R140 WeakPolarHBondContact O-CA 3.12Å; K137-R140 WeakPolarHBondContact O-CB 3.39Å; K137-R140 PolarHBondContact O-N 3.4Å; K137-V141 PolarHBondContact O-N 3.2Å |
| 138 | Y | 70.7 | Confident | 64.4 | Low | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 177 | -66.2 | -90.5 | 0 | 0 | 0 | 112.1 | L55 A58 F62 F74 R134 F135 R140 V141 L142 | L55-Y138 HydrophobicContact CD2-CE2 3.66Å; L55-Y138 PolarHBondContact O-OH 3Å; A58-Y138 HydrophobicContact CB-CD1 4.09Å; A58-Y138 HydrophobicContact CB-CD2 4.14Å; A58-Y138 HydrophobicContact CB-CE1 3.92Å; A58-Y138 HydrophobicContact CB-CE2 4Å; A58-Y138 HydrophobicContact CB-CG 4.17Å; F62-Y138 HydrophobicContact CD2-CD1 4.06Å; F62-Y138 AromaticContact CE2-CD1 3.58Å; F62-Y138 HydrophobicContact CE2-CD1 3.58Å; F62-Y138 HydrophobicContact CE2-CG 4.14Å; F62-Y138 HydrophobicContact CZ-CD1 4.21Å; F62-Y138 WeakPolarHBondContact CZ-O 3.49Å; F74-Y138 HydrophobicContact CD1-CD1 4.33Å; F74-Y138 AromaticContact CD1-CE1 3.65Å; F74-Y138 HydrophobicContact CD1-CE1 3.65Å; F74-Y138 AromaticContact CE1-CD1 3.55Å; F74-Y138 HydrophobicContact CE1-CD1 3.55Å; F74-Y138 AromaticContact CE1-CE1 3.29Å; F74-Y138 HydrophobicContact CE1-CE1 3.29Å; F74-Y138 AromaticContact CZ-CD1 3.91Å; F74-Y138 HydrophobicContact CZ-CD1 3.91Å; F74-Y138 HydrophobicContact CZ-CE1 4.07Å; R134-Y138 WeakPolarHBondContact O-CD2 3.26Å; R134-Y138 WeakPolarHBondContact O-CE2 3.38Å; F135-Y138 HydrophobicContact CD1-CD2 4.28Å; F135-Y138 HydrophobicContact CD1-CE2 4.45Å; F135-Y138 WeakPolarHBondContact O-CA 3.46Å; F135-Y138 WeakPolarHBondContact O-CB 3.49Å; F135-Y138 PolarHBondContact O-N 2.89Å; Y138-R140 PolarHBondContact O-N 2.98Å; Y138-R140 VanDerWaalsContact O-N 3.16Å; Y138-V141 VanDerWaalsContact O-CG2 3.3Å; Y138-V141 WeakPolarHBondContact O-CG2 3.28Å; Y138-V141 PolarHBondContact O-N 3.07Å; Y138-L142 PolarHBondContact O-N 3.43Å |
| 139 | F | 70.6 | Confident | 66.5 | Low | 66 Ų | 66 | 55 Ų | 55 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -25.5 | 174.2 | -72.1 | -81.4 | 0 | 0 | 0 | 113.6 | F135 T157 L160 V164 | F135-F139 VanDerWaalsContact O-CD2 3.3Å; F135-F139 WeakPolarHBondContact O-CD2 3.42Å; F135-F139 PolarHBondContact O-N 3.43Å; F139-T157 HydrophobicContact CE1-CG2 4.31Å; F139-L160 HydrophobicContact CD1-CD1 4.34Å; F139-L160 HydrophobicContact CD2-CD1 4.49Å; F139-L160 HydrophobicContact CE1-CB 4.01Å; F139-L160 HydrophobicContact CE1-CD1 4.1Å; F139-L160 HydrophobicContact CE2-CB 4.01Å; F139-L160 HydrophobicContact CE2-CD1 4.17Å; F139-L160 HydrophobicContact CZ-CB 3.44Å; F139-L160 VanDerWaalsContact CZ-CB 3.44Å; F139-L160 HydrophobicContact CZ-CD1 4.01Å; F139-L160 HydrophobicContact CZ-CG 4.39Å; F139-V164 HydrophobicContact CD2-CG2 4.44Å; F139-V164 HydrophobicContact CE2-CG2 3.28Å; F139-V164 HydrophobicContact CZ-CG2 3.67Å |
| 140 | R | 69.5 | Low | 68.9 | Low | 112 Ų | 112 | 57.1 Ų | 57.1 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.8 | -48.7 | 176.2 | -170.7 | -172.1 | -63.6 | -172 | 4.1 | 111.1 | G136 K137 Y138 L142 R143 G228 | G136-R140 PolarHBondContact O-N 2.99Å; K137-R140 WeakPolarHBondContact O-CA 3.12Å; K137-R140 WeakPolarHBondContact O-CB 3.39Å; K137-R140 PolarHBondContact O-N 3.4Å; Y138-R140 PolarHBondContact O-N 2.98Å; Y138-R140 VanDerWaalsContact O-N 3.16Å; R140-L142 PolarHBondContact O-N 3.08Å; R140-R143 VanDerWaalsContact O-CB 3.28Å; R140-R143 WeakPolarHBondContact O-CB 3.39Å; R140-R143 PolarHBondContact O-N 3.22Å; R140-G228 VanDerWaalsContact CZ-O 3.25Å; R140-G228 PolarHBondContact NH1-O 3.37Å; R140-G228 PolarHBondContact NH2-O 2.82Å |
| 141 | V | 74.7 | Confident | 71.1 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -22.9 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | F62 P73 F74 K137 Y138 R143 D144 V147 | F62-V141 HydrophobicContact CE1-CG2 4.06Å; F62-V141 HydrophobicContact CZ-CG2 4.09Å; P73-V141 VanDerWaalsContact CD-CG1 3.44Å; P73-V141 HydrophobicContact CG-CG1 3.87Å; P73-V141 HydrophobicContact CG-CG2 3.91Å; F74-V141 HydrophobicContact CE2-CG2 4.28Å; F74-V141 HydrophobicContact CZ-CG2 4.35Å; K137-V141 PolarHBondContact O-N 3.2Å; Y138-V141 VanDerWaalsContact O-CG2 3.3Å; Y138-V141 WeakPolarHBondContact O-CG2 3.28Å; Y138-V141 PolarHBondContact O-N 3.07Å; V141-R143 PolarHBondContact O-N 2.75Å; V141-R143 VanDerWaalsContact O-N 3.08Å; V141-D144 VanDerWaalsContact O-CB 3.26Å; V141-D144 WeakPolarHBondContact O-CB 3.49Å; V141-D144 PolarHBondContact O-N 3.17Å; V141-V147 HydrophobicContact CB-CB 4.49Å; V141-V147 HydrophobicContact CB-CG1 4.14Å; V141-V147 HydrophobicContact CB-CG2 4.18Å; V141-V147 HydrophobicContact CG2-CG1 4.17Å; V141-V147 WeakPolarHBondContact O-CB 3.02Å |
| 142 | L | 77.4 | Confident | 73.4 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.1 | 166.9 | -170.9 | 61.3 | 0 | 0 | 0 | 113.5 | F62 Y138 R140 C148 K153 V156 T157 | F62-L142 HydrophobicContact CE1-CD1 4.33Å; F62-L142 HydrophobicContact CZ-CB 4.41Å; Y138-L142 PolarHBondContact O-N 3.43Å; R140-L142 PolarHBondContact O-N 3.08Å; L142-C148 HydrophobicContact CD1-CB 3.8Å; L142-C148 VanDerWaalsContact CD1-SG 3.56Å; L142-K153 HydrophobicContact CD1-CB 4.27Å; L142-K153 HydrophobicContact CD1-CG 4.01Å; L142-K153 HydrophobicContact CG-CB 4.36Å; L142-K153 HydrophobicContact CG-CG 4.22Å; L142-K153 WeakPolarHBondContact O-CD 3.47Å; L142-K153 WeakPolarHBondContact O-CE 3.44Å; L142-V156 HydrophobicContact CD1-CB 3.79Å; L142-V156 HydrophobicContact CD1-CG1 3.78Å; L142-V156 HydrophobicContact CD1-CG2 4.32Å; L142-V156 HydrophobicContact CD2-CG1 4.42Å; L142-T157 WeakPolarHBondContact CD2-OG1 3.36Å |
| 143 | R | 75.2 | Confident | 75.6 | Confident | 204 Ų | 204 | 64.5 Ų | 64.5 | 77% | 0.77 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19 | 175.5 | -58 | -178.2 | 179.8 | -166.7 | -6.6 | 112.8 | R140 V141 P145 | R140-R143 VanDerWaalsContact O-CB 3.28Å; R140-R143 WeakPolarHBondContact O-CB 3.39Å; R140-R143 PolarHBondContact O-N 3.22Å; V141-R143 PolarHBondContact O-N 2.75Å; V141-R143 VanDerWaalsContact O-N 3.08Å; R143-P145 WeakPolarHBondContact O-CD 3.37Å |
| 144 | D | 76.5 | Confident | 77.6 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 34% | 0.336 | S | S | . | . | trans | -71.4 | 117.5 | 175.9 | -169.6 | -24.8 | 0 | 0 | 0 | 108.8 | V141 N146 V147 C148 | V141-D144 VanDerWaalsContact O-CB 3.26Å; V141-D144 WeakPolarHBondContact O-CB 3.49Å; V141-D144 PolarHBondContact O-N 3.17Å; D144-N146 PolarHBondContact O-N 2.79Å; D144-N146 VanDerWaalsContact OD1-CB 3.31Å; D144-N146 WeakPolarHBondContact OD1-CB 3.24Å; D144-N146 PolarHBondContact OD1-N 2.59Å; D144-N146 PolarHBondContact OD1-ND2 3.04Å; D144-V147 HydrophobicContact CB-CB 4.11Å; D144-V147 HydrophobicContact CB-CG2 3.77Å; D144-V147 PolarHBondContact O-N 3.27Å; D144-C148 PolarHBondContact O-N 3.46Å | ||
| 145 | P | 76.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.1 | 178.3 | 26.9 | -34.9 | 0 | 0 | 0 | 112.9 | R143 V147 | R143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-V147 VanDerWaalsContact C-N 3.31Å |
| 146 | N | 83.7 | Confident | 81 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.4 | 177.6 | -54.6 | -61 | 0 | 0 | 0 | 113.4 | D144 | D144-N146 PolarHBondContact O-N 2.79Å; D144-N146 VanDerWaalsContact OD1-CB 3.31Å; D144-N146 WeakPolarHBondContact OD1-CB 3.24Å; D144-N146 PolarHBondContact OD1-N 2.59Å; D144-N146 PolarHBondContact OD1-ND2 3.04Å |
| 147 | V | 85.2 | Confident | 82.3 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -51.1 | -179.5 | 173 | 0 | 0 | 0 | 0 | 110.2 | F62 C67 N68 F74 V141 D144 P145 | F62-V147 HydrophobicContact CD1-CG1 3.91Å; F62-V147 HydrophobicContact CE1-CG1 3.79Å; C67-V147 CarbonylContact C-O 3.42Å; C67-V147 WeakPolarHBondContact CA-O 3.37Å; C67-V147 WeakPolarHBondContact CB-O 3.4Å; N68-V147 PolarHBondContact N-O 2.95Å; F74-V147 HydrophobicContact CE2-CG1 4.29Å; V141-V147 HydrophobicContact CB-CB 4.49Å; V141-V147 HydrophobicContact CB-CG1 4.14Å; V141-V147 HydrophobicContact CB-CG2 4.18Å; V141-V147 HydrophobicContact CG2-CG1 4.17Å; V141-V147 WeakPolarHBondContact O-CB 3.02Å; D144-V147 HydrophobicContact CB-CB 4.11Å; D144-V147 HydrophobicContact CB-CG2 3.77Å; D144-V147 PolarHBondContact O-N 3.27Å; P145-V147 VanDerWaalsContact C-N 3.31Å |
| 148 | C | 86.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -133.2 | 130.3 | 176.4 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | F62 C67 L142 D144 V152 K153 | F62-C148 WeakPolarHBondContact CD1-SG 3.48Å; F62-C148 VanDerWaalsContact CE1-SG 3.53Å; C67-C148 HydrophobicContact CB-CB 4.16Å; C67-C148 WeakPolarHBondContact CB-SG 3.44Å; C67-C148 WeakPolarHBondContact SG-CB 3.4Å; C67-C148 CovalentContact SG-SG 2.04Å; C67-C148 PolarHBondContact SG-SG 3.21Å; L142-C148 HydrophobicContact CD1-CB 3.8Å; L142-C148 VanDerWaalsContact CD1-SG 3.56Å; D144-C148 PolarHBondContact O-N 3.46Å; C148-V152 HydrophobicContact CB-CG2 4.09Å; C148-K153 WeakPolarHBondContact O-CE 3.18Å |
| 149 | P | 87.6 | Confident | 84.5 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | trans | -53.5 | 153.4 | 165.9 | -23.1 | 33 | 0 | 0 | 0 | 111.8 | E151 V152 K153 | P149-E151 VanDerWaalsContact C-N 3.29Å; P149-E151 HydrophobicContact CB-CG 4.21Å; P149-E151 WeakPolarHBondContact CB-OE1 3.39Å; P149-E151 VanDerWaalsContact CB-OE2 3.24Å; P149-E151 WeakPolarHBondContact CB-OE2 3.4Å; P149-E151 PolarHBondContact O-N 2.71Å; P149-V152 HydrophobicContact CB-CG2 4.37Å; P149-V152 WeakPolarHBondContact O-CG2 3.38Å; P149-V152 PolarHBondContact O-N 3.19Å; P149-K153 WeakPolarHBondContact O-CG 3.45Å | ||
| 150 | A | 88.3 | Confident | 85.3 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -63.3 | -36.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V152 K153 | A150-V152 VanDerWaalsContact C-N 3.28Å; A150-V152 PolarHBondContact O-N 3.19Å; A150-K153 WeakPolarHBondContact O-CB 2.83Å; A150-K153 PolarHBondContact O-N 3.05Å |
| 151 | E | 91.6 | Very high | 86.1 | Confident | 136 Ų | 136 | 70.3 Ų | 70.3 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -67.5 | -19.3 | -176.1 | 61.4 | -88.5 | -157 | 0 | 0 | 114.7 | P149 Q155 | P149-E151 VanDerWaalsContact C-N 3.29Å; P149-E151 HydrophobicContact CB-CG 4.21Å; P149-E151 WeakPolarHBondContact CB-OE1 3.39Å; P149-E151 VanDerWaalsContact CB-OE2 3.24Å; P149-E151 WeakPolarHBondContact CB-OE2 3.4Å; P149-E151 PolarHBondContact O-N 2.71Å; E151-Q155 PolarHBondContact O-NE2 3.02Å; E151-Q155 VanDerWaalsContact O-NE2 3.12Å; E151-Q155 PolarHBondContact O-OE1 3.24Å; E151-Q155 VanDerWaalsContact O-OE1 3.06Å |
| 152 | V | 91.4 | Very high | 86.6 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -102.7 | -2.1 | 178.2 | -61 | 0 | 0 | 0 | 0 | 113.6 | N65 C148 P149 A150 D154 Q155 V156 | N65-V152 HydrophobicContact CB-CB 4.2Å; C148-V152 HydrophobicContact CB-CG2 4.09Å; P149-V152 HydrophobicContact CB-CG2 4.37Å; P149-V152 WeakPolarHBondContact O-CG2 3.38Å; P149-V152 PolarHBondContact O-N 3.19Å; A150-V152 VanDerWaalsContact C-N 3.28Å; A150-V152 PolarHBondContact O-N 3.19Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 3.2Å; V152-Q155 PolarHBondContact O-N 3.29Å; V152-Q155 PolarHBondContact O-OE1 2.63Å; V152-Q155 VanDerWaalsContact O-OE1 3.13Å; V152-V156 WeakPolarHBondContact O-CG2 3.28Å; V152-V156 PolarHBondContact O-N 3.14Å |
| 153 | K | 89.9 | Confident | 86.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | -171.3 | -71.1 | -176.8 | -178.6 | 178.5 | 0 | 113 | L142 C148 P149 A150 T157 | L142-K153 HydrophobicContact CD1-CB 4.27Å; L142-K153 HydrophobicContact CD1-CG 4.01Å; L142-K153 HydrophobicContact CG-CB 4.36Å; L142-K153 HydrophobicContact CG-CG 4.22Å; L142-K153 WeakPolarHBondContact O-CD 3.47Å; L142-K153 WeakPolarHBondContact O-CE 3.44Å; C148-K153 WeakPolarHBondContact O-CE 3.18Å; P149-K153 WeakPolarHBondContact O-CG 3.45Å; A150-K153 WeakPolarHBondContact O-CB 2.83Å; A150-K153 PolarHBondContact O-N 3.05Å; K153-T157 WeakPolarHBondContact O-CB 3.36Å; K153-T157 PolarHBondContact O-N 3.23Å; K153-T157 PolarHBondContact O-OG1 3.21Å |
