| 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 | 34.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 74.4 Ų | 74.4 | 96% | 0.961 | 45% | 0.449 | S | S | * | . | 0 | 114.5 | 0 | -71.2 | 178.8 | 175.6 | 0 | 0 | 106.7 | A3 T78 | M1-A3 PolarHBondContact O-N 3.29Å; M1-T78 HydrophobicContact SD-CG2 4.25Å | |||
| 2 | A | 37.4 | Very low | 43.4 | Very low | 67 Ų | 67 | 71.2 Ų | 71.2 | 55% | 0.554 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 120.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S4 | A2-S4 PolarHBondContact O-N 3.4Å; A2-S4 VanDerWaalsContact O-N 3.1Å |
| 3 | A | 42.3 | Very low | 43.4 | Very low | 44 Ų | 44 | 72.2 Ų | 72.2 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 116.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | M1 V8 | M1-A3 PolarHBondContact O-N 3.29Å; A3-V8 HydrophobicContact CB-CG2 4.49Å |
| 4 | S | 48.7 | Very low | 43.4 | Very low | 61 Ų | 61 | 69.4 Ų | 69.4 | 43% | 0.427 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.2 | 179.4 | 63.1 | 0 | 0 | 0 | 0 | 109.4 | A2 G6 Q7 V8 | A2-S4 PolarHBondContact O-N 3.4Å; A2-S4 VanDerWaalsContact O-N 3.1Å; S4-G6 PolarHBondContact O-N 3.48Å; S4-Q7 PolarHBondContact O-N 3.35Å; S4-Q7 WeakPolarHBondContact OG-CG 3.44Å; S4-Q7 PolarHBondContact OG-OE1 2.95Å; S4-V8 PolarHBondContact O-N 2.97Å |
| 5 | L | 45.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 65.1 Ų | 65.1 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -49.2 | -32.5 | 178.1 | -124.1 | 108.3 | 0 | 0 | 0 | 112.2 | V8 L9 | L5-V8 PolarHBondContact O-N 3.48Å; L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | G | 38.8 | Very low | 43.5 | Very low | 48 Ų | 48 | 61.6 Ų | 61.6 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S4 A10 | S4-G6 PolarHBondContact O-N 3.48Å; G6-A10 WeakPolarHBondContact O-CB 3.12Å; G6-A10 PolarHBondContact O-N 3.12Å |
| 7 | Q | 46.7 | Very low | 43.5 | Very low | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70 | -35.9 | 177.4 | -76.2 | 170.1 | -70.9 | 0 | 0 | 111.8 | S4 A10 L11 | S4-Q7 PolarHBondContact O-N 3.35Å; S4-Q7 WeakPolarHBondContact OG-CG 3.44Å; S4-Q7 PolarHBondContact OG-OE1 2.95Å; Q7-A10 PolarHBondContact O-N 3.01Å; Q7-L11 VanDerWaalsContact O-CG 3.3Å; Q7-L11 WeakPolarHBondContact O-CG 3.47Å; Q7-L11 PolarHBondContact O-N 2.89Å |
| 8 | V | 45.9 | Very low | 43.5 | Very low | 26 Ų | 26 | 66.2 Ų | 66.2 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | A3 S4 L5 A10 L11 V12 I122 I126 | A3-V8 HydrophobicContact CB-CG2 4.49Å; S4-V8 PolarHBondContact O-N 2.97Å; L5-V8 PolarHBondContact O-N 3.48Å; V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 PolarHBondContact O-N 2.67Å; V8-L11 PolarHBondContact O-N 3.03Å; V8-V12 HydrophobicContact CG1-CG2 4.46Å; V8-V12 WeakPolarHBondContact O-CB 3.33Å; V8-V12 WeakPolarHBondContact O-CG2 3.47Å; V8-V12 PolarHBondContact O-N 3.12Å; V8-I122 HydrophobicContact CG1-CG2 3.31Å; V8-I126 HydrophobicContact CB-CD1 4.44Å; V8-I126 HydrophobicContact CG1-CD1 4.09Å; V8-I126 HydrophobicContact CG2-CD1 4.19Å; V8-I126 HydrophobicContact CG2-CG1 3.98Å |
| 9 | L | 44.5 | Very low | 43.4 | Very low | 103 Ų | 103 | 62.9 Ų | 62.9 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 173.4 | -108 | 133.7 | 0 | 0 | 0 | 112.1 | L5 L13 | L5-L9 PolarHBondContact O-N 3.24Å; L5-L9 VanDerWaalsContact O-N 3.11Å; L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.31Å |
| 10 | A | 43.8 | Very low | 43.3 | Very low | 16 Ų | 16 | 60.1 Ų | 60.1 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G6 Q7 V8 L13 V14 L70 | G6-A10 WeakPolarHBondContact O-CB 3.12Å; G6-A10 PolarHBondContact O-N 3.12Å; Q7-A10 PolarHBondContact O-N 3.01Å; V8-A10 VanDerWaalsContact C-N 3.27Å; V8-A10 PolarHBondContact O-N 2.67Å; A10-L13 PolarHBondContact O-N 3.14Å; A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.22Å; A10-L70 HydrophobicContact CB-CD1 3.85Å; A10-L70 HydrophobicContact CB-CD2 3.52Å; A10-L70 HydrophobicContact CB-CG 4.33Å |