| 154 | D | 91.5 | Very high | 87.1 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.5 | -38.6 | -179.9 | -73 | -22.7 | 0 | 0 | 0 | 111.5 | V152 T157 Q158 | V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 3.2Å; D154-T157 WeakPolarHBondContact O-CB 3.36Å; D154-T157 PolarHBondContact O-N 2.85Å; D154-Q158 WeakPolarHBondContact O-CB 2.96Å; D154-Q158 VanDerWaalsContact O-CG 3.26Å; D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 3.41Å |
| 155 | Q | 92.7 | Very high | 87.3 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.6 | -61.5 | 83.7 | -19.7 | 0 | 0 | 110.6 | N65 E151 V152 Q158 C159 | N65-Q155 WeakPolarHBondContact OD1-CB 3.41Å; E151-Q155 PolarHBondContact O-NE2 3.02Å; E151-Q155 VanDerWaalsContact O-NE2 3.12Å; E151-Q155 PolarHBondContact O-OE1 3.24Å; E151-Q155 VanDerWaalsContact O-OE1 3.06Å; V152-Q155 PolarHBondContact O-N 3.29Å; V152-Q155 PolarHBondContact O-OE1 2.63Å; V152-Q155 VanDerWaalsContact O-OE1 3.13Å; Q155-Q158 PolarHBondContact O-N 3.31Å; Q155-C159 WeakPolarHBondContact O-CB 3.44Å; Q155-C159 PolarHBondContact O-N 3.09Å |
| 156 | V | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.6 | 179 | 0 | 0 | 0 | 0 | 110.9 | F62 N65 L142 V152 Q158 C159 L160 | F62-V156 HydrophobicContact CD1-CG1 4.43Å; F62-V156 HydrophobicContact CD2-CG1 3.99Å; F62-V156 HydrophobicContact CE1-CG1 4.21Å; F62-V156 HydrophobicContact CE2-CG1 3.75Å; F62-V156 HydrophobicContact CG-CG1 4.33Å; F62-V156 HydrophobicContact CZ-CG1 3.86Å; N65-V156 HydrophobicContact CB-CG2 3.64Å; L142-V156 HydrophobicContact CD1-CB 3.79Å; L142-V156 HydrophobicContact CD1-CG1 3.78Å; L142-V156 HydrophobicContact CD1-CG2 4.32Å; L142-V156 HydrophobicContact CD2-CG1 4.42Å; V152-V156 WeakPolarHBondContact O-CG2 3.28Å; V152-V156 PolarHBondContact O-N 3.14Å; V156-Q158 VanDerWaalsContact C-N 3.33Å; V156-Q158 PolarHBondContact O-N 3.21Å; V156-C159 PolarHBondContact O-N 2.58Å; V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 HydrophobicContact CG1-CG 4.26Å; V156-L160 WeakPolarHBondContact O-CG 3.38Å; V156-L160 PolarHBondContact O-N 2.85Å |
| 157 | T | 90 | Very high | 87.1 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | F139 L142 K153 D154 C159 L160 K161 | F139-T157 HydrophobicContact CE1-CG2 4.31Å; L142-T157 WeakPolarHBondContact CD2-OG1 3.36Å; K153-T157 WeakPolarHBondContact O-CB 3.36Å; K153-T157 PolarHBondContact O-N 3.23Å; K153-T157 PolarHBondContact O-OG1 3.21Å; D154-T157 WeakPolarHBondContact O-CB 3.36Å; D154-T157 PolarHBondContact O-N 2.85Å; T157-C159 VanDerWaalsContact C-N 3.35Å; T157-L160 PolarHBondContact O-N 3.28Å; T157-K161 PolarHBondContact O-N 3.42Å |
| 158 | Q | 91.9 | Very high | 86.5 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 177.1 | -73.1 | 176.7 | 14.4 | 0 | 0 | 111.7 | D154 Q155 V156 K161 P162 | D154-Q158 WeakPolarHBondContact O-CB 2.96Å; D154-Q158 VanDerWaalsContact O-CG 3.26Å; D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 3.41Å; Q155-Q158 PolarHBondContact O-N 3.31Å; V156-Q158 VanDerWaalsContact C-N 3.33Å; V156-Q158 PolarHBondContact O-N 3.21Å; Q158-K161 PolarHBondContact O-N 2.85Å; Q158-P162 WeakPolarHBondContact O-CD 3.3Å |
| 159 | C | 91 | Very high | 86 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 31% | 0.311 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 175.7 | -172.2 | 0 | 0 | 0 | 0 | 113 | C61 Q155 V156 T157 P162 | C61-C159 WeakPolarHBondContact CA-SG 3.16Å; C61-C159 HydrophobicContact CB-CB 3.65Å; C61-C159 WeakPolarHBondContact CB-SG 3.1Å; C61-C159 WeakPolarHBondContact SG-CB 3.39Å; C61-C159 PolarHBondContact SG-O 2.85Å; C61-C159 CovalentContact SG-SG 2.04Å; C61-C159 PolarHBondContact SG-SG 3.47Å; Q155-C159 WeakPolarHBondContact O-CB 3.44Å; Q155-C159 PolarHBondContact O-N 3.09Å; V156-C159 PolarHBondContact O-N 2.58Å; T157-C159 VanDerWaalsContact C-N 3.35Å; C159-P162 VanDerWaalsContact O-CD 3.3Å; C159-P162 WeakPolarHBondContact O-CD 3.41Å; C159-P162 WeakPolarHBondContact O-CG 3.12Å |
| 160 | L | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -74.9 | -27.5 | 178.9 | -67.3 | 174.2 | 0 | 0 | 0 | 113.4 | A58 C61 F62 F139 V156 T157 I163 V164 | A58-L160 HydrophobicContact CB-CD2 3.68Å; C61-L160 HydrophobicContact CB-CD2 4.13Å; C61-L160 HydrophobicContact CB-CG 4.44Å; F62-L160 HydrophobicContact CE2-CD1 3.89Å; F62-L160 HydrophobicContact CE2-CD2 4.21Å; F62-L160 HydrophobicContact CE2-CG 4.44Å; F62-L160 HydrophobicContact CZ-CD1 4.28Å; F139-L160 HydrophobicContact CD1-CD1 4.34Å; F139-L160 HydrophobicContact CD2-CD1 4.49Å; F139-L160 HydrophobicContact CE1-CB 4.01Å; F139-L160 HydrophobicContact CE1-CD1 4.1Å; F139-L160 HydrophobicContact CE2-CB 4.01Å; F139-L160 HydrophobicContact CE2-CD1 4.17Å; F139-L160 HydrophobicContact CZ-CB 3.44Å; F139-L160 VanDerWaalsContact CZ-CB 3.44Å; F139-L160 HydrophobicContact CZ-CD1 4.01Å; F139-L160 HydrophobicContact CZ-CG 4.39Å; V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 HydrophobicContact CG1-CG 4.26Å; V156-L160 WeakPolarHBondContact O-CG 3.38Å; V156-L160 PolarHBondContact O-N 2.85Å; T157-L160 PolarHBondContact O-N 3.28Å; L160-I163 HydrophobicContact CD2-CD1 4.41Å; L160-I163 WeakPolarHBondContact O-CB 3.38Å; L160-I163 PolarHBondContact O-N 3.3Å; L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.48Å |
| 161 | K | 86.6 | Confident | 84.7 | Confident | 153 Ų | 153 | 67 Ų | 67 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -53.7 | -49.6 | -176.5 | -168.6 | 178 | -179.3 | -177.7 | 0 | 114 | T157 Q158 V164 S165 | T157-K161 PolarHBondContact O-N 3.42Å; Q158-K161 PolarHBondContact O-N 2.85Å; K161-V164 PolarHBondContact O-N 2.93Å; K161-S165 WeakPolarHBondContact O-CB 3.39Å; K161-S165 PolarHBondContact O-N 3.23Å |
| 162 | P | 85.7 | Confident | 83.9 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 176.1 | 23.1 | -33.5 | 0 | 0 | 0 | 112.2 | Q158 C159 V164 S165 E166 | Q158-P162 WeakPolarHBondContact O-CD 3.3Å; C159-P162 VanDerWaalsContact O-CD 3.3Å; C159-P162 WeakPolarHBondContact O-CD 3.41Å; C159-P162 WeakPolarHBondContact O-CG 3.12Å; P162-V164 VanDerWaalsContact C-N 3.33Å; P162-V164 PolarHBondContact O-N 3.39Å; P162-S165 WeakPolarHBondContact O-CB 3.07Å; P162-S165 PolarHBondContact O-N 2.68Å; P162-S165 VanDerWaalsContact O-N 3.1Å; P162-E166 WeakPolarHBondContact O-CG 3.45Å; P162-E166 PolarHBondContact O-N 3.16Å |
| 163 | I | 83.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 178.6 | -55.6 | 173.6 | 0 | 0 | 0 | 110.9 | K54 Q57 A58 F135 L160 G167 | K54-I163 HydrophobicContact CB-CG2 4.26Å; K54-I163 HydrophobicContact CD-CG2 4.28Å; Q57-I163 HydrophobicContact CB-CD1 3.76Å; Q57-I163 HydrophobicContact CB-CG1 4.4Å; A58-I163 HydrophobicContact CB-CD1 4.29Å; F135-I163 HydrophobicContact CD1-CG2 3.9Å; F135-I163 HydrophobicContact CD2-CG2 4.46Å; F135-I163 HydrophobicContact CE1-CG2 3.47Å; F135-I163 VanDerWaalsContact CE1-CG2 3.47Å; F135-I163 HydrophobicContact CE2-CG2 4.07Å; F135-I163 HydrophobicContact CG-CG2 4.47Å; F135-I163 HydrophobicContact CZ-CG2 3.66Å; L160-I163 HydrophobicContact CD2-CD1 4.41Å; L160-I163 WeakPolarHBondContact O-CB 3.38Å; L160-I163 PolarHBondContact O-N 3.3Å; I163-G167 PolarHBondContact O-N 3.36Å |
| 164 | V | 78.5 | Confident | 82.7 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | F135 F139 L160 K161 P162 G167 K168 | F135-V164 HydrophobicContact CB-CG2 4.04Å; F135-V164 HydrophobicContact CG-CG2 4.41Å; F139-V164 HydrophobicContact CD2-CG2 4.44Å; F139-V164 HydrophobicContact CE2-CG2 3.28Å; F139-V164 HydrophobicContact CZ-CG2 3.67Å; L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.48Å; K161-V164 PolarHBondContact O-N 2.93Å; P162-V164 VanDerWaalsContact C-N 3.33Å; P162-V164 PolarHBondContact O-N 3.39Å; V164-G167 PolarHBondContact O-N 3.12Å; V164-K168 HydrophobicContact CG1-CD 4.31Å; V164-K168 HydrophobicContact CG1-CG 4.49Å; V164-K168 WeakPolarHBondContact O-CG 3.36Å; V164-K168 PolarHBondContact O-N 2.93Å |
| 165 | S | 80.7 | Confident | 82 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | -179.9 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | K161 P162 K168 K169 | K161-S165 WeakPolarHBondContact O-CB 3.39Å; K161-S165 PolarHBondContact O-N 3.23Å; P162-S165 WeakPolarHBondContact O-CB 3.07Å; P162-S165 PolarHBondContact O-N 2.68Å; P162-S165 VanDerWaalsContact O-N 3.1Å; S165-K168 WeakPolarHBondContact O-CB 3.29Å; S165-K168 PolarHBondContact O-N 3.49Å; S165-K169 WeakPolarHBondContact O-CG 3.2Å; S165-K169 PolarHBondContact O-N 3.05Å |
| 166 | E | 81.3 | Confident | 81.5 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.5 | -71.6 | 173.9 | -167.4 | 0 | 0 | 111.8 | K54 P162 K168 K169 A170 | K54-E166 IonicContact NZ-OE2 2.82Å; K54-E166 PolarHBondContact NZ-OE2 2.87Å; P162-E166 WeakPolarHBondContact O-CG 3.45Å; P162-E166 PolarHBondContact O-N 3.16Å; E166-K168 VanDerWaalsContact C-N 3.28Å; E166-K168 PolarHBondContact O-N 3.22Å; E166-K169 PolarHBondContact O-N 3.28Å; E166-K169 VanDerWaalsContact O-N 3.14Å; E166-A170 WeakPolarHBondContact O-CB 3.25Å; E166-A170 PolarHBondContact O-N 3.3Å |
| 167 | G | 75.9 | Confident | 81 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I163 V164 M171 | I163-G167 PolarHBondContact O-N 3.36Å; V164-G167 PolarHBondContact O-N 3.12Å; G167-M171 WeakPolarHBondContact O-CB 3.38Å; G167-M171 PolarHBondContact O-N 2.85Å |
| 168 | K | 71.1 | Confident | 80.7 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 46% | 0.457 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 173.6 | -73.5 | 174 | -179.4 | 173.6 | 0 | 112.2 | V164 S165 E166 M171 K172 | V164-K168 HydrophobicContact CG1-CD 4.31Å; V164-K168 HydrophobicContact CG1-CG 4.49Å; V164-K168 WeakPolarHBondContact O-CG 3.36Å; V164-K168 PolarHBondContact O-N 2.93Å; S165-K168 WeakPolarHBondContact O-CB 3.29Å; S165-K168 PolarHBondContact O-N 3.49Å; E166-K168 VanDerWaalsContact C-N 3.28Å; E166-K168 PolarHBondContact O-N 3.22Å; K168-M171 WeakPolarHBondContact O-CB 3.46Å; K168-M171 PolarHBondContact O-N 2.89Å; K168-K172 PolarHBondContact O-N 3.2Å; K168-K172 VanDerWaalsContact O-N 3.08Å |
| 169 | K | 77.5 | Confident | 80.3 | Confident | 153 Ų | 153 | 53.8 Ų | 53.8 | 67% | 0.665 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 177 | -72.8 | -178.5 | -179 | -177.3 | 0 | 111.2 | S165 E166 M171 K172 G173 | S165-K169 WeakPolarHBondContact O-CG 3.2Å; S165-K169 PolarHBondContact O-N 3.05Å; E166-K169 PolarHBondContact O-N 3.28Å; E166-K169 VanDerWaalsContact O-N 3.14Å; K169-M171 VanDerWaalsContact C-N 3.3Å; K169-M171 PolarHBondContact O-N 3.5Å; K169-K172 PolarHBondContact O-N 2.92Å; K169-G173 PolarHBondContact O-N 3.25Å |
| 170 | A | 76.2 | Confident | 80.1 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E166 K172 G173 Y174 | E166-A170 WeakPolarHBondContact O-CB 3.25Å; E166-A170 PolarHBondContact O-N 3.3Å; A170-K172 PolarHBondContact O-N 2.9Å; A170-G173 PolarHBondContact O-N 3.31Å; A170-Y174 HydrophobicContact CB-CE2 3.98Å; A170-Y174 WeakPolarHBondContact O-CB 3.5Å; A170-Y174 VanDerWaalsContact O-CD2 3.24Å; A170-Y174 WeakPolarHBondContact O-CD2 3.37Å; A170-Y174 PolarHBondContact O-N 3.01Å |
| 171 | M | 71.7 | Confident | 80 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 176.4 | -175.6 | 172.5 | -164.9 | 0 | 0 | 113.4 | C6 F130 G167 K168 K169 Y174 I175 F266 | C6-M171 HydrophobicContact CB-CE 3.62Å; C6-M171 HydrophobicContact CB-SD 4.31Å; F130-M171 HydrophobicContact CD1-CE 3.63Å; F130-M171 HydrophobicContact CD1-SD 4.33Å; F130-M171 HydrophobicContact CE1-CE 3.34Å; G167-M171 WeakPolarHBondContact O-CB 3.38Å; G167-M171 PolarHBondContact O-N 2.85Å; K168-M171 WeakPolarHBondContact O-CB 3.46Å; K168-M171 PolarHBondContact O-N 2.89Å; K169-M171 VanDerWaalsContact C-N 3.3Å; K169-M171 PolarHBondContact O-N 3.5Å; M171-Y174 PolarHBondContact O-N 3.2Å; M171-I175 HydrophobicContact CG-CD1 4.27Å; M171-I175 WeakPolarHBondContact O-CG1 3.45Å; M171-I175 PolarHBondContact O-N 3.33Å; M171-F266 HydrophobicContact CE-CZ 4.41Å; M171-F266 HydrophobicContact CG-CZ 4.18Å; M171-F266 HydrophobicContact SD-CZ 4.16Å |
| 172 | K | 74.6 | Confident | 79.9 | Confident | 89 Ų | 89 | 49.1 Ų | 49.1 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.1 | -175.4 | -178.5 | 177.4 | -177 | 0 | 110.5 | K168 K169 A170 Y174 I175 T176 F266 | K168-K172 PolarHBondContact O-N 3.2Å; K168-K172 VanDerWaalsContact O-N 3.08Å; K169-K172 PolarHBondContact O-N 2.92Å; A170-K172 PolarHBondContact O-N 2.9Å; K172-Y174 PolarHBondContact O-N 3.46Å; K172-I175 PolarHBondContact O-N 3.27Å; K172-T176 PolarHBondContact O-N 3.02Å; K172-T176 PolarHBondContact O-OG1 2.8Å; K172-F266 HydrophobicContact CB-CD1 4.43Å; K172-F266 HydrophobicContact CD-CB 4.38Å; K172-F266 HydrophobicContact CG-CB 4.3Å; K172-F266 HydrophobicContact CG-CG 4.45Å |
| 173 | G | 79.2 | Confident | 80 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K169 A170 I175 T176 E177 | K169-G173 PolarHBondContact O-N 3.25Å; A170-G173 PolarHBondContact O-N 3.31Å; G173-I175 VanDerWaalsContact C-N 3.33Å; G173-I175 PolarHBondContact O-N 3.35Å; G173-T176 PolarHBondContact O-N 3.47Å; G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 2.93Å |
| 174 | Y | 78.3 | Confident | 80.3 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 175.6 | -69.9 | -24.6 | 0 | 0 | 0 | 113.1 | L45 P129 A170 M171 K172 L178 | L45-Y174 HydrophobicContact CD1-CD1 4.06Å; L45-Y174 HydrophobicContact CD1-CG 4.09Å; L45-Y174 WeakPolarHBondContact CD1-O 3.31Å; L45-Y174 HydrophobicContact CD2-CD1 4.1Å; L45-Y174 HydrophobicContact CD2-CD2 4.22Å; L45-Y174 HydrophobicContact CD2-CG 3.89Å; L45-Y174 HydrophobicContact CG-CD1 3.83Å; L45-Y174 HydrophobicContact CG-CE1 4.46Å; L45-Y174 HydrophobicContact CG-CG 4.05Å; P129-Y174 HydrophobicContact CB-CD2 4.2Å; P129-Y174 HydrophobicContact CB-CE2 4.16Å; A170-Y174 HydrophobicContact CB-CE2 3.98Å; A170-Y174 WeakPolarHBondContact O-CB 3.5Å; A170-Y174 VanDerWaalsContact O-CD2 3.24Å; A170-Y174 WeakPolarHBondContact O-CD2 3.37Å; A170-Y174 PolarHBondContact O-N 3.01Å; M171-Y174 PolarHBondContact O-N 3.2Å; K172-Y174 PolarHBondContact O-N 3.46Å; Y174-L178 WeakPolarHBondContact O-CB 3.47Å; Y174-L178 WeakPolarHBondContact O-CG 3.38Å; Y174-L178 PolarHBondContact O-N 3.44Å |
| 175 | I | 76.1 | Confident | 80.6 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -49.5 | 176.9 | -72 | 168 | 0 | 0 | 0 | 110.4 | M171 K172 G173 E177 L178 C179 L262 F266 | M171-I175 HydrophobicContact CG-CD1 4.27Å; M171-I175 WeakPolarHBondContact O-CG1 3.45Å; M171-I175 PolarHBondContact O-N 3.33Å; K172-I175 PolarHBondContact O-N 3.27Å; G173-I175 VanDerWaalsContact C-N 3.33Å; G173-I175 PolarHBondContact O-N 3.35Å; I175-E177 PolarHBondContact O-N 3.48Å; I175-L178 PolarHBondContact O-N 2.78Å; I175-C179 WeakPolarHBondContact O-CB 3.5Å; I175-C179 PolarHBondContact O-N 2.86Å; I175-C179 PolarHBondContact O-SG 3.05Å; I175-L262 HydrophobicContact CD1-CD1 4.21Å; I175-L262 HydrophobicContact CD1-CD2 4.28Å; I175-L262 HydrophobicContact CG1-CD1 4.33Å; I175-L262 HydrophobicContact CG2-CB 3.89Å; I175-L262 HydrophobicContact CG2-CD1 3.95Å; I175-F266 HydrophobicContact CD1-CD2 3.93Å; I175-F266 HydrophobicContact CD1-CE2 3.16Å; I175-F266 HydrophobicContact CD1-CZ 3.74Å |
| 176 | T | 81.9 | Confident | 80.9 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 177 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | K172 G173 C179 A180 | K172-T176 PolarHBondContact O-N 3.02Å; K172-T176 PolarHBondContact O-OG1 2.8Å; G173-T176 PolarHBondContact O-N 3.47Å; T176-C179 PolarHBondContact O-N 2.96Å; T176-A180 PolarHBondContact O-N 3.33Å |
| 177 | E | 82.7 | Confident | 81.2 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.1 | -173.9 | 175.2 | -163.7 | 0 | 0 | 112.6 | R48 G173 I175 C179 A180 E181 | R48-E177 IonicContact CZ-OE1 2.78Å; R48-E177 IonicContact CZ-OE2 3.83Å; R48-E177 IonicContact NH1-OE1 3.43Å; R48-E177 PolarHBondContact NH1-OE1 3.04Å; R48-E177 IonicContact NH1-OE2 3.67Å; R48-E177 IonicContact NH2-OE1 2.62Å; R48-E177 PolarHBondContact NH2-OE1 3.23Å; R48-E177 IonicContact NH2-OE2 3.16Å; R48-E177 PolarHBondContact NH2-OE2 3.05Å; G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 2.93Å; I175-E177 PolarHBondContact O-N 3.48Å; E177-C179 PolarHBondContact O-N 3.48Å; E177-A180 PolarHBondContact O-N 2.95Å; E177-E181 WeakPolarHBondContact O-CB 3.4Å; E177-E181 WeakPolarHBondContact O-CG 3.08Å; E177-E181 PolarHBondContact O-N 2.58Å |
| 178 | L | 81.7 | Confident | 81.5 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -32.4 | 174.7 | -77.3 | 172.1 | 0 | 0 | 0 | 112.2 | F17 M38 F42 L45 Y174 I175 K182 | F17-L178 HydrophobicContact CZ-CB 4.45Å; M38-L178 HydrophobicContact CE-CD2 4.42Å; F42-L178 HydrophobicContact CD2-CD2 4.42Å; L45-L178 HydrophobicContact CD1-CD1 3.77Å; L45-L178 HydrophobicContact CD1-CD2 3.92Å; L45-L178 HydrophobicContact CD1-CG 3.48Å; L45-L178 VanDerWaalsContact CD1-CG 3.48Å; Y174-L178 WeakPolarHBondContact O-CB 3.47Å; Y174-L178 WeakPolarHBondContact O-CG 3.38Å; Y174-L178 PolarHBondContact O-N 3.44Å; I175-L178 PolarHBondContact O-N 2.78Å; L178-K182 WeakPolarHBondContact O-CB 3.4Å; L178-K182 PolarHBondContact O-N 2.99Å |
| 179 | C | 84.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.5 | -41.4 | 178.1 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | I175 T176 E177 E181 K182 D183 C259 | I175-C179 WeakPolarHBondContact O-CB 3.5Å; I175-C179 PolarHBondContact O-N 2.86Å; I175-C179 PolarHBondContact O-SG 3.05Å; T176-C179 PolarHBondContact O-N 2.96Å; E177-C179 PolarHBondContact O-N 3.48Å; C179-E181 VanDerWaalsContact C-N 3.35Å; C179-K182 WeakPolarHBondContact O-CB 3.37Å; C179-K182 PolarHBondContact O-N 2.93Å; C179-D183 PolarHBondContact O-N 3.37Å; C179-C259 WeakPolarHBondContact CA-SG 3.13Å; C179-C259 HydrophobicContact CB-CB 3.59Å; C179-C259 WeakPolarHBondContact CB-SG 3.38Å; C179-C259 WeakPolarHBondContact SG-CA 3.4Å; C179-C259 WeakPolarHBondContact SG-CB 3.39Å; C179-C259 CovalentContact SG-SG 2.03Å; C179-C259 PolarHBondContact SG-SG 2.82Å |
| 180 | A | 87.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T176 E177 D183 K184 | T176-A180 PolarHBondContact O-N 3.33Å; E177-A180 PolarHBondContact O-N 2.95Å; A180-D183 PolarHBondContact O-N 3.34Å; A180-K184 WeakPolarHBondContact O-CB 3.37Å; A180-K184 PolarHBondContact O-N 3.32Å |
| 181 | E | 85.2 | Confident | 83.3 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 175.2 | -74 | -78.9 | -158.2 | 0 | 0 | 111.6 | A41 R44 E177 C179 D183 K184 C185 | A41-E181 HydrophobicContact CB-CB 3.75Å; A41-E181 HydrophobicContact CB-CG 3.84Å; R44-E181 IonicContact CZ-OE1 2.75Å; R44-E181 IonicContact NH2-OE1 2.68Å; R44-E181 PolarHBondContact NH2-OE1 3.26Å; R44-E181 IonicContact NH2-OE2 2.78Å; E177-E181 WeakPolarHBondContact O-CB 3.4Å; E177-E181 WeakPolarHBondContact O-CG 3.08Å; E177-E181 PolarHBondContact O-N 2.58Å; C179-E181 VanDerWaalsContact C-N 3.35Å; E181-D183 PolarHBondContact O-N 3.29Å; E181-K184 PolarHBondContact O-N 3.13Å; E181-C185 WeakPolarHBondContact O-CB 3.41Å; E181-C185 PolarHBondContact O-N 2.88Å; E181-C185 PolarHBondContact O-SG 3.25Å |
| 182 | K | 84.4 | Confident | 84.1 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -51.6 | 171.8 | 178.2 | -146.4 | 57.7 | 140 | 0 | 110.2 | F34 M38 L178 C179 K184 C185 M186 D257 | F34-K182 HydrophobicContact CE2-CG 4.41Å; F34-K182 HydrophobicContact CZ-CG 4.25Å; M38-K182 HydrophobicContact CE-CB 4.33Å; M38-K182 VanDerWaalsContact SD-CA 3.51Å; M38-K182 HydrophobicContact SD-CB 3.98Å; L178-K182 WeakPolarHBondContact O-CB 3.4Å; L178-K182 PolarHBondContact O-N 2.99Å; C179-K182 WeakPolarHBondContact O-CB 3.37Å; C179-K182 PolarHBondContact O-N 2.93Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 2.96Å; K182-C185 PolarHBondContact O-N 2.94Å; K182-M186 HydrophobicContact CG-CG 4.45Å; K182-M186 WeakPolarHBondContact O-CB 3.22Å; K182-M186 WeakPolarHBondContact O-CG 3.48Å; K182-M186 PolarHBondContact O-N 3.08Å; K182-D257 IonicContact NZ-OD1 3.59Å; K182-D257 IonicContact NZ-OD2 2.79Å; K182-D257 PolarHBondContact NZ-OD2 3.41Å |
| 183 | D | 87.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | -179.2 | -68.1 | -25 | 0 | 0 | 0 | 111.8 | C179 A180 E181 M186 T187 | C179-D183 PolarHBondContact O-N 3.37Å; A180-D183 PolarHBondContact O-N 3.34Å; E181-D183 PolarHBondContact O-N 3.29Å; D183-M186 WeakPolarHBondContact O-CB 3.44Å; D183-M186 PolarHBondContact O-N 2.78Å; D183-T187 WeakPolarHBondContact O-CG2 3.43Å; D183-T187 PolarHBondContact O-N 3.45Å |
| 184 | K | 89.4 | Confident | 84.9 | Confident | 135 Ų | 135 | 48.8 Ų | 48.8 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.3 | -46 | 172.4 | -174.1 | -176.8 | 176.8 | -175.3 | 0 | 112.4 | A180 E181 K182 M186 T187 | A180-K184 WeakPolarHBondContact O-CB 3.37Å; A180-K184 PolarHBondContact O-N 3.32Å; E181-K184 PolarHBondContact O-N 3.13Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 2.96Å; K184-M186 VanDerWaalsContact C-N 3.26Å; K184-M186 PolarHBondContact O-N 3.42Å; K184-T187 PolarHBondContact O-N 3.12Å; K184-T187 VanDerWaalsContact O-N 3.15Å; K184-T187 PolarHBondContact O-OG1 2.85Å |
| 185 | C | 86.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -32.2 | 177.2 | -65 | 0 | 0 | 0 | 0 | 111.4 | F34 C37 M38 E181 K182 T187 S188 | F34-C185 HydrophobicContact CD2-CB 3.62Å; F34-C185 HydrophobicContact CE2-CB 3.64Å; C37-C185 HydrophobicContact CB-CB 3.68Å; C37-C185 WeakPolarHBondContact CB-SG 2.93Å; C37-C185 WeakPolarHBondContact SG-CA 3.29Å; C37-C185 WeakPolarHBondContact SG-CB 3.42Å; C37-C185 CovalentContact SG-SG 2.03Å; C37-C185 PolarHBondContact SG-SG 2.75Å; M38-C185 HydrophobicContact CG-CB 4.24Å; M38-C185 HydrophobicContact SD-CB 4.29Å; E181-C185 WeakPolarHBondContact O-CB 3.41Å; E181-C185 PolarHBondContact O-N 2.88Å; E181-C185 PolarHBondContact O-SG 3.25Å; K182-C185 PolarHBondContact O-N 2.94Å; C185-T187 PolarHBondContact O-N 3.33Å; C185-S188 PolarHBondContact O-N 3.15Å; C185-S188 PolarHBondContact O-OG 2.9Å |
| 186 | M | 86.6 | Confident | 85.7 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.8 | -20.6 | 175.4 | -73.7 | -62.5 | -73.1 | 0 | 0 | 112.6 | F34 K182 D183 K184 S188 M189 K194 F197 | F34-M186 HydrophobicContact CD2-CG 4.2Å; F34-M186 HydrophobicContact CD2-SD 3.7Å; F34-M186 HydrophobicContact CE2-CG 3.72Å; F34-M186 HydrophobicContact CE2-SD 3.51Å; F34-M186 VanDerWaalsContact CE2-SD 3.51Å; F34-M186 HydrophobicContact CZ-SD 4.23Å; K182-M186 HydrophobicContact CG-CG 4.45Å; K182-M186 WeakPolarHBondContact O-CB 3.22Å; K182-M186 WeakPolarHBondContact O-CG 3.48Å; K182-M186 PolarHBondContact O-N 3.08Å; D183-M186 WeakPolarHBondContact O-CB 3.44Å; D183-M186 PolarHBondContact O-N 2.78Å; K184-M186 VanDerWaalsContact C-N 3.26Å; K184-M186 PolarHBondContact O-N 3.42Å; M186-S188 PolarHBondContact O-N 2.83Å; M186-M189 HydrophobicContact CE-SD 4.04Å; M186-M189 PolarHBondContact O-N 3.31Å; M186-M189 VanDerWaalsContact O-N 3.11Å; M186-M189 HydrophobicContact SD-SD 3.59Å; M186-K194 HydrophobicContact CE-CB 4.34Å; M186-K194 HydrophobicContact CE-CD 4.48Å; M186-K194 HydrophobicContact CE-CG 3.8Å; M186-K194 WeakPolarHBondContact O-CE 3.41Å; M186-K194 PolarHBondContact O-NZ 2.95Å; M186-F197 HydrophobicContact CE-CD1 3.72Å; M186-F197 HydrophobicContact CE-CE1 3.78Å; M186-F197 HydrophobicContact SD-CD1 3.96Å; M186-F197 HydrophobicContact SD-CE1 3.41Å; M186-F197 WeakPolarHBondContact SD-CE1 3.45Å; M186-F197 HydrophobicContact SD-CZ 3.97Å |
| 187 | T | 87.9 | Confident | 85.6 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.9 | 179.3 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | D183 K184 C185 M189 | D183-T187 WeakPolarHBondContact O-CG2 3.43Å; D183-T187 PolarHBondContact O-N 3.45Å; K184-T187 PolarHBondContact O-N 3.12Å; K184-T187 VanDerWaalsContact O-N 3.15Å; K184-T187 PolarHBondContact O-OG1 2.85Å; C185-T187 PolarHBondContact O-N 3.33Å; T187-M189 PolarHBondContact O-N 2.96Å |
| 188 | S | 81.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.9 | 175.6 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | C185 M186 | C185-S188 PolarHBondContact O-N 3.15Å; C185-S188 PolarHBondContact O-OG 2.9Å; M186-S188 PolarHBondContact O-N 2.83Å |