| 11 | L | 47.4 | Very low | 43.2 | Very low | 60 Ų | 60 | 59.6 Ų | 59.6 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 177.1 | -70.8 | 165 | 0 | 0 | 0 | 112 | Q7 V8 L13 V14 A15 C87 | Q7-L11 VanDerWaalsContact O-CG 3.3Å; Q7-L11 WeakPolarHBondContact O-CG 3.47Å; Q7-L11 PolarHBondContact O-N 2.89Å; V8-L11 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3Å; L11-V14 PolarHBondContact O-N 2.87Å; L11-A15 WeakPolarHBondContact O-CB 3.2Å; L11-A15 PolarHBondContact O-N 3.16Å; L11-C87 WeakPolarHBondContact CD2-SG 3.42Å |
| 12 | V | 45.2 | Very low | 43.7 | Very low | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.218 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.8 | 169 | 0 | 0 | 0 | 0 | 111 | V8 A16 L90 F94 I122 | V8-V12 HydrophobicContact CG1-CG2 4.46Å; V8-V12 WeakPolarHBondContact O-CB 3.33Å; V8-V12 WeakPolarHBondContact O-CG2 3.47Å; V8-V12 PolarHBondContact O-N 3.12Å; V12-A16 PolarHBondContact O-N 3.49Å; V12-L90 HydrophobicContact CG2-CD2 3.64Å; V12-F94 HydrophobicContact CG1-CD2 3.7Å; V12-F94 HydrophobicContact CG1-CE2 3.27Å; V12-F94 HydrophobicContact CG1-CZ 4.34Å; V12-F94 WeakPolarHBondContact O-CD2 3.32Å; V12-F94 WeakPolarHBondContact O-CE2 3.36Å; V12-I122 HydrophobicContact CG2-CD1 4.06Å |
| 13 | L | 43.3 | Very low | 43.9 | Very low | 84 Ų | 84 | 55.8 Ų | 55.8 | 44% | 0.44 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | 174.7 | -82.6 | 160.7 | 0 | 0 | 0 | 113.6 | L9 A10 L11 A16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.31Å; A10-L13 PolarHBondContact O-N 3.14Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3Å; L13-A16 VanDerWaalsContact O-CB 3.22Å; L13-A16 WeakPolarHBondContact O-CB 3.3Å; L13-A16 PolarHBondContact O-N 2.97Å; L13-L17 WeakPolarHBondContact O-CD1 3.23Å |
| 14 | V | 43.7 | Very low | 44.1 | Very low | 34 Ų | 34 | 55.3 Ų | 55.3 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 177.9 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | A10 L11 A16 L17 W18 L70 | A10-V14 WeakPolarHBondContact O-CG2 3.36Å; A10-V14 PolarHBondContact O-N 3.22Å; L11-V14 PolarHBondContact O-N 2.87Å; V14-A16 PolarHBondContact O-N 3.35Å; V14-L17 PolarHBondContact O-N 2.84Å; V14-W18 PolarHBondContact O-N 3.48Å; V14-L70 HydrophobicContact CG2-CD1 4.37Å |
| 15 | A | 44.9 | Very low | 44.1 | Very low | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.5 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L11 L17 G19 L90 A91 F94 | L11-A15 WeakPolarHBondContact O-CB 3.2Å; L11-A15 PolarHBondContact O-N 3.16Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 3.43Å; A15-G19 PolarHBondContact O-N 3.47Å; A15-L90 VanDerWaalsContact CB-C 3.45Å; A15-L90 HydrophobicContact CB-CB 4Å; A15-L90 WeakPolarHBondContact CB-O 3.14Å; A15-A91 HydrophobicContact CB-CB 4.16Å; A15-F94 HydrophobicContact CB-CB 4.02Å |
| 16 | A | 44.1 | Very low | 44.2 | Very low | 9 Ų | 9 | 59.5 Ų | 59.5 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V12 L13 V14 G20 F94 | V12-A16 PolarHBondContact O-N 3.49Å; L13-A16 VanDerWaalsContact O-CB 3.22Å; L13-A16 WeakPolarHBondContact O-CB 3.3Å; L13-A16 PolarHBondContact O-N 2.97Å; V14-A16 PolarHBondContact O-N 3.35Å; A16-G20 PolarHBondContact O-N 3.4Å; A16-G20 VanDerWaalsContact O-N 3.09Å; A16-F94 HydrophobicContact CB-CB 4.22Å; A16-F94 HydrophobicContact CB-CD1 2.94Å; A16-F94 HydrophobicContact CB-CD2 4.14Å; A16-F94 HydrophobicContact CB-CE1 3.04Å; A16-F94 HydrophobicContact CB-CE2 4.26Å; A16-F94 HydrophobicContact CB-CG 3.48Å; A16-F94 VanDerWaalsContact CB-CG 3.48Å; A16-F94 HydrophobicContact CB-CZ 3.72Å |