| 189 | M | 84.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -100 | 133 | -179.5 | -62.3 | 178.7 | 60.6 | 0 | 0 | 111.6 | E30 F31 F34 M186 T187 C193 K194 F197 | E30-M189 HydrophobicContact CB-CG 4.31Å; E30-M189 WeakPolarHBondContact OE2-CA 3.29Å; F31-M189 HydrophobicContact CD1-CE 3.46Å; F31-M189 VanDerWaalsContact CD1-CE 3.46Å; F31-M189 HydrophobicContact CD1-SD 4.48Å; F31-M189 HydrophobicContact CE1-CE 3.35Å; F34-M189 HydrophobicContact CB-CG 4.4Å; F34-M189 HydrophobicContact CB-SD 3.93Å; F34-M189 HydrophobicContact CD2-SD 4.09Å; F34-M189 HydrophobicContact CG-SD 4.07Å; M186-M189 HydrophobicContact CE-SD 4.04Å; M186-M189 PolarHBondContact O-N 3.31Å; M186-M189 VanDerWaalsContact O-N 3.11Å; M186-M189 HydrophobicContact SD-SD 3.59Å; T187-M189 PolarHBondContact O-N 2.96Å; M189-C193 HydrophobicContact CE-CB 3.96Å; M189-C193 WeakPolarHBondContact CE-O 3.31Å; M189-K194 HydrophobicContact CB-CD 4.49Å; M189-K194 HydrophobicContact CB-CG 3.71Å; M189-K194 HydrophobicContact CE-CG 4.48Å; M189-K194 WeakPolarHBondContact O-CE 3.15Å; M189-K194 PolarHBondContact O-NZ 3.03Å; M189-F197 HydrophobicContact CE-CB 3.78Å; M189-F197 HydrophobicContact CE-CD2 4.2Å; M189-F197 HydrophobicContact CE-CG 4Å |
| 190 | S | 88.6 | Confident | 85.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | trans | -61.2 | 154.9 | 169.4 | 65.7 | 0 | 0 | 0 | 0 | 111 | E30 T192 C193 K194 | E30-S190 WeakPolarHBondContact OE1-CB 3.35Å; E30-S190 PolarHBondContact OE1-OG 2.95Å; E30-S190 PolarHBondContact OE2-N 3.13Å; E30-S190 PolarHBondContact OE2-OG 3.17Å; E30-S190 VanDerWaalsContact OE2-OG 3.05Å; S190-T192 VanDerWaalsContact C-N 3.25Å; S190-T192 PolarHBondContact O-N 3.46Å; S190-C193 PolarHBondContact O-N 3.07Å; S190-C193 PolarHBondContact OG-N 3.17Å; S190-C193 PolarHBondContact OG-SG 3.1Å; S190-K194 WeakPolarHBondContact O-CG 3.48Å; S190-K194 PolarHBondContact O-N 3.3Å | ||
| 191 | P | 90.1 | Very high | 85.3 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54 | -40.5 | 177.9 | -27.7 | 36 | 0 | 0 | 0 | 113.5 | K194 Q195 | P191-K194 WeakPolarHBondContact O-CB 3.46Å; P191-K194 PolarHBondContact O-N 2.99Å; P191-Q195 WeakPolarHBondContact O-CG 3.43Å; P191-Q195 PolarHBondContact O-N 2.62Å; P191-Q195 VanDerWaalsContact O-N 3.08Å |
| 192 | T | 87.8 | Confident | 85.3 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -51.6 | 177.7 | -51.3 | 0 | 0 | 0 | 0 | 111.2 | S190 K194 Q195 E196 | S190-T192 VanDerWaalsContact C-N 3.25Å; S190-T192 PolarHBondContact O-N 3.46Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 2.73Å; T192-Q195 WeakPolarHBondContact O-CB 3.37Å; T192-Q195 PolarHBondContact O-N 3.48Å; T192-E196 PolarHBondContact O-N 2.79Å |
| 193 | C | 85.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -31.8 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | C27 E30 F31 M189 S190 Q195 E196 F197 | C27-C193 WeakPolarHBondContact CA-SG 3.41Å; C27-C193 HydrophobicContact CB-CB 3.73Å; C27-C193 WeakPolarHBondContact CB-SG 3.34Å; C27-C193 WeakPolarHBondContact SG-CA 3.26Å; C27-C193 WeakPolarHBondContact SG-CB 3.32Å; C27-C193 CovalentContact SG-SG 2.04Å; C27-C193 PolarHBondContact SG-SG 3.36Å; E30-C193 HydrophobicContact CB-CB 4.43Å; E30-C193 VanDerWaalsContact CD-SG 3.54Å; E30-C193 WeakPolarHBondContact OE2-CB 3.4Å; E30-C193 PolarHBondContact OE2-SG 3.4Å; E30-C193 VanDerWaalsContact OE2-SG 3.35Å; F31-C193 HydrophobicContact CE1-CB 3.96Å; F31-C193 WeakPolarHBondContact CE1-O 3.13Å; M189-C193 HydrophobicContact CE-CB 3.96Å; M189-C193 WeakPolarHBondContact CE-O 3.31Å; S190-C193 PolarHBondContact O-N 3.07Å; S190-C193 PolarHBondContact OG-N 3.17Å; S190-C193 PolarHBondContact OG-SG 3.1Å; C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.06Å; C193-E196 PolarHBondContact O-N 2.75Å; C193-F197 WeakPolarHBondContact O-CB 3.29Å; C193-F197 PolarHBondContact O-N 3.18Å |
| 194 | K | 86.7 | Confident | 85.1 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 170.8 | -72.1 | 176.5 | 172.6 | 159.7 | 0 | 112.3 | M186 M189 S190 P191 T192 N198 | M186-K194 HydrophobicContact CE-CB 4.34Å; M186-K194 HydrophobicContact CE-CD 4.48Å; M186-K194 HydrophobicContact CE-CG 3.8Å; M186-K194 WeakPolarHBondContact O-CE 3.41Å; M186-K194 PolarHBondContact O-NZ 2.95Å; M189-K194 HydrophobicContact CB-CD 4.49Å; M189-K194 HydrophobicContact CB-CG 3.71Å; M189-K194 HydrophobicContact CE-CG 4.48Å; M189-K194 WeakPolarHBondContact O-CE 3.15Å; M189-K194 PolarHBondContact O-NZ 3.03Å; S190-K194 WeakPolarHBondContact O-CG 3.48Å; S190-K194 PolarHBondContact O-N 3.3Å; P191-K194 WeakPolarHBondContact O-CB 3.46Å; P191-K194 PolarHBondContact O-N 2.99Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 2.73Å; K194-N198 WeakPolarHBondContact O-CB 3.45Å; K194-N198 PolarHBondContact O-N 2.7Å; K194-N198 PolarHBondContact O-ND2 2.93Å; K194-N198 VanDerWaalsContact O-ND2 3.12Å |
| 195 | Q | 86.7 | Confident | 84.9 | Confident | 139 Ų | 139 | 46.5 Ų | 46.5 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.9 | -47 | 177.4 | -71.7 | 176.6 | -4.8 | 0 | 0 | 111.6 | P191 T192 C193 F197 N198 S199 | P191-Q195 WeakPolarHBondContact O-CG 3.43Å; P191-Q195 PolarHBondContact O-N 2.62Å; P191-Q195 VanDerWaalsContact O-N 3.08Å; T192-Q195 WeakPolarHBondContact O-CB 3.37Å; T192-Q195 PolarHBondContact O-N 3.48Å; C193-Q195 VanDerWaalsContact C-N 3.3Å; C193-Q195 PolarHBondContact O-N 3.06Å; Q195-F197 VanDerWaalsContact C-N 3.3Å; Q195-F197 PolarHBondContact O-N 3.11Å; Q195-N198 PolarHBondContact O-N 3.05Å; Q195-N198 VanDerWaalsContact O-N 3.17Å; Q195-S199 PolarHBondContact O-N 3.3Å |
| 196 | E | 82.8 | Confident | 85 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.2 | -75.7 | -176.7 | -164 | 0 | 0 | 112.1 | C27 F31 T192 C193 N198 S199 L200 | C27-E196 WeakPolarHBondContact CB-OE2 3.1Å; C27-E196 PolarHBondContact SG-OE2 3Å; F31-E196 HydrophobicContact CZ-CB 3.98Å; T192-E196 PolarHBondContact O-N 2.79Å; C193-E196 PolarHBondContact O-N 2.75Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.21Å; E196-S199 WeakPolarHBondContact O-CA 3.22Å; E196-S199 VanDerWaalsContact O-CB 3.31Å; E196-S199 WeakPolarHBondContact O-CB 3.3Å; E196-S199 PolarHBondContact O-N 2.87Å; E196-S199 VanDerWaalsContact O-N 3.11Å; E196-L200 PolarHBondContact O-N 3.4Å |
| 197 | F | 80.7 | Confident | 85 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -39.1 | 176.4 | -174.2 | -108.7 | 0 | 0 | 0 | 113.4 | L18 F31 F34 M186 M189 C193 Q195 L200 K201 | L18-F197 HydrophobicContact CB-CE1 4.43Å; L18-F197 HydrophobicContact CB-CE2 3.61Å; L18-F197 HydrophobicContact CB-CZ 3.43Å; L18-F197 VanDerWaalsContact CB-CZ 3.43Å; L18-F197 HydrophobicContact CD1-CE1 3.51Å; L18-F197 HydrophobicContact CD1-CE2 4.27Å; L18-F197 HydrophobicContact CD1-CZ 3.21Å; L18-F197 HydrophobicContact CD2-CD1 3.93Å; L18-F197 HydrophobicContact CD2-CD2 4.06Å; L18-F197 HydrophobicContact CD2-CE1 3.25Å; L18-F197 HydrophobicContact CD2-CE2 3.41Å; L18-F197 VanDerWaalsContact CD2-CE2 3.41Å; L18-F197 HydrophobicContact CD2-CG 4.33Å; L18-F197 HydrophobicContact CD2-CZ 3.02Å; L18-F197 HydrophobicContact CG-CE1 3.75Å; L18-F197 HydrophobicContact CG-CE2 3.81Å; L18-F197 HydrophobicContact CG-CZ 3.2Å; F31-F197 HydrophobicContact CD1-CD2 4.13Å; F31-F197 HydrophobicContact CE1-CB 3.86Å; F31-F197 HydrophobicContact CE1-CD2 4.09Å; F31-F197 HydrophobicContact CE1-CG 4.46Å; F31-F197 HydrophobicContact CZ-CB 4.33Å; F34-F197 HydrophobicContact CD1-CE2 4.06Å; F34-F197 AromaticContact CD1-CZ 3.8Å; F34-F197 HydrophobicContact CD1-CZ 3.8Å; F34-F197 HydrophobicContact CE1-CE2 4.18Å; F34-F197 AromaticContact CE1-CZ 3.56Å; F34-F197 HydrophobicContact CE1-CZ 3.56Å; F34-F197 HydrophobicContact CE2-CZ 4.38Å; F34-F197 HydrophobicContact CG-CZ 4.34Å; F34-F197 AromaticContact CZ-CZ 3.87Å; F34-F197 HydrophobicContact CZ-CZ 3.87Å; M186-F197 HydrophobicContact CE-CD1 3.72Å; M186-F197 HydrophobicContact CE-CE1 3.78Å; M186-F197 HydrophobicContact SD-CD1 3.96Å; M186-F197 HydrophobicContact SD-CE1 3.41Å; M186-F197 WeakPolarHBondContact SD-CE1 3.45Å; M186-F197 HydrophobicContact SD-CZ 3.97Å; M189-F197 HydrophobicContact CE-CB 3.78Å; M189-F197 HydrophobicContact CE-CD2 4.2Å; M189-F197 HydrophobicContact CE-CG 4Å; C193-F197 WeakPolarHBondContact O-CB 3.29Å; C193-F197 PolarHBondContact O-N 3.18Å; Q195-F197 VanDerWaalsContact C-N 3.3Å; Q195-F197 PolarHBondContact O-N 3.11Å; F197-L200 PolarHBondContact O-N 3.25Å; F197-K201 PolarHBondContact O-N 3.47Å |
| 198 | N | 83.3 | Confident | 84.9 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 173.3 | -73.8 | -30.6 | 0 | 0 | 0 | 111.8 | K194 Q195 E196 K201 K202 | K194-N198 WeakPolarHBondContact O-CB 3.45Å; K194-N198 PolarHBondContact O-N 2.7Å; K194-N198 PolarHBondContact O-ND2 2.93Å; K194-N198 VanDerWaalsContact O-ND2 3.12Å; Q195-N198 PolarHBondContact O-N 3.05Å; Q195-N198 VanDerWaalsContact O-N 3.17Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.21Å; N198-K201 PolarHBondContact O-N 2.92Å; N198-K201 WeakPolarHBondContact OD1-CE 2.89Å; N198-K201 PolarHBondContact OD1-NZ 2.69Å; N198-K202 WeakPolarHBondContact O-CG 3.24Å; N198-K202 PolarHBondContact O-N 3.03Å; N198-K202 VanDerWaalsContact O-N 3.11Å |
| 199 | S | 84.8 | Confident | 85.2 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | Q195 E196 K201 K202 E203 | Q195-S199 PolarHBondContact O-N 3.3Å; E196-S199 WeakPolarHBondContact O-CA 3.22Å; E196-S199 VanDerWaalsContact O-CB 3.31Å; E196-S199 WeakPolarHBondContact O-CB 3.3Å; E196-S199 PolarHBondContact O-N 2.87Å; E196-S199 VanDerWaalsContact O-N 3.11Å; S199-K201 PolarHBondContact O-N 3.19Å; S199-K202 WeakPolarHBondContact O-CB 3.49Å; S199-K202 PolarHBondContact O-N 2.78Å; S199-E203 PolarHBondContact O-N 2.99Å |
| 200 | L | 80.9 | Confident | 85.5 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.8 | 177.7 | 62.2 | 0 | 0 | 0 | 112.4 | N19 G20 A21 V99 F103 F106 E196 F197 K202 E203 V204 | N19-L200 WeakPolarHBondContact O-CD2 3.31Å; G20-L200 VanDerWaalsContact CA-CD2 3.44Å; A21-L200 HydrophobicContact CB-CD1 4.28Å; A21-L200 HydrophobicContact CB-CD2 4.37Å; V99-L200 HydrophobicContact CG1-CD1 3.66Å; F103-L200 HydrophobicContact CB-CD1 4.23Å; F103-L200 HydrophobicContact CD1-CD1 4.06Å; F103-L200 HydrophobicContact CD2-CD1 3.7Å; F103-L200 HydrophobicContact CE1-CB 3.98Å; F103-L200 HydrophobicContact CE1-CD1 4.34Å; F103-L200 HydrophobicContact CE2-CB 4.15Å; F103-L200 HydrophobicContact CE2-CD1 4Å; F103-L200 HydrophobicContact CG-CD1 3.75Å; F103-L200 HydrophobicContact CZ-CB 3.79Å; F103-L200 HydrophobicContact CZ-CD1 4.31Å; F106-L200 HydrophobicContact CD2-CD1 3.9Å; F106-L200 HydrophobicContact CE2-CD1 4.24Å; E196-L200 PolarHBondContact O-N 3.4Å; F197-L200 PolarHBondContact O-N 3.25Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.23Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.39Å; L200-E203 VanDerWaalsContact O-N 3.14Å; L200-V204 HydrophobicContact CD1-CG2 4.13Å; L200-V204 HydrophobicContact CG-CG2 4.4Å; L200-V204 WeakPolarHBondContact O-CG2 3.26Å; L200-V204 PolarHBondContact O-N 2.89Å |
| 201 | K | 80.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 10% | 0.104 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.4 | -47.8 | 174.3 | -88.3 | -171.1 | -71.4 | -178.6 | 0 | 112.2 | L18 F197 N198 S199 E203 V204 V205 P256 | L18-K201 HydrophobicContact CD2-CD 3.44Å; L18-K201 VanDerWaalsContact CD2-CD 3.44Å; L18-K201 HydrophobicContact CD2-CG 3.21Å; F197-K201 PolarHBondContact O-N 3.47Å; N198-K201 PolarHBondContact O-N 2.92Å; N198-K201 WeakPolarHBondContact OD1-CE 2.89Å; N198-K201 PolarHBondContact OD1-NZ 2.69Å; S199-K201 PolarHBondContact O-N 3.19Å; K201-E203 VanDerWaalsContact C-N 3.28Å; K201-E203 PolarHBondContact O-N 2.85Å; K201-V204 PolarHBondContact O-N 3.4Å; K201-V205 WeakPolarHBondContact O-CB 3.49Å; K201-V205 VanDerWaalsContact O-CG2 3.29Å; K201-V205 WeakPolarHBondContact O-CG2 3.39Å; K201-V205 PolarHBondContact O-N 3.49Å; K201-P256 HydrophobicContact CB-CB 4.24Å |