| 17 | L | 42.6 | Very low | 44.7 | Very low | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.8 | -51.4 | -176.2 | -85 | 28.1 | 0 | 0 | 0 | 111.9 | L13 V14 A15 G19 G20 T21 L63 | L13-L17 WeakPolarHBondContact O-CD1 3.23Å; V14-L17 PolarHBondContact O-N 2.84Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 3.43Å; L17-G19 PolarHBondContact O-N 3.1Å; L17-G20 PolarHBondContact O-N 2.94Å; L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 2.81Å; L17-L63 HydrophobicContact CD1-CB 3.7Å; L17-L63 HydrophobicContact CD1-CD1 3.46Å; L17-L63 VanDerWaalsContact CD1-CD1 3.46Å; L17-L63 HydrophobicContact CD1-CD2 3.47Å; L17-L63 VanDerWaalsContact CD1-CD2 3.47Å; L17-L63 HydrophobicContact CD1-CG 3.58Å; L17-L63 VanDerWaalsContact CD2-CA 3.5Å; L17-L63 HydrophobicContact CD2-CB 3.2Å; L17-L63 HydrophobicContact CD2-CD1 4.44Å; L17-L63 HydrophobicContact CD2-CD2 3.18Å; L17-L63 HydrophobicContact CD2-CG 3.55Å; L17-L63 WeakPolarHBondContact CD2-O 3.44Å; L17-L63 HydrophobicContact CG-CB 3.35Å; L17-L63 HydrophobicContact CG-CD1 4.14Å; L17-L63 HydrophobicContact CG-CD2 3.74Å; L17-L63 HydrophobicContact CG-CG 3.77Å |
| 18 | W | 44.5 | Very low | 44.7 | Very low | 186 Ų | 186 | 60.3 Ų | 60.3 | 71% | 0.705 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -34.1 | -174.1 | -107.2 | 32.3 | 0 | 0 | 0 | 110.3 | V14 | V14-W18 PolarHBondContact O-N 3.48Å |
| 19 | G | 41.6 | Very low | 44.7 | Very low | 5 Ų | 5 | 62.5 Ų | 62.5 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.7 | -52.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A15 L17 T21 P23 T95 | A15-G19 PolarHBondContact O-N 3.47Å; L17-G19 PolarHBondContact O-N 3.1Å; G19-T21 PolarHBondContact O-N 3.22Å; G19-P23 WeakPolarHBondContact O-CD 3.18Å; G19-T95 VanDerWaalsContact C-CG2 3.47Å; G19-T95 VanDerWaalsContact CA-CB 3.45Å; G19-T95 WeakPolarHBondContact CA-OG1 3.29Å; G19-T95 WeakPolarHBondContact O-CG2 2.94Å |
| 20 | G | 40.7 | Very low | 45 | Very low | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.7 | -23.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A16 L17 Q22 P23 L24 | A16-G20 PolarHBondContact O-N 3.4Å; A16-G20 VanDerWaalsContact O-N 3.09Å; L17-G20 PolarHBondContact O-N 2.94Å; G20-Q22 PolarHBondContact O-N 3.12Å; G20-P23 WeakPolarHBondContact O-CD 3.48Å; G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 PolarHBondContact O-N 2.85Å |
| 21 | T | 40.8 | Very low | 45.1 | Very low | 50 Ų | 50 | 62.3 Ų | 62.3 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | -170.1 | -52.8 | 0 | 0 | 0 | 0 | 113.6 | L17 G19 L25 | L17-T21 PolarHBondContact O-N 2.89Å; L17-T21 PolarHBondContact O-OG1 2.81Å; G19-T21 PolarHBondContact O-N 3.22Å; T21-L25 HydrophobicContact CG2-CD1 4.2Å; T21-L25 PolarHBondContact O-N 3.18Å |
| 22 | Q | 44.5 | Very low | 45.1 | Very low | 141 Ų | 141 | 64 Ų | 64 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.8 | -46.2 | -174.1 | -68.8 | -76.7 | 26.8 | 0 | 0 | 114.9 | G20 | G20-Q22 PolarHBondContact O-N 3.12Å |
| 23 | P | 42.5 | Very low | 45.2 | Very low | 41 Ų | 41 | 70.8 Ų | 70.8 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.4 | -31.7 | 175.8 | 24.3 | -31.3 | 0 | 0 | 0 | 113.1 | G19 G20 L25 K26 R27 | G19-P23 WeakPolarHBondContact O-CD 3.18Å; G20-P23 WeakPolarHBondContact O-CD 3.48Å; P23-L25 VanDerWaalsContact C-N 3.33Å; P23-L25 PolarHBondContact O-N 3.15Å; P23-K26 PolarHBondContact O-N 3.36Å; P23-R27 PolarHBondContact O-N 3.37Å; P23-R27 VanDerWaalsContact O-N 3.1Å |
| 24 | L | 46.4 | Very low | 45.3 | Very low | 33 Ų | 33 | 78 Ų | 78 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 176.2 | -121 | 122.7 | 0 | 0 | 0 | 111.9 | G20 K26 R27 A28 Y57 L102 | G20-L24 WeakPolarHBondContact O-CB 3.49Å; G20-L24 PolarHBondContact O-N 2.85Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 3.17Å; L24-R27 PolarHBondContact O-N 3.3Å; L24-A28 VanDerWaalsContact O-CB 3.26Å; L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.5Å; L24-Y57 HydrophobicContact CD2-CE1 4.15Å; L24-L102 HydrophobicContact CD1-CD1 4.18Å; L24-L102 HydrophobicContact CD1-CD2 3.62Å; L24-L102 HydrophobicContact CG-CD2 3.81Å |
| 25 | L | 48.3 | Very low | 45.4 | Very low | 110 Ų | 110 | 80.6 Ų | 80.6 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 175.9 | -114.9 | 79.2 | 0 | 0 | 0 | 112.5 | T21 P23 S29 | T21-L25 HydrophobicContact CG2-CD1 4.2Å; T21-L25 PolarHBondContact O-N 3.18Å; P23-L25 VanDerWaalsContact C-N 3.33Å; P23-L25 PolarHBondContact O-N 3.15Å; L25-S29 WeakPolarHBondContact O-CB 3.27Å; L25-S29 PolarHBondContact O-N 2.99Å; L25-S29 PolarHBondContact O-OG 3.48Å |