| 202 | K | 85.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 39 Ų | 39 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 178.7 | -73.2 | 176.7 | 178.3 | -176.1 | 0 | 110.7 | N198 S199 L200 V205 N206 P256 | N198-K202 WeakPolarHBondContact O-CG 3.24Å; N198-K202 PolarHBondContact O-N 3.03Å; N198-K202 VanDerWaalsContact O-N 3.11Å; S199-K202 WeakPolarHBondContact O-CB 3.49Å; S199-K202 PolarHBondContact O-N 2.78Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.23Å; K202-V205 PolarHBondContact O-N 3.08Å; K202-N206 WeakPolarHBondContact O-CB 3.31Å; K202-N206 PolarHBondContact O-N 3.04Å; K202-N206 PolarHBondContact O-ND2 2.9Å; K202-P256 HydrophobicContact CG-CB 4.37Å; K202-P256 HydrophobicContact CG-CG 3.86Å |
| 203 | E | 85.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 178.5 | -155.2 | 59.7 | -122.7 | 0 | 0 | 112 | V99 K102 F103 S199 L200 K201 V205 N206 C207 | V99-E203 HydrophobicContact CG2-CG 4.45Å; K102-E203 HydrophobicContact CB-CG 4.45Å; K102-E203 HydrophobicContact CD-CG 4.11Å; K102-E203 WeakPolarHBondContact CD-OE2 3.42Å; K102-E203 IonicContact NZ-OE2 2.84Å; K102-E203 PolarHBondContact NZ-OE2 3.47Å; F103-E203 HydrophobicContact CD2-CB 4.33Å; F103-E203 HydrophobicContact CD2-CG 4.3Å; F103-E203 HydrophobicContact CE2-CB 3.98Å; F103-E203 HydrophobicContact CE2-CG 4.28Å; S199-E203 PolarHBondContact O-N 2.99Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.39Å; L200-E203 VanDerWaalsContact O-N 3.14Å; K201-E203 VanDerWaalsContact C-N 3.28Å; K201-E203 PolarHBondContact O-N 2.85Å; E203-V205 VanDerWaalsContact C-N 3.3Å; E203-V205 PolarHBondContact O-N 3.08Å; E203-N206 PolarHBondContact O-N 3.11Å; E203-N206 VanDerWaalsContact O-N 3.15Å; E203-C207 WeakPolarHBondContact O-CB 3.14Å; E203-C207 PolarHBondContact O-N 3Å; E203-C207 PolarHBondContact O-SG 3.18Å; E203-C207 VanDerWaalsContact O-SG 3.36Å |
| 204 | V | 83.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | V15 V95 V99 F106 L200 K201 A208 | V15-V204 HydrophobicContact CG1-CG1 3.82Å; V95-V204 HydrophobicContact CG1-CG1 4.38Å; V99-V204 HydrophobicContact CG1-CG2 4.38Å; V99-V204 HydrophobicContact CG2-CB 4.48Å; V99-V204 HydrophobicContact CG2-CG2 3.93Å; F106-V204 HydrophobicContact CE2-CG2 3.8Å; F106-V204 HydrophobicContact CZ-CG2 3.75Å; L200-V204 HydrophobicContact CD1-CG2 4.13Å; L200-V204 HydrophobicContact CG-CG2 4.4Å; L200-V204 WeakPolarHBondContact O-CG2 3.26Å; L200-V204 PolarHBondContact O-N 2.89Å; K201-V204 PolarHBondContact O-N 3.4Å; V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.26Å |
| 205 | V | 84.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.2 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | K201 K202 E203 A208 C209 M252 R253 P256 | K201-V205 WeakPolarHBondContact O-CB 3.49Å; K201-V205 VanDerWaalsContact O-CG2 3.29Å; K201-V205 WeakPolarHBondContact O-CG2 3.39Å; K201-V205 PolarHBondContact O-N 3.49Å; K202-V205 PolarHBondContact O-N 3.08Å; E203-V205 VanDerWaalsContact C-N 3.3Å; E203-V205 PolarHBondContact O-N 3.08Å; V205-A208 PolarHBondContact O-N 3.41Å; V205-C209 WeakPolarHBondContact O-CB 3.34Å; V205-C209 PolarHBondContact O-N 3.1Å; V205-C209 PolarHBondContact O-SG 3.04Å; V205-M252 HydrophobicContact CG1-CB 3.59Å; V205-M252 HydrophobicContact CG2-CB 4.18Å; V205-M252 HydrophobicContact CG2-CE 3.86Å; V205-R253 HydrophobicContact CG1-CG 4.02Å; V205-P256 HydrophobicContact CG2-CB 4.21Å |
| 206 | N | 88.6 | Confident | 85.4 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 179.8 | -75.6 | -22 | 0 | 0 | 0 | 111.5 | K202 E203 C209 G210 | K202-N206 WeakPolarHBondContact O-CB 3.31Å; K202-N206 PolarHBondContact O-N 3.04Å; K202-N206 PolarHBondContact O-ND2 2.9Å; E203-N206 PolarHBondContact O-N 3.11Å; E203-N206 VanDerWaalsContact O-N 3.15Å; N206-C209 PolarHBondContact O-N 3.4Å; N206-G210 PolarHBondContact O-N 3.19Å |
| 207 | C | 86.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 177.4 | -71 | 0 | 0 | 0 | 0 | 112 | V95 C98 V99 E203 C209 G210 Q211 | V95-C207 HydrophobicContact CG1-CB 4.19Å; C98-C207 HydrophobicContact CB-CB 3.61Å; C98-C207 WeakPolarHBondContact CB-SG 3.23Å; C98-C207 VanDerWaalsContact SG-CA 3.51Å; C98-C207 WeakPolarHBondContact SG-CB 3.49Å; C98-C207 CovalentContact SG-SG 2.03Å; C98-C207 PolarHBondContact SG-SG 2.85Å; V99-C207 HydrophobicContact CG2-CB 3.97Å; E203-C207 WeakPolarHBondContact O-CB 3.14Å; E203-C207 PolarHBondContact O-N 3Å; E203-C207 PolarHBondContact O-SG 3.18Å; E203-C207 VanDerWaalsContact O-SG 3.36Å; C207-C209 PolarHBondContact O-N 3.38Å; C207-G210 PolarHBondContact O-N 3.39Å; C207-Q211 WeakPolarHBondContact O-CG 3.45Å; C207-Q211 PolarHBondContact O-N 2.99Å |
| 208 | A | 85.5 | Confident | 85.6 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V95 V204 V205 Q211 L212 | V95-A208 HydrophobicContact CG2-CB 3.96Å; V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.26Å; V205-A208 PolarHBondContact O-N 3.41Å; A208-Q211 PolarHBondContact O-N 3.22Å; A208-L212 WeakPolarHBondContact O-CB 3.48Å; A208-L212 WeakPolarHBondContact O-CG 3.48Å; A208-L212 PolarHBondContact O-N 3.43Å |
| 209 | C | 87.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71 | -34 | 179.7 | -75.5 | 0 | 0 | 0 | 0 | 113.6 | V205 N206 C207 Q211 L212 E213 C249 R253 | V205-C209 WeakPolarHBondContact O-CB 3.34Å; V205-C209 PolarHBondContact O-N 3.1Å; V205-C209 PolarHBondContact O-SG 3.04Å; N206-C209 PolarHBondContact O-N 3.4Å; C207-C209 PolarHBondContact O-N 3.38Å; C209-Q211 PolarHBondContact O-N 2.92Å; C209-L212 PolarHBondContact O-N 2.98Å; C209-E213 WeakPolarHBondContact O-CB 3.33Å; C209-E213 WeakPolarHBondContact O-CG 3Å; C209-E213 PolarHBondContact O-N 3.18Å; C209-C249 WeakPolarHBondContact CA-SG 3.36Å; C209-C249 HydrophobicContact CB-CB 3.59Å; C209-C249 WeakPolarHBondContact CB-SG 3.49Å; C209-C249 WeakPolarHBondContact SG-CA 3.21Å; C209-C249 WeakPolarHBondContact SG-CB 3.45Å; C209-C249 CovalentContact SG-SG 2.04Å; C209-C249 PolarHBondContact SG-SG 3.37Å; C209-R253 VanDerWaalsContact CB-NH2 3.35Å |
| 210 | G | 89.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 34.1 Ų | 34.1 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.4 | -28.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N206 C207 P214 | N206-G210 PolarHBondContact O-N 3.19Å; C207-G210 PolarHBondContact O-N 3.39Å; G210-P214 WeakPolarHBondContact O-CD 3.29Å; G210-P214 WeakPolarHBondContact O-CG 3.33Å |
| 211 | Q | 87.1 | Confident | 84.8 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -86.8 | -40.7 | 172.7 | -63 | -55.1 | -42.3 | 0 | 0 | 113.2 | L91 K94 C207 A208 C209 N215 | L91-Q211 HydrophobicContact CD1-CB 3.61Å; L91-Q211 HydrophobicContact CD1-CG 4.33Å; K94-Q211 HydrophobicContact CB-CG 3.98Å; K94-Q211 HydrophobicContact CD-CG 4.43Å; K94-Q211 VanDerWaalsContact CD-OE1 3.24Å; C207-Q211 WeakPolarHBondContact O-CG 3.45Å; C207-Q211 PolarHBondContact O-N 2.99Å; A208-Q211 PolarHBondContact O-N 3.22Å; C209-Q211 PolarHBondContact O-N 2.92Å; Q211-N215 WeakPolarHBondContact O-CB 3.33Å; Q211-N215 PolarHBondContact O-ND2 3.16Å |
| 212 | L | 85.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.3 | -44 | -173.8 | -73.7 | 169.6 | 0 | 0 | 0 | 113 | L12 L91 A208 C209 N215 A216 Y219 I245 | L12-L212 HydrophobicContact CD2-CD1 4.03Å; L91-L212 HydrophobicContact CD1-CD2 4.45Å; L91-L212 HydrophobicContact CD1-CG 4.44Å; L91-L212 HydrophobicContact CD2-CD2 3.87Å; L91-L212 HydrophobicContact CD2-CG 4.45Å; A208-L212 WeakPolarHBondContact O-CB 3.48Å; A208-L212 WeakPolarHBondContact O-CG 3.48Å; A208-L212 PolarHBondContact O-N 3.43Å; C209-L212 PolarHBondContact O-N 2.98Å; L212-N215 CarbonylContact O-C 3.5Å; L212-N215 PolarHBondContact O-N 3.01Å; L212-A216 VanDerWaalsContact O-CA 3.25Å; L212-A216 WeakPolarHBondContact O-CA 3.42Å; L212-A216 PolarHBondContact O-N 2.88Å; L212-Y219 HydrophobicContact CD2-CD1 4.26Å; L212-Y219 HydrophobicContact CD2-CD2 3.56Å; L212-Y219 HydrophobicContact CD2-CE2 3.95Å; L212-Y219 HydrophobicContact CD2-CG 3.72Å; L212-I245 HydrophobicContact CB-CG2 3.81Å |
| 213 | E | 88.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -48.2 | -173.1 | -66.9 | 173.9 | 142.8 | 0 | 0 | 113 | C209 N215 A216 C249 R253 | C209-E213 WeakPolarHBondContact O-CB 3.33Å; C209-E213 WeakPolarHBondContact O-CG 3Å; C209-E213 PolarHBondContact O-N 3.18Å; E213-N215 PolarHBondContact O-N 2.91Å; E213-A216 PolarHBondContact O-N 3.05Å; E213-C249 HydrophobicContact CG-CB 3.9Å; E213-C249 WeakPolarHBondContact OE1-CB 3.43Å; E213-R253 IonicContact OE1-CZ 3.78Å; E213-R253 IonicContact OE1-NH1 2.85Å; E213-R253 PolarHBondContact OE1-NH1 3.08Å; E213-R253 IonicContact OE1-NH2 3.94Å; E213-R253 IonicContact OE2-CZ 3.21Å; E213-R253 IonicContact OE2-NH1 2.82Å; E213-R253 PolarHBondContact OE2-NH1 2.94Å; E213-R253 IonicContact OE2-NH2 2.7Å; E213-R253 PolarHBondContact OE2-NH2 2.81Å |
| 214 | P | 89.8 | Confident | 82.8 | Confident | 103 Ų | 103 | 29 Ų | 29 | 67% | 0.669 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22.8 | 178.6 | -18.9 | 33.8 | 0 | 0 | 0 | 112.9 | G210 | G210-P214 WeakPolarHBondContact O-CD 3.29Å; G210-P214 WeakPolarHBondContact O-CG 3.33Å |
| 215 | N | 87.6 | Confident | 81.9 | Confident | 57 Ų | 57 | 29 Ų | 29 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 24.2 | -175.5 | -60.1 | -79.4 | 0 | 0 | 0 | 112.2 | Q211 L212 E213 A217 K218 Y219 | Q211-N215 WeakPolarHBondContact O-CB 3.33Å; Q211-N215 PolarHBondContact O-ND2 3.16Å; L212-N215 CarbonylContact O-C 3.5Å; L212-N215 PolarHBondContact O-N 3.01Å; E213-N215 PolarHBondContact O-N 2.91Å; N215-A217 PolarHBondContact O-N 3.31Å; N215-A217 VanDerWaalsContact O-N 3.17Å; N215-K218 HydrophobicContact CB-CB 4.38Å; N215-K218 WeakPolarHBondContact O-CB 3.07Å; N215-K218 PolarHBondContact O-N 2.04Å; N215-Y219 HydrophobicContact CB-CD2 3.81Å; N215-Y219 HydrophobicContact CB-CE2 3.59Å; N215-Y219 VanDerWaalsContact O-CD2 3.31Å; N215-Y219 WeakPolarHBondContact O-CD2 3.37Å; N215-Y219 PolarHBondContact O-N 3.49Å; N215-Y219 VanDerWaalsContact O-N 3.13Å |
| 216 | A | 84.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.6 | -40.1 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | L212 E213 Y219 A220 E242 I245 | L212-A216 VanDerWaalsContact O-CA 3.25Å; L212-A216 WeakPolarHBondContact O-CA 3.42Å; L212-A216 PolarHBondContact O-N 2.88Å; E213-A216 PolarHBondContact O-N 3.05Å; A216-Y219 PolarHBondContact O-N 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.43Å; A216-A220 PolarHBondContact O-N 2.99Å; A216-E242 HydrophobicContact CB-CG 3.96Å; A216-I245 HydrophobicContact CB-CB 4.18Å; A216-I245 HydrophobicContact CB-CD1 3.85Å; A216-I245 HydrophobicContact CB-CG2 4.18Å; A216-I245 WeakPolarHBondContact O-CD1 3.32Å |
| 217 | A | 84.8 | Confident | 79.1 | Confident | 41 Ų | 41 | 27 Ų | 27 | 34% | 0.339 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N215 H221 | N215-A217 PolarHBondContact O-N 3.31Å; N215-A217 VanDerWaalsContact O-N 3.17Å; A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.92Å |
| 218 | K | 83.8 | Confident | 77.4 | Confident | 75 Ų | 75 | 27.1 Ų | 27.1 | 33% | 0.326 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.2 | -53.6 | 176 | 178.3 | -174 | 176.8 | -173.3 | 0 | 109.6 | E90 N215 H221 E222 | E90-K218 IonicContact OE2-NZ 2.62Å; E90-K218 PolarHBondContact OE2-NZ 3.49Å; N215-K218 HydrophobicContact CB-CB 4.38Å; N215-K218 WeakPolarHBondContact O-CB 3.07Å; N215-K218 PolarHBondContact O-N 2.04Å; K218-H221 PolarHBondContact O-N 3.32Å; K218-E222 WeakPolarHBondContact O-CG 3.28Å; K218-E222 PolarHBondContact O-N 2.92Å |
| 219 | Y | 78.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70 | -34.7 | -177.1 | -67.2 | -64.4 | 0 | 0 | 0 | 113 | V87 L91 L212 N215 A216 L223 | V87-Y219 HydrophobicContact CG1-CD1 3.83Å; V87-Y219 HydrophobicContact CG1-CE1 3.69Å; L91-Y219 HydrophobicContact CB-CE1 3.84Å; L91-Y219 HydrophobicContact CD1-CE1 4.38Å; L91-Y219 HydrophobicContact CD1-CE2 4.44Å; L91-Y219 HydrophobicContact CD2-CD1 4.43Å; L91-Y219 HydrophobicContact CD2-CE1 4.02Å; L91-Y219 HydrophobicContact CG-CE1 4.29Å; L212-Y219 HydrophobicContact CD2-CD1 4.26Å; L212-Y219 HydrophobicContact CD2-CD2 3.56Å; L212-Y219 HydrophobicContact CD2-CE2 3.95Å; L212-Y219 HydrophobicContact CD2-CG 3.72Å; N215-Y219 HydrophobicContact CB-CD2 3.81Å; N215-Y219 HydrophobicContact CB-CE2 3.59Å; N215-Y219 VanDerWaalsContact O-CD2 3.31Å; N215-Y219 WeakPolarHBondContact O-CD2 3.37Å; N215-Y219 PolarHBondContact O-N 3.49Å; N215-Y219 VanDerWaalsContact O-N 3.13Å; A216-Y219 PolarHBondContact O-N 3.3Å; Y219-L223 WeakPolarHBondContact O-CB 3.14Å; Y219-L223 PolarHBondContact O-N 3.21Å |
| 220 | A | 77.6 | Confident | 74 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A216 L224 V241 E242 | A216-A220 WeakPolarHBondContact O-CB 3.43Å; A216-A220 PolarHBondContact O-N 2.99Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 VanDerWaalsContact O-CG 3.23Å; A220-L224 WeakPolarHBondContact O-CG 3.26Å; A220-L224 PolarHBondContact O-N 2.95Å; A220-L224 VanDerWaalsContact O-N 3.08Å; A220-V241 HydrophobicContact CB-CB 3.92Å; A220-V241 HydrophobicContact CB-CG1 3.58Å; A220-E242 HydrophobicContact CB-CB 4.13Å |
| 221 | H | 75.6 | Confident | 72.3 | Confident | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -54.4 | 176.7 | 179.4 | 81.2 | 0 | 0 | 0 | 111.2 | A217 K218 L223 L224 S225 D231 P233 | A217-H221 WeakPolarHBondContact O-CB 3.45Å; A217-H221 PolarHBondContact O-N 2.92Å; K218-H221 PolarHBondContact O-N 3.32Å; H221-L223 PolarHBondContact O-N 3.45Å; H221-L224 PolarHBondContact O-N 3.22Å; H221-L224 VanDerWaalsContact O-N 3.08Å; H221-S225 PolarHBondContact O-N 3.41Å; H221-S225 PolarHBondContact O-OG 2.98Å; H221-S225 VanDerWaalsContact O-OG 3.11Å; H221-D231 PolarHBondContact CE1-O 3.43Å; H221-P233 WeakPolarHBondContact ND1-CG 3.44Å |
| 222 | E | 71.8 | Confident | 70.8 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -36.6 | -175.5 | -66.7 | -69.9 | 170.5 | 0 | 0 | 112.4 | K84 V87 K218 L224 S225 C226 | K84-E222 IonicContact NZ-OE1 3.53Å; V87-E222 HydrophobicContact CB-CB 4.43Å; V87-E222 HydrophobicContact CB-CG 4.24Å; V87-E222 HydrophobicContact CG1-CB 4.16Å; V87-E222 HydrophobicContact CG1-CG 4.05Å; V87-E222 HydrophobicContact CG2-CG 3.93Å; K218-E222 WeakPolarHBondContact O-CG 3.28Å; K218-E222 PolarHBondContact O-N 2.92Å; E222-L224 PolarHBondContact O-N 3.38Å; E222-S225 PolarHBondContact O-N 3.19Å; E222-C226 WeakPolarHBondContact O-CB 3.35Å; E222-C226 PolarHBondContact O-N 3.42Å; E222-C226 PolarHBondContact O-SG 3.11Å |
| 223 | L | 69.5 | Low | 69.6 | Low | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -48.5 | 170.7 | 179.2 | 68 | 0 | 0 | 0 | 110.9 | L8 F88 Y219 H221 S225 C226 L227 V241 | L8-L223 HydrophobicContact CD1-CD2 4.4Å; L8-L223 HydrophobicContact CD2-CD2 3.69Å; L8-L223 HydrophobicContact CG-CD2 3.5Å; F88-L223 HydrophobicContact CZ-CB 4.2Å; F88-L223 HydrophobicContact CZ-CD1 4.37Å; Y219-L223 WeakPolarHBondContact O-CB 3.14Å; Y219-L223 PolarHBondContact O-N 3.21Å; H221-L223 PolarHBondContact O-N 3.45Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-S225 PolarHBondContact O-N 2.85Å; L223-C226 PolarHBondContact O-N 3.28Å; L223-L227 HydrophobicContact CG-CD1 4.24Å; L223-L227 VanDerWaalsContact O-CG 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 2.78Å; L223-V241 HydrophobicContact CD2-CG1 4.01Å |
| 224 | L | 67.4 | Low | 68.6 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | -179.2 | -69.6 | -176.1 | 0 | 0 | 0 | 112 | C4 A220 H221 E222 L227 G228 K229 P233 K238 V241 | C4-L224 VanDerWaalsContact SG-CD2 3.59Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 VanDerWaalsContact O-CG 3.23Å; A220-L224 WeakPolarHBondContact O-CG 3.26Å; A220-L224 PolarHBondContact O-N 2.95Å; A220-L224 VanDerWaalsContact O-N 3.08Å; H221-L224 PolarHBondContact O-N 3.22Å; H221-L224 VanDerWaalsContact O-N 3.08Å; E222-L224 PolarHBondContact O-N 3.38Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 WeakPolarHBondContact O-CB 3.3Å; L224-L227 PolarHBondContact O-N 3.31Å; L224-L227 VanDerWaalsContact O-N 3.15Å; L224-G228 PolarHBondContact O-N 2.94Å; L224-K229 HydrophobicContact CB-CB 4.23Å; L224-K229 HydrophobicContact CB-CD 4.13Å; L224-K229 HydrophobicContact CB-CG 4.38Å; L224-K229 HydrophobicContact CD1-CD 4.3Å; L224-K229 HydrophobicContact CD2-CD 3.75Å; L224-K229 VanDerWaalsContact CD2-NZ 3.34Å; L224-K229 HydrophobicContact CG-CD 4.27Å; L224-K229 VanDerWaalsContact O-CB 3.29Å; L224-K229 WeakPolarHBondContact O-CB 3.32Å; L224-K229 PolarHBondContact O-N 2.98Å; L224-P233 HydrophobicContact CB-CB 3.77Å; L224-P233 HydrophobicContact CD1-CB 3.71Å; L224-P233 HydrophobicContact CG-CB 4.4Å; L224-K238 HydrophobicContact CD1-CB 4Å; L224-V241 HydrophobicContact CD1-CG2 4.5Å; L224-V241 HydrophobicContact CD2-CG2 4.02Å; L224-V241 HydrophobicContact CG-CG2 4.39Å |
| 225 | S | 65.3 | Low | 67.8 | Low | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 172.2 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | H221 E222 L223 L227 G228 K229 | H221-S225 PolarHBondContact O-N 3.41Å; H221-S225 PolarHBondContact O-OG 2.98Å; H221-S225 VanDerWaalsContact O-OG 3.11Å; E222-S225 PolarHBondContact O-N 3.19Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-S225 PolarHBondContact O-N 2.85Å; S225-L227 PolarHBondContact O-N 3.42Å; S225-G228 WeakPolarHBondContact O-CA 3.48Å; S225-G228 PolarHBondContact O-N 2.62Å; S225-K229 WeakPolarHBondContact CA-O 3.29Å |
| 226 | C | 58.9 | Low | 67.1 | Low | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.101 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -27.2 | 175.2 | -70.1 | 0 | 0 | 0 | 0 | 113.5 | C83 R133 E222 L223 G228 | C83-C226 WeakPolarHBondContact CA-SG 3.12Å; C83-C226 HydrophobicContact CB-CB 3.79Å; C83-C226 WeakPolarHBondContact CB-SG 3.32Å; C83-C226 WeakPolarHBondContact SG-CB 3.48Å; C83-C226 CovalentContact SG-SG 2.03Å; C83-C226 PolarHBondContact SG-SG 3.32Å; R133-C226 VanDerWaalsContact CZ-O 3.3Å; R133-C226 PolarHBondContact NH2-O 3.37Å; E222-C226 WeakPolarHBondContact O-CB 3.35Å; E222-C226 PolarHBondContact O-N 3.42Å; E222-C226 PolarHBondContact O-SG 3.11Å; L223-C226 PolarHBondContact O-N 3.28Å; C226-G228 PolarHBondContact O-N 3.19Å |
| 227 | L | 54.8 | Low | 66.3 | Low | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.4 | 173.4 | -66.9 | 178.5 | 0 | 0 | 0 | 113.6 | L7 L223 L224 S225 K229 | L7-L227 HydrophobicContact CB-CD1 4.44Å; L7-L227 HydrophobicContact CB-CD2 4.49Å; L7-L227 HydrophobicContact CD1-CD1 3.9Å; L7-L227 HydrophobicContact CD1-CD2 3.3Å; L7-L227 HydrophobicContact CD1-CG 4.23Å; L7-L227 HydrophobicContact CD2-CD2 3.79Å; L7-L227 HydrophobicContact CG-CD2 4.02Å; L223-L227 HydrophobicContact CG-CD1 4.24Å; L223-L227 VanDerWaalsContact O-CG 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 2.78Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 WeakPolarHBondContact O-CB 3.3Å; L224-L227 PolarHBondContact O-N 3.31Å; L224-L227 VanDerWaalsContact O-N 3.15Å; S225-L227 PolarHBondContact O-N 3.42Å; L227-K229 VanDerWaalsContact C-N 3.34Å |
| 228 | G | 52.8 | Low | 65.8 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 23 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R140 L224 S225 C226 | R140-G228 VanDerWaalsContact CZ-O 3.25Å; R140-G228 PolarHBondContact NH1-O 3.37Å; R140-G228 PolarHBondContact NH2-O 2.82Å; L224-G228 PolarHBondContact O-N 2.94Å; S225-G228 WeakPolarHBondContact O-CA 3.48Å; S225-G228 PolarHBondContact O-N 2.62Å; C226-G228 PolarHBondContact O-N 3.19Å |
| 229 | K | 52.6 | Low | 65.6 | Low | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.135 | 27% | 0.266 | C | S | . | . | trans | -73.3 | 134.8 | 155.2 | -55.8 | -163.8 | -172.6 | 168.1 | 0 | 105.3 | L224 S225 L227 P233 | L224-K229 HydrophobicContact CB-CB 4.23Å; L224-K229 HydrophobicContact CB-CD 4.13Å; L224-K229 HydrophobicContact CB-CG 4.38Å; L224-K229 HydrophobicContact CD1-CD 4.3Å; L224-K229 HydrophobicContact CD2-CD 3.75Å; L224-K229 VanDerWaalsContact CD2-NZ 3.34Å; L224-K229 HydrophobicContact CG-CD 4.27Å; L224-K229 VanDerWaalsContact O-CB 3.29Å; L224-K229 WeakPolarHBondContact O-CB 3.32Å; L224-K229 PolarHBondContact O-N 2.98Å; S225-K229 WeakPolarHBondContact CA-O 3.29Å; L227-K229 VanDerWaalsContact C-N 3.34Å; K229-P233 HydrophobicContact CB-CB 4.23Å | ||
| 230 | T | 48.2 | Very low | 65.4 | Low | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 29% | 0.293 | S | S | . | . | trans | -44.3 | 164.2 | 178.5 | 38.3 | 0 | 0 | 0 | 0 | 112.5 | R232 P233 | T230-R232 CarbonylContact O-C 3.32Å; T230-R232 PolarHBondContact O-N 2.92Å; T230-R232 PolarHBondContact OG1-O 2.64Å; T230-P233 WeakPolarHBondContact O-CD 3.05Å; T230-P233 VanDerWaalsContact O-N 3.1Å | ||
| 231 | D | 54.2 | Low | 65.3 | Low | 132 Ų | 132 | 61.1 Ų | 61.1 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -50.5 | -19.7 | 171.2 | -56.2 | -38.5 | 0 | 0 | 0 | 112.7 | H221 P233 | H221-D231 PolarHBondContact CE1-O 3.43Å; D231-P233 VanDerWaalsContact O-CD 3.29Å; D231-P233 WeakPolarHBondContact O-CD 3.08Å |
| 232 | R | 54.8 | Low | 65.5 | Low | 220 Ų | 220 | 62.1 Ų | 62.1 | 83% | 0.83 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -103.3 | 86 | 162.3 | -62.1 | -178.8 | -179.3 | 178.9 | -0.2 | 110.6 | T230 N234 | T230-R232 CarbonylContact O-C 3.32Å; T230-R232 PolarHBondContact O-N 2.92Å; T230-R232 PolarHBondContact OG1-O 2.64Å; R232-N234 PolarHBondContact O-N 2.92Å |
| 233 | P | 60.7 | Low | 66 | Low | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | trans | -60.4 | 141.4 | 171 | 24.6 | -32.1 | 0 | 0 | 0 | 108.9 | H221 L224 K229 T230 D231 E235 | H221-P233 WeakPolarHBondContact ND1-CG 3.44Å; L224-P233 HydrophobicContact CB-CB 3.77Å; L224-P233 HydrophobicContact CD1-CB 3.71Å; L224-P233 HydrophobicContact CG-CB 4.4Å; K229-P233 HydrophobicContact CB-CB 4.23Å; T230-P233 WeakPolarHBondContact O-CD 3.05Å; T230-P233 VanDerWaalsContact O-N 3.1Å; D231-P233 VanDerWaalsContact O-CD 3.29Å; D231-P233 WeakPolarHBondContact O-CD 3.08Å; P233-E235 PolarHBondContact O-N 3.15Å | ||
| 234 | N | 66.2 | Low | 66.5 | Low | 83 Ų | 83 | 64.8 Ų | 64.8 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | trans | -55.4 | 120.4 | 173.5 | 163.1 | -40.2 | 0 | 0 | 0 | 109 | R232 T236 Y237 K238 | R232-N234 PolarHBondContact O-N 2.92Å; N234-T236 PolarHBondContact O-N 3.24Å; N234-T236 WeakPolarHBondContact OD1-CB 3.41Å; N234-T236 PolarHBondContact OD1-N 2.03Å; N234-T236 PolarHBondContact OD1-OG1 2.78Å; N234-Y237 HydrophobicContact CB-CD2 3.74Å; N234-Y237 HydrophobicContact CB-CE2 4.35Å; N234-Y237 WeakPolarHBondContact O-CB 3.29Å; N234-Y237 PolarHBondContact O-N 3.04Å; N234-Y237 WeakPolarHBondContact OD1-CD2 3.35Å; N234-Y237 PolarHBondContact OD1-N 3.12Å; N234-K238 PolarHBondContact O-N 3.14Å; N234-K238 VanDerWaalsContact O-N 3.1Å | ||
| 235 | E | 73.6 | Confident | 67.2 | Low | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.6 | -35.2 | -171.8 | -78.6 | -60.5 | 134.3 | 0 | 0 | 112.8 | P233 Y237 K238 K239 | P233-E235 PolarHBondContact O-N 3.15Å; E235-Y237 VanDerWaalsContact C-N 3.32Å; E235-Y237 PolarHBondContact O-N 2.83Å; E235-K238 PolarHBondContact O-N 3.09Å; E235-K239 WeakPolarHBondContact O-CG 3.42Å; E235-K239 PolarHBondContact O-N 2.94Å |
| 236 | T | 73.1 | Confident | 68.1 | Low | 85 Ų | 85 | 67.3 Ų | 67.3 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.5 | -41.1 | 0 | 0 | 0 | 0 | 110.9 | N234 M240 | N234-T236 PolarHBondContact O-N 3.24Å; N234-T236 WeakPolarHBondContact OD1-CB 3.41Å; N234-T236 PolarHBondContact OD1-N 2.03Å; N234-T236 PolarHBondContact OD1-OG1 2.78Å; T236-M240 HydrophobicContact CG2-CE 3.63Å; T236-M240 VanDerWaalsContact O-CG 3.26Å; T236-M240 WeakPolarHBondContact O-CG 3.23Å; T236-M240 PolarHBondContact O-N 3.42Å |
| 237 | Y | 68 | Low | 69.3 | Low | 101 Ų | 101 | 73.3 Ų | 73.3 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 177 | -71.5 | -80.1 | 0 | 0 | 0 | 112.8 | N234 E235 M240 V241 | N234-Y237 HydrophobicContact CB-CD2 3.74Å; N234-Y237 HydrophobicContact CB-CE2 4.35Å; N234-Y237 WeakPolarHBondContact O-CB 3.29Å; N234-Y237 PolarHBondContact O-N 3.04Å; N234-Y237 WeakPolarHBondContact OD1-CD2 3.35Å; N234-Y237 PolarHBondContact OD1-N 3.12Å; E235-Y237 VanDerWaalsContact C-N 3.32Å; E235-Y237 PolarHBondContact O-N 2.83Å; Y237-M240 PolarHBondContact O-N 3.5Å; Y237-V241 VanDerWaalsContact O-CG2 3.32Å; Y237-V241 WeakPolarHBondContact O-CG2 3.47Å; Y237-V241 PolarHBondContact O-N 3.43Å |