| 26 | K | 47.8 | Very low | 45.3 | Very low | 166 Ų | 166 | 89.2 Ų | 89.2 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.5 | -36 | 177.1 | -88.2 | -174.8 | 171.9 | -176.8 | 0 | 112.9 | P23 L24 S29 A30 | P23-K26 PolarHBondContact O-N 3.36Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 3.17Å; K26-S29 PolarHBondContact O-OG 3.24Å; K26-A30 PolarHBondContact O-N 3.46Å |
| 27 | R | 48.9 | Very low | 45.4 | Very low | 111 Ų | 111 | 94.1 Ų | 94.1 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.7 | -38.8 | 174.3 | -92 | -172.3 | 166.7 | -165.6 | -11.5 | 112.4 | P23 L24 A30 G31 L102 E104 | P23-R27 PolarHBondContact O-N 3.37Å; P23-R27 VanDerWaalsContact O-N 3.1Å; L24-R27 PolarHBondContact O-N 3.3Å; R27-A30 PolarHBondContact O-N 2.93Å; R27-G31 PolarHBondContact O-N 3.35Å; R27-G31 VanDerWaalsContact O-N 3.17Å; R27-L102 PolarHBondContact NH1-O 3.38Å; R27-E104 IonicContact CZ-OE1 3.43Å; R27-E104 IonicContact NE-OE1 2.99Å; R27-E104 PolarHBondContact NE-OE1 3.25Å; R27-E104 IonicContact NH2-OE1 3.5Å; R27-E104 PolarHBondContact NH2-OE1 2.91Å |
| 28 | A | 46.2 | Very low | 45.7 | Very low | 25 Ų | 25 | 98.6 Ų | 98.6 | 21% | 0.207 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 A30 G31 L32 Y57 | L24-A28 VanDerWaalsContact O-CB 3.26Å; L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.5Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 3.32Å; A28-G31 PolarHBondContact O-N 3.46Å; A28-G31 VanDerWaalsContact O-N 3.15Å; A28-L32 PolarHBondContact O-N 3.02Å; A28-Y57 HydrophobicContact CB-CE1 4.28Å; A28-Y57 WeakPolarHBondContact CB-OH 3.09Å |
| 29 | S | 46.8 | Very low | 46.2 | Very low | 72 Ų | 72 | 93.4 Ų | 93.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -29.9 | 175.8 | 69.4 | 0 | 0 | 0 | 0 | 113 | L25 K26 | L25-S29 WeakPolarHBondContact O-CB 3.27Å; L25-S29 PolarHBondContact O-N 2.99Å; L25-S29 PolarHBondContact O-OG 3.48Å; K26-S29 PolarHBondContact O-OG 3.24Å |
| 30 | A | 50 | Low | 46.4 | Very low | 67 Ų | 67 | 102.4 Ų | 102.4 | 55% | 0.554 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.2 | -29.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K26 R27 A28 | K26-A30 PolarHBondContact O-N 3.46Å; R27-A30 PolarHBondContact O-N 2.93Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 3.32Å |
| 31 | G | 47.1 | Very low | 46.5 | Very low | 49 Ų | 49 | 104.5 Ų | 104.5 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.2 | -31 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | R27 A28 Q33 R34 | R27-G31 PolarHBondContact O-N 3.35Å; R27-G31 VanDerWaalsContact O-N 3.17Å; A28-G31 PolarHBondContact O-N 3.46Å; A28-G31 VanDerWaalsContact O-N 3.15Å; G31-Q33 PolarHBondContact O-N 3.49Å; G31-R34 PolarHBondContact O-N 3.34Å |
| 32 | L | 47.6 | Very low | 46.7 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -65.8 | -21.6 | 178.5 | -87.9 | 154.6 | 0 | 0 | 0 | 114.1 | A28 R34 E47 | A28-L32 PolarHBondContact O-N 3.02Å; L32-R34 PolarHBondContact O-N 3.26Å; L32-R34 VanDerWaalsContact O-N 3.14Å; L32-E47 VanDerWaalsContact CD2-CD 3.5Å; L32-E47 HydrophobicContact CD2-CG 4.04Å; L32-E47 WeakPolarHBondContact CD2-OE1 3.08Å |
| 33 | Q | 46.7 | Very low | 47.1 | Very low | 179 Ų | 179 | 107.9 Ų | 107.9 | 84% | 0.836 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -75.7 | 2.3 | -177.9 | -149.7 | 177 | -34.1 | 0 | 0 | 113.9 | G31 | G31-Q33 PolarHBondContact O-N 3.49Š|
| 34 | R | 45.4 | Very low | 47.4 | Very low | 235 Ų | 235 | 109.7 Ų | 109.7 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -110.4 | -2.3 | -175.5 | -96.2 | -162.6 | -177 | -166 | 3.1 | 116.6 | G31 L32 | G31-R34 PolarHBondContact O-N 3.34Å; L32-R34 PolarHBondContact O-N 3.26Å; L32-R34 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 46.2 | Very low | 47.3 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | trans | -118.8 | 102.8 | -178.3 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | E37 Q43 | V35-E37 HydrophobicContact CG1-CG 4.16Å; V35-Q43 PolarHBondContact O-NE2 2.57Å; V35-Q43 VanDerWaalsContact O-NE2 3.16Å | ||
| 36 | H | 42.6 | Very low | 47.3 | Very low | 187 Ų | 187 | 115.4 Ų | 115.4 | 87% | 0.866 | 58% | 0.579 | S | S | * | * | trans | -99.1 | 103.4 | 175.8 | -162.1 | 86.4 | 0 | 0 | 0 | 108.4 | ||||
| 37 | E | 46.9 | Very low | 47.3 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 52% | 0.523 | 56% | 0.563 | S | S | . | * | trans | -118.7 | 150.6 | 174.4 | -80.9 | -71.2 | 154 | 0 | 0 | 110 | V35 T39 Q43 | V35-E37 HydrophobicContact CG1-CG 4.16Å; E37-T39 PolarHBondContact O-N 3.15Å; E37-Q43 HydrophobicContact CB-CG 4.42Å; E37-Q43 PolarHBondContact O-OE1 3.41Å | ||
| 38 | P | 48.9 | Very low | 46.9 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -83.9 | 0.6 | -160.7 | 31.9 | -33.5 | 0 | 0 | 0 | 114.9 | ||
| 39 | T | 55.1 | Low | 46.8 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 47% | 0.472 | 58% | 0.583 | S | S | . | * | trans | -143.8 | 118.8 | -176.1 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | E37 A41 R42 Q43 | E37-T39 PolarHBondContact O-N 3.15Å; T39-A41 VanDerWaalsContact C-N 3.27Å; T39-A41 PolarHBondContact O-N 3.01Å; T39-A41 VanDerWaalsContact O-N 3.12Å; T39-R42 PolarHBondContact O-N 3.24Å; T39-R42 VanDerWaalsContact O-N 3.12Å; T39-Q43 PolarHBondContact O-N 3.1Å | ||
| 40 | W | 44.8 | Very low | 46.9 | Very low | 193 Ų | 193 | 116.1 Ų | 116.1 | 73% | 0.731 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -52.8 | -38.8 | -172.2 | 86.1 | -78.9 | 0 | 0 | 0 | 114.1 | Q43 L44 | W40-Q43 PolarHBondContact O-N 3.19Å; W40-L44 HydrophobicContact CE3-CD1 3.53Å; W40-L44 HydrophobicContact CZ3-CD1 3.49Å; W40-L44 VanDerWaalsContact CZ3-CD1 3.49Å; W40-L44 WeakPolarHBondContact O-CB 3.31Å; W40-L44 PolarHBondContact O-N 3.26Å |
| 41 | A | 43.4 | Very low | 46.7 | Very low | 50 Ų | 50 | 117.2 Ų | 117.2 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.9 | -34.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T39 L45 | T39-A41 VanDerWaalsContact C-N 3.27Å; T39-A41 PolarHBondContact O-N 3.01Å; T39-A41 VanDerWaalsContact O-N 3.12Å; A41-L45 WeakPolarHBondContact O-CB 3.26Å; A41-L45 PolarHBondContact O-N 3.36Å |
| 42 | R | 45.4 | Very low | 46.4 | Very low | 200 Ų | 200 | 120.8 Ų | 120.8 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77 | -30.9 | 176.8 | -84.8 | -173.5 | 171.8 | -175 | -1.1 | 112 | T39 L45 Q46 | T39-R42 PolarHBondContact O-N 3.24Å; T39-R42 VanDerWaalsContact O-N 3.12Å; R42-L45 PolarHBondContact O-N 3.13Å; R42-Q46 WeakPolarHBondContact O-CB 3.43Å; R42-Q46 PolarHBondContact O-N 3.4Å |
| 43 | Q | 51.1 | Low | 46 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 29% | 0.29 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.6 | -48.7 | 172.8 | -137.9 | 170.5 | -14.2 | 0 | 0 | 110.5 | V35 E37 T39 W40 L45 Q46 E47 | V35-Q43 PolarHBondContact O-NE2 2.57Å; V35-Q43 VanDerWaalsContact O-NE2 3.16Å; E37-Q43 HydrophobicContact CB-CG 4.42Å; E37-Q43 PolarHBondContact O-OE1 3.41Å; T39-Q43 PolarHBondContact O-N 3.1Å; W40-Q43 PolarHBondContact O-N 3.19Å; Q43-L45 PolarHBondContact O-N 2.77Å; Q43-Q46 PolarHBondContact O-N 3.2Å; Q43-E47 WeakPolarHBondContact O-CB 3.12Å; Q43-E47 WeakPolarHBondContact O-CG 3.49Å; Q43-E47 PolarHBondContact O-N 3.06Å |
| 44 | L | 49.8 | Very low | 45.9 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 42% | 0.419 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -40.6 | 174.4 | -117.1 | 145.3 | 0 | 0 | 0 | 112.5 | W40 M48 | W40-L44 HydrophobicContact CE3-CD1 3.53Å; W40-L44 HydrophobicContact CZ3-CD1 3.49Å; W40-L44 VanDerWaalsContact CZ3-CD1 3.49Å; W40-L44 WeakPolarHBondContact O-CB 3.31Å; W40-L44 PolarHBondContact O-N 3.26Å; L44-M48 HydrophobicContact CD2-CG 4.32Å; L44-M48 VanDerWaalsContact O-CB 3.23Å; L44-M48 WeakPolarHBondContact O-CB 3.39Å; L44-M48 WeakPolarHBondContact O-CG 3.42Å; L44-M48 PolarHBondContact O-N 2.97Å |