| 238 | K | 74.5 | Confident | 70.5 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -52 | 176.7 | -176 | -175.4 | 169.8 | -169.3 | 0 | 110 | L224 N234 E235 M240 V241 E242 | L224-K238 HydrophobicContact CD1-CB 4Å; N234-K238 PolarHBondContact O-N 3.14Å; N234-K238 VanDerWaalsContact O-N 3.1Å; E235-K238 PolarHBondContact O-N 3.09Å; K238-M240 VanDerWaalsContact C-N 3.28Å; K238-M240 PolarHBondContact O-N 3.37Å; K238-V241 PolarHBondContact O-N 3.15Å; K238-V241 VanDerWaalsContact O-N 3.15Å; K238-E242 VanDerWaalsContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CB 3.45Å; K238-E242 PolarHBondContact O-N 3.23Å |
| 239 | K | 79.7 | Confident | 72.1 | Confident | 146 Ų | 146 | 72.6 Ų | 72.6 | 64% | 0.635 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.7 | -38.1 | 175.4 | -71.1 | -177.3 | 177.9 | -176.3 | 0 | 112.9 | E235 G243 | E235-K239 WeakPolarHBondContact O-CG 3.42Å; E235-K239 PolarHBondContact O-N 2.94Å; K239-G243 PolarHBondContact O-N 3.45Å |
| 240 | M | 73.9 | Confident | 73.7 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | 175.4 | -74.3 | -178 | -160.1 | 0 | 0 | 112.8 | T236 Y237 K238 F244 | T236-M240 HydrophobicContact CG2-CE 3.63Å; T236-M240 VanDerWaalsContact O-CG 3.26Å; T236-M240 WeakPolarHBondContact O-CG 3.23Å; T236-M240 PolarHBondContact O-N 3.42Å; Y237-M240 PolarHBondContact O-N 3.5Å; K238-M240 VanDerWaalsContact C-N 3.28Å; K238-M240 PolarHBondContact O-N 3.37Å; M240-F244 WeakPolarHBondContact O-CB 3.46Å; M240-F244 PolarHBondContact O-N 2.87Å |
| 241 | V | 75 | Confident | 75.4 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 110 | C4 L8 A220 L223 L224 Y237 K238 G243 F244 I245 | C4-V241 HydrophobicContact CB-CG2 4.07Å; L8-V241 HydrophobicContact CD1-CG1 3.68Å; L8-V241 HydrophobicContact CG-CG1 4.3Å; A220-V241 HydrophobicContact CB-CB 3.92Å; A220-V241 HydrophobicContact CB-CG1 3.58Å; L223-V241 HydrophobicContact CD2-CG1 4.01Å; L224-V241 HydrophobicContact CD1-CG2 4.5Å; L224-V241 HydrophobicContact CD2-CG2 4.02Å; L224-V241 HydrophobicContact CG-CG2 4.39Å; Y237-V241 VanDerWaalsContact O-CG2 3.32Å; Y237-V241 WeakPolarHBondContact O-CG2 3.47Å; Y237-V241 PolarHBondContact O-N 3.43Å; K238-V241 PolarHBondContact O-N 3.15Å; K238-V241 VanDerWaalsContact O-N 3.15Å; V241-G243 PolarHBondContact O-N 3.28Å; V241-F244 WeakPolarHBondContact O-CB 3.42Å; V241-F244 PolarHBondContact O-N 3.08Å; V241-F244 VanDerWaalsContact O-N 3.12Å; V241-I245 PolarHBondContact O-N 3.26Å |
| 242 | E | 81.4 | Confident | 76.8 | Confident | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -49.6 | 175.3 | -175.5 | 179.4 | 163.5 | 0 | 0 | 111.6 | A216 A220 K238 F244 I245 P246 | A216-E242 HydrophobicContact CB-CG 3.96Å; A220-E242 HydrophobicContact CB-CB 4.13Å; K238-E242 VanDerWaalsContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CB 3.45Å; K238-E242 PolarHBondContact O-N 3.23Å; E242-F244 PolarHBondContact O-N 2.82Å; E242-I245 PolarHBondContact O-N 2.78Å; E242-P246 WeakPolarHBondContact O-CD 3.28Å |
| 243 | G | 81.5 | Confident | 78.3 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.2 | -14.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K239 V241 | K239-G243 PolarHBondContact O-N 3.45Å; V241-G243 PolarHBondContact O-N 3.28Å |
| 244 | F | 80 | Confident | 79.5 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -81.7 | -35.4 | 175.4 | 178.8 | -92.9 | 0 | 0 | 0 | 112.2 | L8 M240 V241 E242 K247 F248 F265 | L8-F244 HydrophobicContact CB-CD1 4.24Å; L8-F244 HydrophobicContact CB-CE1 4Å; L8-F244 HydrophobicContact CD1-CD1 3.49Å; L8-F244 VanDerWaalsContact CD1-CD1 3.49Å; L8-F244 HydrophobicContact CD1-CE1 4.1Å; L8-F244 HydrophobicContact CD1-CG 4.46Å; M240-F244 WeakPolarHBondContact O-CB 3.46Å; M240-F244 PolarHBondContact O-N 2.87Å; V241-F244 WeakPolarHBondContact O-CB 3.42Å; V241-F244 PolarHBondContact O-N 3.08Å; V241-F244 VanDerWaalsContact O-N 3.12Å; E242-F244 PolarHBondContact O-N 2.82Å; F244-K247 PolarHBondContact O-N 3.13Å; F244-F248 HydrophobicContact CD1-CB 3.94Å; F244-F248 HydrophobicContact CE1-CB 3.58Å; F244-F248 AromaticContact CE1-CD2 3.84Å; F244-F248 HydrophobicContact CE1-CD2 3.84Å; F244-F248 AromaticContact CE1-CG 3.89Å; F244-F248 HydrophobicContact CE1-CG 3.89Å; F244-F248 HydrophobicContact CZ-CB 4.01Å; F244-F248 AromaticContact CZ-CD2 3.91Å; F244-F248 HydrophobicContact CZ-CD2 3.91Å; F244-F248 HydrophobicContact CZ-CG 4.33Å; F244-F248 WeakPolarHBondContact O-CB 3.39Å; F244-F248 PolarHBondContact O-N 3.12Å; F244-F265 HydrophobicContact CE2-CE2 4.29Å |
| 245 | I | 81.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.6 | -55.2 | -178.2 | -70.7 | 168.2 | 0 | 0 | 0 | 112.8 | L8 L212 A216 V241 E242 K247 F248 C249 | L8-I245 HydrophobicContact CD1-CG1 3.77Å; L212-I245 HydrophobicContact CB-CG2 3.81Å; A216-I245 HydrophobicContact CB-CB 4.18Å; A216-I245 HydrophobicContact CB-CD1 3.85Å; A216-I245 HydrophobicContact CB-CG2 4.18Å; A216-I245 WeakPolarHBondContact O-CD1 3.32Å; V241-I245 PolarHBondContact O-N 3.26Å; E242-I245 PolarHBondContact O-N 2.78Å; I245-K247 VanDerWaalsContact C-N 3.31Å; I245-K247 PolarHBondContact O-N 3.06Å; I245-F248 PolarHBondContact O-N 3.29Å; I245-C249 WeakPolarHBondContact O-CB 3.49Å; I245-C249 PolarHBondContact O-N 3.33Å |
| 246 | P | 85.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | -179.3 | 24.8 | -33.6 | 0 | 0 | 0 | 112.5 | E242 C249 K250 | E242-P246 WeakPolarHBondContact O-CD 3.28Å; P246-C249 PolarHBondContact O-N 3.06Å; P246-K250 WeakPolarHBondContact O-CB 3.48Å; P246-K250 PolarHBondContact O-N 3.28Å |
| 247 | K | 83.6 | Confident | 80.4 | Confident | 142 Ų | 142 | 61.1 Ų | 61.1 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | 176.4 | -65.8 | -179.8 | -177 | 178.7 | 0 | 111.7 | F244 I245 R251 | F244-K247 PolarHBondContact O-N 3.13Å; I245-K247 VanDerWaalsContact C-N 3.31Å; I245-K247 PolarHBondContact O-N 3.06Å; K247-R251 WeakPolarHBondContact O-CG 3.44Å; K247-R251 PolarHBondContact O-N 2.97Å |
| 248 | F | 79.7 | Confident | 80.5 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -46 | 175 | 177.1 | -93.2 | 0 | 0 | 0 | 110.8 | T9 L12 F244 I245 R251 M252 | T9-F248 HydrophobicContact CG2-CD2 4.23Å; T9-F248 HydrophobicContact CG2-CE2 3.6Å; T9-F248 HydrophobicContact CG2-CZ 4.45Å; L12-F248 HydrophobicContact CB-CE1 4.04Å; L12-F248 HydrophobicContact CB-CZ 3.83Å; L12-F248 HydrophobicContact CD1-CD1 3.47Å; L12-F248 VanDerWaalsContact CD1-CD1 3.47Å; L12-F248 HydrophobicContact CD1-CE1 3.04Å; L12-F248 HydrophobicContact CD1-CE2 4.32Å; L12-F248 HydrophobicContact CD1-CG 4.27Å; L12-F248 HydrophobicContact CD1-CZ 3.52Å; L12-F248 HydrophobicContact CD2-CE1 4.01Å; L12-F248 HydrophobicContact CG-CE1 3.83Å; L12-F248 HydrophobicContact CG-CZ 4.13Å; F244-F248 HydrophobicContact CD1-CB 3.94Å; F244-F248 HydrophobicContact CE1-CB 3.58Å; F244-F248 AromaticContact CE1-CD2 3.84Å; F244-F248 HydrophobicContact CE1-CD2 3.84Å; F244-F248 AromaticContact CE1-CG 3.89Å; F244-F248 HydrophobicContact CE1-CG 3.89Å; F244-F248 HydrophobicContact CZ-CB 4.01Å; F244-F248 AromaticContact CZ-CD2 3.91Å; F244-F248 HydrophobicContact CZ-CD2 3.91Å; F244-F248 HydrophobicContact CZ-CG 4.33Å; F244-F248 WeakPolarHBondContact O-CB 3.39Å; F244-F248 PolarHBondContact O-N 3.12Å; I245-F248 PolarHBondContact O-N 3.29Å; F248-R251 PolarHBondContact O-N 3.33Å; F248-M252 HydrophobicContact CD1-CG 3.94Å; F248-M252 HydrophobicContact CD2-CG 4.37Å; F248-M252 HydrophobicContact CE1-CB 4.46Å; F248-M252 HydrophobicContact CE1-CG 3.34Å; F248-M252 HydrophobicContact CE1-SD 4.3Å; F248-M252 HydrophobicContact CE2-CG 3.86Å; F248-M252 HydrophobicContact CE2-SD 4.04Å; F248-M252 HydrophobicContact CG-CG 4.42Å; F248-M252 HydrophobicContact CZ-CG 3.31Å; F248-M252 HydrophobicContact CZ-SD 3.67Å; F248-M252 WeakPolarHBondContact O-CG 3.49Å; F248-M252 PolarHBondContact O-N 3.16Å |
| 249 | C | 85.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 179 | -85.5 | 0 | 0 | 0 | 0 | 113.2 | C209 E213 I245 P246 R251 M252 R253 | C209-C249 WeakPolarHBondContact CA-SG 3.36Å; C209-C249 HydrophobicContact CB-CB 3.59Å; C209-C249 WeakPolarHBondContact CB-SG 3.49Å; C209-C249 WeakPolarHBondContact SG-CA 3.21Å; C209-C249 WeakPolarHBondContact SG-CB 3.45Å; C209-C249 CovalentContact SG-SG 2.04Å; C209-C249 PolarHBondContact SG-SG 3.37Å; E213-C249 HydrophobicContact CG-CB 3.9Å; E213-C249 WeakPolarHBondContact OE1-CB 3.43Å; I245-C249 WeakPolarHBondContact O-CB 3.49Å; I245-C249 PolarHBondContact O-N 3.33Å; P246-C249 PolarHBondContact O-N 3.06Å; C249-R251 VanDerWaalsContact C-N 3.33Å; C249-R251 PolarHBondContact O-N 3.25Å; C249-M252 PolarHBondContact O-N 2.95Å; C249-R253 WeakPolarHBondContact O-CG 3.3Å; C249-R253 PolarHBondContact O-N 3.06Å |
| 250 | K | 87.7 | Confident | 80.3 | Confident | 128 Ų | 128 | 52.1 Ų | 52.1 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -53.9 | -49.8 | 171.4 | -178.6 | 175 | 175.7 | 175.5 | 0 | 111.7 | P246 R253 E254 | P246-K250 WeakPolarHBondContact O-CB 3.48Å; P246-K250 PolarHBondContact O-N 3.28Å; K250-R253 PolarHBondContact O-N 2.96Å; K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 WeakPolarHBondContact CG-OE1 3.09Å; K250-E254 WeakPolarHBondContact O-CG 3.28Å; K250-E254 PolarHBondContact O-N 2.74Å |
| 251 | R | 83.4 | Confident | 80.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 25% | 0.249 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 179.9 | -71.5 | -176.9 | -167.5 | 179.7 | 5.3 | 113.2 | K247 F248 C249 R253 E254 N255 N261 R268 | K247-R251 WeakPolarHBondContact O-CG 3.44Å; K247-R251 PolarHBondContact O-N 2.97Å; F248-R251 PolarHBondContact O-N 3.33Å; C249-R251 VanDerWaalsContact C-N 3.33Å; C249-R251 PolarHBondContact O-N 3.25Å; R251-R253 VanDerWaalsContact C-N 3.31Å; R251-R253 PolarHBondContact O-N 2.82Å; R251-E254 PolarHBondContact O-N 3.43Å; R251-N255 PolarHBondContact O-N 3.07Å; R251-N261 WeakPolarHBondContact CB-OD1 3.19Å; R251-R268 VanDerWaalsContact NH2-NH1 3.14Å |
| 252 | M | 82.8 | Confident | 79.8 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | 178 | -70.4 | -60.8 | -63.9 | 0 | 0 | 112.2 | V205 F248 C249 N255 P256 I258 N261 | V205-M252 HydrophobicContact CG1-CB 3.59Å; V205-M252 HydrophobicContact CG2-CB 4.18Å; V205-M252 HydrophobicContact CG2-CE 3.86Å; F248-M252 HydrophobicContact CD1-CG 3.94Å; F248-M252 HydrophobicContact CD2-CG 4.37Å; F248-M252 HydrophobicContact CE1-CB 4.46Å; F248-M252 HydrophobicContact CE1-CG 3.34Å; F248-M252 HydrophobicContact CE1-SD 4.3Å; F248-M252 HydrophobicContact CE2-CG 3.86Å; F248-M252 HydrophobicContact CE2-SD 4.04Å; F248-M252 HydrophobicContact CG-CG 4.42Å; F248-M252 HydrophobicContact CZ-CG 3.31Å; F248-M252 HydrophobicContact CZ-SD 3.67Å; F248-M252 WeakPolarHBondContact O-CG 3.49Å; F248-M252 PolarHBondContact O-N 3.16Å; C249-M252 PolarHBondContact O-N 2.95Å; M252-N255 WeakPolarHBondContact CA-O 3.43Å; M252-N255 CarbonylContact O-C 3.13Å; M252-P256 WeakPolarHBondContact O-CA 3.21Å; M252-I258 HydrophobicContact CE-CB 4.37Å; M252-N261 HydrophobicContact SD-CB 4.21Å; M252-N261 PolarHBondContact SD-ND2 2.94Å |
| 253 | R | 86.1 | Confident | 79.2 | Confident | 97 Ų | 97 | 47.3 Ų | 47.3 | 37% | 0.366 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 173.9 | -73.3 | -179 | -177.8 | 128.9 | -1.7 | 112.1 | V205 C209 E213 C249 K250 R251 | V205-R253 HydrophobicContact CG1-CG 4.02Å; C209-R253 VanDerWaalsContact CB-NH2 3.35Å; E213-R253 IonicContact OE1-CZ 3.78Å; E213-R253 IonicContact OE1-NH1 2.85Å; E213-R253 PolarHBondContact OE1-NH1 3.08Å; E213-R253 IonicContact OE1-NH2 3.94Å; E213-R253 IonicContact OE2-CZ 3.21Å; E213-R253 IonicContact OE2-NH1 2.82Å; E213-R253 PolarHBondContact OE2-NH1 2.94Å; E213-R253 IonicContact OE2-NH2 2.7Å; E213-R253 PolarHBondContact OE2-NH2 2.81Å; C249-R253 WeakPolarHBondContact O-CG 3.3Å; C249-R253 PolarHBondContact O-N 3.06Å; K250-R253 PolarHBondContact O-N 2.96Å; R251-R253 VanDerWaalsContact C-N 3.31Å; R251-R253 PolarHBondContact O-N 2.82Å |