| 45 | L | 44.3 | Very low | 45.5 | Very low | 129 Ų | 129 | 111.1 Ų | 111.1 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.5 | -35.4 | -179.6 | -148.1 | 78.2 | 0 | 0 | 0 | 112.3 | A41 R42 Q43 K49 | A41-L45 WeakPolarHBondContact O-CB 3.26Å; A41-L45 PolarHBondContact O-N 3.36Å; R42-L45 PolarHBondContact O-N 3.13Å; Q43-L45 PolarHBondContact O-N 2.77Å; L45-K49 WeakPolarHBondContact O-CB 3.38Å; L45-K49 PolarHBondContact O-N 3.12Å |
| 46 | Q | 49.1 | Very low | 45.2 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.8 | -36.8 | 174.5 | -83 | -153.9 | -20.3 | 0 | 0 | 112.8 | R42 Q43 K49 T50 | R42-Q46 WeakPolarHBondContact O-CB 3.43Å; R42-Q46 PolarHBondContact O-N 3.4Å; Q43-Q46 PolarHBondContact O-N 3.2Å; Q46-K49 PolarHBondContact O-N 3.21Å; Q46-T50 WeakPolarHBondContact O-CB 3.01Å; Q46-T50 PolarHBondContact O-N 3.41Å; Q46-T50 PolarHBondContact O-OG1 3.09Å |
| 47 | E | 47.9 | Very low | 45.2 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -51.7 | 169.5 | -80.4 | 174.5 | -168.2 | 0 | 0 | 110.5 | L32 Q43 K49 T50 L51 | L32-E47 VanDerWaalsContact CD2-CD 3.5Å; L32-E47 HydrophobicContact CD2-CG 4.04Å; L32-E47 WeakPolarHBondContact CD2-OE1 3.08Å; Q43-E47 WeakPolarHBondContact O-CB 3.12Å; Q43-E47 WeakPolarHBondContact O-CG 3.49Å; Q43-E47 PolarHBondContact O-N 3.06Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.26Å; E47-T50 PolarHBondContact O-N 3.29Å; E47-L51 WeakPolarHBondContact O-CB 3.37Å; E47-L51 PolarHBondContact O-N 3.02Å |
| 48 | M | 40.7 | Very low | 44.8 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.5 | -75.4 | -122.1 | 72.5 | 0 | 0 | 112.3 | L44 L51 F52 | L44-M48 HydrophobicContact CD2-CG 4.32Å; L44-M48 VanDerWaalsContact O-CB 3.23Å; L44-M48 WeakPolarHBondContact O-CB 3.39Å; L44-M48 WeakPolarHBondContact O-CG 3.42Å; L44-M48 PolarHBondContact O-N 2.97Å; M48-L51 PolarHBondContact O-N 2.63Å; M48-F52 HydrophobicContact CE-CD2 4Å; M48-F52 HydrophobicContact CE-CE2 3.7Å; M48-F52 WeakPolarHBondContact O-CB 3.42Å; M48-F52 WeakPolarHBondContact O-CD2 3.36Å; M48-F52 PolarHBondContact O-N 3.09Å |
| 49 | K | 42.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 105.1 Ų | 105.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.5 | -39.1 | 178.9 | -169.8 | 175 | 179.9 | -179.8 | 0 | 111.8 | L45 Q46 E47 L53 | L45-K49 WeakPolarHBondContact O-CB 3.38Å; L45-K49 PolarHBondContact O-N 3.12Å; Q46-K49 PolarHBondContact O-N 3.21Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.26Å; K49-L53 HydrophobicContact CD-CD1 4.39Å; K49-L53 HydrophobicContact CG-CD1 3.51Å; K49-L53 VanDerWaalsContact O-CB 3.3Å; K49-L53 WeakPolarHBondContact O-CB 3.09Å; K49-L53 WeakPolarHBondContact O-CD1 3.48Å; K49-L53 PolarHBondContact O-N 3.32Å |
| 50 | T | 48.4 | Very low | 43.5 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.9 | -30.8 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 112 | Q46 E47 N54 | Q46-T50 WeakPolarHBondContact O-CB 3.01Å; Q46-T50 PolarHBondContact O-N 3.41Å; Q46-T50 PolarHBondContact O-OG1 3.09Å; E47-T50 PolarHBondContact O-N 3.29Å; T50-N54 WeakPolarHBondContact CG2-ND2 3.17Å; T50-N54 VanDerWaalsContact O-CB 3.29Å; T50-N54 WeakPolarHBondContact O-CB 3.42Å; T50-N54 PolarHBondContact O-N 3.15Å; T50-N54 PolarHBondContact O-ND2 3.27Å |
| 51 | L | 45.9 | Very low | 43.5 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.2 | -34.5 | 175.9 | -151.8 | 73.4 | 0 | 0 | 0 | 112.2 | E47 M48 Y57 | E47-L51 WeakPolarHBondContact O-CB 3.37Å; E47-L51 PolarHBondContact O-N 3.02Å; M48-L51 PolarHBondContact O-N 2.63Å; L51-Y57 HydrophobicContact CD1-CD1 3.5Å; L51-Y57 HydrophobicContact CD1-CE1 3.9Å; L51-Y57 HydrophobicContact CD1-CG 3.86Å; L51-Y57 HydrophobicContact CG-CD1 4.42Å; L51-Y57 VanDerWaalsContact O-CB 3.31Å; L51-Y57 WeakPolarHBondContact O-CB 3.44Å |
| 52 | F | 41 | Very low | 43.3 | Very low | 125 Ų | 125 | 102.5 Ų | 102.5 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -82.5 | -31 | 176.8 | -97.9 | -89.7 | 0 | 0 | 0 | 114.3 | M48 L58 | M48-F52 HydrophobicContact CE-CD2 4Å; M48-F52 HydrophobicContact CE-CE2 3.7Å; M48-F52 WeakPolarHBondContact O-CB 3.42Å; M48-F52 WeakPolarHBondContact O-CD2 3.36Å; M48-F52 PolarHBondContact O-N 3.09Å; F52-L58 HydrophobicContact CD1-CD1 4.22Å |
| 53 | L | 40 | Very low | 43.4 | Very low | 127 Ų | 127 | 94.6 Ų | 94.6 | 67% | 0.665 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -92.1 | -13.9 | -178.7 | -83.9 | 141.7 | 0 | 0 | 0 | 114.2 | K49 T55 | K49-L53 HydrophobicContact CD-CD1 4.39Å; K49-L53 HydrophobicContact CG-CD1 3.51Å; K49-L53 VanDerWaalsContact O-CB 3.3Å; K49-L53 WeakPolarHBondContact O-CB 3.09Å; K49-L53 WeakPolarHBondContact O-CD1 3.48Å; K49-L53 PolarHBondContact O-N 3.32Å; L53-T55 PolarHBondContact O-N 2.97Å |
| 54 | N | 45.4 | Very low | 43.1 | Very low | 62 Ų | 62 | 95.6 Ų | 95.6 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | trans | -80.8 | 115.2 | 170.5 | -87.2 | -49.8 | 0 | 0 | 0 | 110.4 | T50 E56 Y57 L58 | T50-N54 WeakPolarHBondContact CG2-ND2 3.17Å; T50-N54 VanDerWaalsContact O-CB 3.29Å; T50-N54 WeakPolarHBondContact O-CB 3.42Å; T50-N54 PolarHBondContact O-N 3.15Å; T50-N54 PolarHBondContact O-ND2 3.27Å; N54-E56 PolarHBondContact O-N 3.15Å; N54-E56 VanDerWaalsContact O-N 3.1Å; N54-Y57 HydrophobicContact CB-CD2 3.65Å; N54-Y57 HydrophobicContact CB-CE2 4.45Å; N54-Y57 PolarHBondContact O-N 3.37Å; N54-L58 PolarHBondContact O-N 3.12Å; N54-L58 VanDerWaalsContact O-N 3.12Å | ||
| 55 | T | 35.9 | Very low | 42.8 | Very low | 116 Ų | 116 | 97.3 Ų | 97.3 | 71% | 0.712 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.9 | -23 | 177.5 | -24.9 | 0 | 0 | 0 | 0 | 112.1 | L53 M59 | L53-T55 PolarHBondContact O-N 2.97Å; T55-M59 WeakPolarHBondContact O-CB 3.48Å; T55-M59 PolarHBondContact O-N 2.83Å |
| 56 | E | 41.1 | Very low | 42.7 | Very low | 124 Ų | 124 | 94.1 Ų | 94.1 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.6 | -26.6 | 171.1 | -80.7 | -176.1 | 116 | 0 | 0 | 114.7 | N54 P60 | N54-E56 PolarHBondContact O-N 3.15Å; N54-E56 VanDerWaalsContact O-N 3.1Å; E56-P60 WeakPolarHBondContact O-CD 3.46Å |
| 57 | Y | 40.8 | Very low | 42.6 | Very low | 74 Ų | 74 | 88.5 Ų | 88.5 | 29% | 0.29 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -103.3 | -28.2 | -177.6 | -74.5 | -86.6 | 0 | 0 | 0 | 113.1 | L24 A28 L51 N54 M59 P60 | L24-Y57 HydrophobicContact CD2-CE1 4.15Å; A28-Y57 HydrophobicContact CB-CE1 4.28Å; A28-Y57 WeakPolarHBondContact CB-OH 3.09Å; L51-Y57 HydrophobicContact CD1-CD1 3.5Å; L51-Y57 HydrophobicContact CD1-CE1 3.9Å; L51-Y57 HydrophobicContact CD1-CG 3.86Å; L51-Y57 HydrophobicContact CG-CD1 4.42Å; L51-Y57 VanDerWaalsContact O-CB 3.31Å; L51-Y57 WeakPolarHBondContact O-CB 3.44Å; N54-Y57 HydrophobicContact CB-CD2 3.65Å; N54-Y57 HydrophobicContact CB-CE2 4.45Å; N54-Y57 PolarHBondContact O-N 3.37Å; Y57-M59 VanDerWaalsContact C-N 3.28Å; Y57-P60 VanDerWaalsContact O-CD 3.24Å; Y57-P60 WeakPolarHBondContact O-CD 3.47Å; Y57-P60 VanDerWaalsContact O-CG 3.27Å; Y57-P60 WeakPolarHBondContact O-CG 3.06Å |
| 58 | L | 39.3 | Very low | 42.5 | Very low | 63 Ų | 63 | 87.1 Ų | 87.1 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.6 | -30.3 | 173.7 | -164 | 67.2 | 0 | 0 | 0 | 111.8 | F52 N54 L62 | F52-L58 HydrophobicContact CD1-CD1 4.22Å; N54-L58 PolarHBondContact O-N 3.12Å; N54-L58 VanDerWaalsContact O-N 3.12Å; L58-L62 HydrophobicContact CD2-CD1 4.35Å; L58-L62 HydrophobicContact CG-CD1 3.93Å; L58-L62 HydrophobicContact CG-CG 4.37Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 WeakPolarHBondContact O-CG 3.22Å; L58-L62 PolarHBondContact O-N 3.46Å |
| 59 | M | 39.6 | Very low | 42.6 | Very low | 113 Ų | 113 | 88.5 Ų | 88.5 | 56% | 0.557 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.4 | -60.2 | 174 | -104.2 | -104.8 | -97.2 | 0 | 0 | 112.9 | T55 Y57 F61 L62 L63 | T55-M59 WeakPolarHBondContact O-CB 3.48Å; T55-M59 PolarHBondContact O-N 2.83Å; Y57-M59 VanDerWaalsContact C-N 3.28Å; M59-F61 VanDerWaalsContact C-N 3.26Å; M59-F61 PolarHBondContact O-N 3.19Å; M59-L62 PolarHBondContact O-N 3.37Å; M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 PolarHBondContact O-N 2.87Å; M59-L63 VanDerWaalsContact O-N 3.12Å; M59-L63 HydrophobicContact SD-CD1 3.38Å; M59-L63 WeakPolarHBondContact SD-CD1 3.17Å |