| 254 | E | 86.2 | Confident | 78.6 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.4 | -42.5 | 175.5 | -72.2 | 168.4 | -179.3 | 0 | 0 | 111.2 | K250 R251 | K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 WeakPolarHBondContact CG-OE1 3.09Å; K250-E254 WeakPolarHBondContact O-CG 3.28Å; K250-E254 PolarHBondContact O-N 2.74Å; R251-E254 PolarHBondContact O-N 3.43Å |
| 255 | N | 80.7 | Confident | 77.7 | Confident | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | trans | -141.1 | 105.9 | 177 | -177.9 | 3.5 | 0 | 0 | 0 | 110.5 | R251 M252 D257 Q260 N261 | R251-N255 PolarHBondContact O-N 3.07Å; M252-N255 WeakPolarHBondContact CA-O 3.43Å; M252-N255 CarbonylContact O-C 3.13Å; N255-D257 PolarHBondContact O-N 3.44Å; N255-D257 VanDerWaalsContact OD1-CB 3.31Å; N255-D257 WeakPolarHBondContact OD1-CB 3.36Å; N255-D257 PolarHBondContact OD1-N 3.19Å; N255-Q260 PolarHBondContact ND2-OE1 2.96Å; N255-N261 PolarHBondContact O-ND2 3.32Å | ||
| 256 | P | 75.2 | Confident | 76.7 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | trans | -76.6 | 0.5 | -179.3 | 32.8 | -37.6 | 0 | 0 | 0 | 113.1 | K201 K202 V205 M252 I258 | K201-P256 HydrophobicContact CB-CB 4.24Å; K202-P256 HydrophobicContact CG-CB 4.37Å; K202-P256 HydrophobicContact CG-CG 3.86Å; V205-P256 HydrophobicContact CG2-CB 4.21Å; M252-P256 WeakPolarHBondContact O-CA 3.21Å; P256-I258 PolarHBondContact O-N 2.66Å | ||
| 257 | D | 77.2 | Confident | 75.5 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | trans | -74.8 | 108.1 | 173.2 | -164 | -22.2 | 0 | 0 | 0 | 110.9 | K182 N255 C259 Q260 N261 | K182-D257 IonicContact NZ-OD1 3.59Å; K182-D257 IonicContact NZ-OD2 2.79Å; K182-D257 PolarHBondContact NZ-OD2 3.41Å; N255-D257 PolarHBondContact O-N 3.44Å; N255-D257 VanDerWaalsContact OD1-CB 3.31Å; N255-D257 WeakPolarHBondContact OD1-CB 3.36Å; N255-D257 PolarHBondContact OD1-N 3.19Å; D257-C259 PolarHBondContact O-N 3.46Å; D257-C259 VanDerWaalsContact OD1-CB 3.26Å; D257-C259 WeakPolarHBondContact OD1-CB 3.02Å; D257-C259 PolarHBondContact OD1-N 3.12Å; D257-Q260 HydrophobicContact CB-CB 4.39Å; D257-Q260 HydrophobicContact CB-CG 4.29Å; D257-Q260 PolarHBondContact O-N 2.89Å; D257-N261 PolarHBondContact O-N 3.39Å; D257-N261 PolarHBondContact O-ND2 3.41Å | ||
| 258 | I | 69.6 | Low | 73.9 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -29 | 178.6 | -163.5 | 159.3 | 0 | 0 | 0 | 113 | L13 F17 M252 P256 N261 L262 | L13-I258 HydrophobicContact CB-CD1 4.31Å; L13-I258 HydrophobicContact CD2-CD1 3.43Å; L13-I258 VanDerWaalsContact CD2-CD1 3.43Å; L13-I258 HydrophobicContact CD2-CG1 3.84Å; L13-I258 HydrophobicContact CD2-CG2 4.26Å; L13-I258 HydrophobicContact CG-CD1 3.96Å; F17-I258 HydrophobicContact CE1-CG2 4.3Å; F17-I258 HydrophobicContact CZ-CG2 4.4Å; M252-I258 HydrophobicContact CE-CB 4.37Å; P256-I258 PolarHBondContact O-N 2.66Å; I258-N261 PolarHBondContact O-N 3.02Å; I258-L262 HydrophobicContact CG1-CD1 4.09Å; I258-L262 HydrophobicContact CG1-CG 4.18Å; I258-L262 VanDerWaalsContact O-CB 3.25Å; I258-L262 WeakPolarHBondContact O-CB 3.34Å; I258-L262 WeakPolarHBondContact O-CG 3.08Å; I258-L262 PolarHBondContact O-N 2.95Å |
| 259 | C | 76.9 | Confident | 72.3 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -50.4 | 179.6 | -79.8 | 0 | 0 | 0 | 0 | 111.1 | C179 D257 N261 L262 E263 | C179-C259 WeakPolarHBondContact CA-SG 3.13Å; C179-C259 HydrophobicContact CB-CB 3.59Å; C179-C259 WeakPolarHBondContact CB-SG 3.38Å; C179-C259 WeakPolarHBondContact SG-CA 3.4Å; C179-C259 WeakPolarHBondContact SG-CB 3.39Å; C179-C259 CovalentContact SG-SG 2.03Å; C179-C259 PolarHBondContact SG-SG 2.82Å; D257-C259 PolarHBondContact O-N 3.46Å; D257-C259 VanDerWaalsContact OD1-CB 3.26Å; D257-C259 WeakPolarHBondContact OD1-CB 3.02Å; D257-C259 PolarHBondContact OD1-N 3.12Å; C259-N261 VanDerWaalsContact C-N 3.3Å; C259-N261 PolarHBondContact O-N 2.99Å; C259-L262 PolarHBondContact O-N 3.31Å; C259-E263 WeakPolarHBondContact O-CB 3.36Å; C259-E263 VanDerWaalsContact O-CG 3.29Å; C259-E263 WeakPolarHBondContact O-CG 3.37Å; C259-E263 PolarHBondContact O-N 3.12Å |
| 260 | Q | 74 | Confident | 69.8 | Low | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177 | -65 | -173.5 | -7.9 | 0 | 0 | 111.3 | N255 D257 Q264 | N255-Q260 PolarHBondContact ND2-OE1 2.96Å; D257-Q260 HydrophobicContact CB-CB 4.39Å; D257-Q260 HydrophobicContact CB-CG 4.29Å; D257-Q260 PolarHBondContact O-N 2.89Å; Q260-Q264 WeakPolarHBondContact O-CB 3.26Å; Q260-Q264 WeakPolarHBondContact O-CG 3.41Å; Q260-Q264 PolarHBondContact O-N 3.34Å |
| 261 | N | 70.3 | Confident | 66.9 | Low | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 176.6 | -79.8 | -68.5 | 0 | 0 | 0 | 113.4 | R251 M252 N255 D257 I258 C259 F265 | R251-N261 WeakPolarHBondContact CB-OD1 3.19Å; M252-N261 HydrophobicContact SD-CB 4.21Å; M252-N261 PolarHBondContact SD-ND2 2.94Å; N255-N261 PolarHBondContact O-ND2 3.32Å; D257-N261 PolarHBondContact O-N 3.39Å; D257-N261 PolarHBondContact O-ND2 3.41Å; I258-N261 PolarHBondContact O-N 3.02Å; C259-N261 VanDerWaalsContact C-N 3.3Å; C259-N261 PolarHBondContact O-N 2.99Å; N261-F265 PolarHBondContact O-N 2.98Å; N261-F265 VanDerWaalsContact O-N 3.1Å |
| 262 | L | 67.1 | Low | 64.3 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.4 | -47.4 | 178 | -86.2 | 178.1 | 0 | 0 | 0 | 112.4 | T9 L13 I175 I258 C259 Q264 F265 F266 | T9-L262 HydrophobicContact CG2-CD2 3.46Å; T9-L262 VanDerWaalsContact CG2-CD2 3.46Å; T9-L262 HydrophobicContact CG2-CG 4.16Å; L13-L262 HydrophobicContact CD1-CD1 4.08Å; L13-L262 HydrophobicContact CD2-CD1 3.29Å; L13-L262 HydrophobicContact CG-CD1 3.96Å; I175-L262 HydrophobicContact CD1-CD1 4.21Å; I175-L262 HydrophobicContact CD1-CD2 4.28Å; I175-L262 HydrophobicContact CG1-CD1 4.33Å; I175-L262 HydrophobicContact CG2-CB 3.89Å; I175-L262 HydrophobicContact CG2-CD1 3.95Å; I258-L262 HydrophobicContact CG1-CD1 4.09Å; I258-L262 HydrophobicContact CG1-CG 4.18Å; I258-L262 VanDerWaalsContact O-CB 3.25Å; I258-L262 WeakPolarHBondContact O-CB 3.34Å; I258-L262 WeakPolarHBondContact O-CG 3.08Å; I258-L262 PolarHBondContact O-N 2.95Å; C259-L262 PolarHBondContact O-N 3.31Å; L262-Q264 VanDerWaalsContact C-N 3.27Å; L262-Q264 PolarHBondContact O-N 3.18Å; L262-F265 WeakPolarHBondContact O-CA 3.41Å; L262-F265 VanDerWaalsContact O-CB 3.3Å; L262-F265 WeakPolarHBondContact O-CB 3.12Å; L262-F265 PolarHBondContact O-N 2.88Å; L262-F266 HydrophobicContact CD2-CE2 4.29Å; L262-F266 VanDerWaalsContact O-CD2 3.25Å; L262-F266 WeakPolarHBondContact O-CD2 3.15Å; L262-F266 PolarHBondContact O-N 3.31Å |
| 263 | E | 69.1 | Low | 61.6 | Low | 78 Ų | 78 | 74.7 Ų | 74.7 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 177.7 | -72.8 | 178.6 | 155.9 | 0 | 0 | 110.6 | C259 F265 F266 A267 | C259-E263 WeakPolarHBondContact O-CB 3.36Å; C259-E263 VanDerWaalsContact O-CG 3.29Å; C259-E263 WeakPolarHBondContact O-CG 3.37Å; C259-E263 PolarHBondContact O-N 3.12Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 2.04Å; E263-F266 CarbonylContact O-C 3.59Å; E263-F266 PolarHBondContact O-N 3.34Å; E263-A267 VanDerWaalsContact O-CB 3.28Å; E263-A267 WeakPolarHBondContact O-CB 3.24Å; E263-A267 PolarHBondContact O-N 2.79Å |
| 264 | Q | 68.3 | Low | 58.6 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 172.2 | -74.8 | -176.5 | 21 | 0 | 0 | 113 | Q260 L262 F266 A267 R268 | Q260-Q264 WeakPolarHBondContact O-CB 3.26Å; Q260-Q264 WeakPolarHBondContact O-CG 3.41Å; Q260-Q264 PolarHBondContact O-N 3.34Å; L262-Q264 VanDerWaalsContact C-N 3.27Å; L262-Q264 PolarHBondContact O-N 3.18Å; Q264-F266 VanDerWaalsContact C-N 3.33Å; Q264-A267 PolarHBondContact O-N 2.89Å; Q264-R268 WeakPolarHBondContact O-CG 3.31Å; Q264-R268 PolarHBondContact O-N 2.77Å |
| 265 | F | 62.1 | Low | 55.7 | Low | 25 Ų | 25 | 83.4 Ų | 83.4 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.3 | 179.6 | -94.2 | 0 | 0 | 0 | 111.5 | F244 N261 L262 E263 H269 | F244-F265 HydrophobicContact CE2-CE2 4.29Å; N261-F265 PolarHBondContact O-N 2.98Å; N261-F265 VanDerWaalsContact O-N 3.1Å; L262-F265 WeakPolarHBondContact O-CA 3.41Å; L262-F265 VanDerWaalsContact O-CB 3.3Å; L262-F265 WeakPolarHBondContact O-CB 3.12Å; L262-F265 PolarHBondContact O-N 2.88Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 2.04Å; F265-H269 PolarHBondContact O-CD2 3.11Å; F265-H269 VanDerWaalsContact O-CD2 3.32Å |
| 266 | F | 60 | Low | 54.5 | Low | 24 Ų | 24 | 85.5 Ų | 85.5 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.1 | -26.9 | 175.8 | -74.2 | -78.7 | 0 | 0 | 0 | 113.7 | V2 C6 M171 K172 I175 L262 E263 Q264 | V2-F266 HydrophobicContact CG1-CE1 4.44Å; C6-F266 VanDerWaalsContact SG-CZ 3.58Å; M171-F266 HydrophobicContact CE-CZ 4.41Å; M171-F266 HydrophobicContact CG-CZ 4.18Å; M171-F266 HydrophobicContact SD-CZ 4.16Å; K172-F266 HydrophobicContact CB-CD1 4.43Å; K172-F266 HydrophobicContact CD-CB 4.38Å; K172-F266 HydrophobicContact CG-CB 4.3Å; K172-F266 HydrophobicContact CG-CG 4.45Å; I175-F266 HydrophobicContact CD1-CD2 3.93Å; I175-F266 HydrophobicContact CD1-CE2 3.16Å; I175-F266 HydrophobicContact CD1-CZ 3.74Å; L262-F266 HydrophobicContact CD2-CE2 4.29Å; L262-F266 VanDerWaalsContact O-CD2 3.25Å; L262-F266 WeakPolarHBondContact O-CD2 3.15Å; L262-F266 PolarHBondContact O-N 3.31Å; E263-F266 CarbonylContact O-C 3.59Å; E263-F266 PolarHBondContact O-N 3.34Å; Q264-F266 VanDerWaalsContact C-N 3.33Å |
| 267 | A | 59.6 | Low | 53.4 | Low | 52 Ų | 52 | 89.1 Ų | 89.1 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.9 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E263 Q264 H269 H270 | E263-A267 VanDerWaalsContact O-CB 3.28Å; E263-A267 WeakPolarHBondContact O-CB 3.24Å; E263-A267 PolarHBondContact O-N 2.79Å; Q264-A267 PolarHBondContact O-N 2.89Å; A267-H269 PolarHBondContact O-N 2.63Å; A267-H270 PolarHBondContact O-N 2.87Å |
| 268 | R | 51.4 | Low | 52.1 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 49% | 0.494 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -61.8 | -18.4 | -179.3 | -72 | -176.8 | -150.2 | -153.9 | 4 | 114 | R251 Q264 H270 | R251-R268 VanDerWaalsContact NH2-NH1 3.14Å; Q264-R268 WeakPolarHBondContact O-CG 3.31Å; Q264-R268 PolarHBondContact O-N 2.77Å; R268-H270 VanDerWaalsContact C-N 3.29Å; R268-H270 PolarHBondContact O-N 3.07Å |
| 269 | H | 44.8 | Very low | 51 | Low | 100 Ų | 100 | 97.9 Ų | 97.9 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -82 | 0.4 | 176.8 | -77 | -57 | 0 | 0 | 0 | 114.7 | F265 A267 | F265-H269 PolarHBondContact O-CD2 3.11Å; F265-H269 VanDerWaalsContact O-CD2 3.32Å; A267-H269 PolarHBondContact O-N 2.63Å |
| 270 | H | 32.6 | Very low | 49.4 | Very low | 139 Ų | 139 | 103.8 Ų | 103.8 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -86.6 | -9.6 | 168.5 | -88.9 | -80.6 | 0 | 0 | 0 | 114.3 | A267 R268 | A267-H270 PolarHBondContact O-N 2.87Å; R268-H270 VanDerWaalsContact C-N 3.29Å; R268-H270 PolarHBondContact O-N 3.07Å |
| 271 | H | 28.6 | Very low | 47.8 | Very low | 164 Ų | 164 | 104.4 Ų | 104.4 | 76% | 0.759 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -96.2 | 13.9 | -177.4 | -78.7 | -58.2 | 0 | 0 | 0 | 115.8 | ||
| 272 | H | 28.6 | Very low | 46.2 | Very low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.787 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -121.9 | 55.9 | 167.7 | -77.8 | -58.6 | 0 | 0 | 0 | 111.2 | ||
| 273 | H | 25.8 | Very low | 44.6 | Very low | 171 Ų | 171 | 119.5 Ų | 119.5 | 79% | 0.792 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -149.4 | 57.7 | 160.3 | -98.4 | -62.2 | 0 | 0 | 0 | 108.4 | ||
| 274 | H | 23 | Very low | 42.5 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 81% | 0.806 | 59% | 0.589 | S | S | * | * | trans | -147.7 | 131.8 | 154.5 | -86.9 | -72.8 | 0 | 0 | 0 | 105.7 | ||||
| 275 | D | 25.6 | Very low | 40.2 | Very low | 239 Ų | 239 | 126.3 Ų | 126.3 | 100% | 1.278 | 61% | 0.606 | S | S | * | * | trans | 84.9 | 0 | -173.8 | -45.2 | -27 | 0 | 0 | 0 | 116.2 |
Retrieved 275 of 275 residues in 53.1 ms
(Link to these results)