| 60 | P | 37.9 | Very low | 42.7 | Very low | 36 Ų | 36 | 84.6 Ų | 84.6 | 23% | 0.234 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.1 | -29.9 | -177.3 | 20 | -31.5 | 0 | 0 | 0 | 113.8 | E56 Y57 N64 | E56-P60 WeakPolarHBondContact O-CD 3.46Å; Y57-P60 VanDerWaalsContact O-CD 3.24Å; Y57-P60 WeakPolarHBondContact O-CD 3.47Å; Y57-P60 VanDerWaalsContact O-CG 3.27Å; Y57-P60 WeakPolarHBondContact O-CG 3.06Å; P60-N64 WeakPolarHBondContact O-CB 3.47Å; P60-N64 PolarHBondContact O-N 2.84Å |
| 61 | F | 43.4 | Very low | 42.7 | Very low | 134 Ų | 134 | 88.3 Ų | 88.3 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -74.1 | -49.7 | 177.8 | -171.8 | -94.3 | 0 | 0 | 0 | 113 | M59 L63 N64 Q65 | M59-F61 VanDerWaalsContact C-N 3.26Å; M59-F61 PolarHBondContact O-N 3.19Å; F61-L63 PolarHBondContact O-N 3.31Å; F61-N64 PolarHBondContact O-N 3.33Å; F61-Q65 PolarHBondContact O-N 3.03Å; F61-Q65 VanDerWaalsContact O-N 3.17Å |
| 62 | L | 40.6 | Very low | 42.6 | Very low | 95 Ų | 95 | 92.6 Ų | 92.6 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 176.9 | -78.2 | 171.9 | 0 | 0 | 0 | 111.7 | L58 M59 Q65 C66 | L58-L62 HydrophobicContact CD2-CD1 4.35Å; L58-L62 HydrophobicContact CG-CD1 3.93Å; L58-L62 HydrophobicContact CG-CG 4.37Å; L58-L62 WeakPolarHBondContact O-CB 3.47Å; L58-L62 WeakPolarHBondContact O-CG 3.22Å; L58-L62 PolarHBondContact O-N 3.46Å; M59-L62 PolarHBondContact O-N 3.37Å; L62-Q65 WeakPolarHBondContact O-CB 2.8Å; L62-Q65 PolarHBondContact O-N 3.21Å; L62-C66 PolarHBondContact O-N 3.31Å; L62-C66 PolarHBondContact O-SG 3.26Å |
| 63 | L | 46.8 | Very low | 42.8 | Very low | 35 Ų | 35 | 92 Ų | 92 | 18% | 0.183 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -93.8 | -27.7 | -164.7 | -128.7 | 162.6 | 0 | 0 | 0 | 107.8 | L17 M59 F61 Q65 C66 G67 | L17-L63 HydrophobicContact CD1-CB 3.7Å; L17-L63 HydrophobicContact CD1-CD1 3.46Å; L17-L63 VanDerWaalsContact CD1-CD1 3.46Å; L17-L63 HydrophobicContact CD1-CD2 3.47Å; L17-L63 VanDerWaalsContact CD1-CD2 3.47Å; L17-L63 HydrophobicContact CD1-CG 3.58Å; L17-L63 VanDerWaalsContact CD2-CA 3.5Å; L17-L63 HydrophobicContact CD2-CB 3.2Å; L17-L63 HydrophobicContact CD2-CD1 4.44Å; L17-L63 HydrophobicContact CD2-CD2 3.18Å; L17-L63 HydrophobicContact CD2-CG 3.55Å; L17-L63 WeakPolarHBondContact CD2-O 3.44Å; L17-L63 HydrophobicContact CG-CB 3.35Å; L17-L63 HydrophobicContact CG-CD1 4.14Å; L17-L63 HydrophobicContact CG-CD2 3.74Å; L17-L63 HydrophobicContact CG-CG 3.77Å; M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 PolarHBondContact O-N 2.87Å; M59-L63 VanDerWaalsContact O-N 3.12Å; M59-L63 HydrophobicContact SD-CD1 3.38Å; M59-L63 WeakPolarHBondContact SD-CD1 3.17Å; F61-L63 PolarHBondContact O-N 3.31Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.17Å; L63-C66 PolarHBondContact O-N 3.42Å; L63-G67 PolarHBondContact O-N 3.46Å |
| 64 | N | 44.3 | Very low | 42.8 | Very low | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 158.4 | -176.2 | 32.6 | 0 | 0 | 0 | 111.7 | P60 F61 G67 S68 | P60-N64 WeakPolarHBondContact O-CB 3.47Å; P60-N64 PolarHBondContact O-N 2.84Å; F61-N64 PolarHBondContact O-N 3.33Å; N64-G67 PolarHBondContact O-N 2.98Å; N64-S68 PolarHBondContact O-N 3.35Å; N64-S68 PolarHBondContact O-OG 3.17Å |
| 65 | Q | 42.7 | Very low | 42.7 | Very low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.542 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.8 | -36.2 | 178 | -158.1 | 60.5 | 73 | 0 | 0 | 112.9 | F61 L62 L63 G67 S68 L69 | F61-Q65 PolarHBondContact O-N 3.03Å; F61-Q65 VanDerWaalsContact O-N 3.17Å; L62-Q65 WeakPolarHBondContact O-CB 2.8Å; L62-Q65 PolarHBondContact O-N 3.21Å; L63-Q65 VanDerWaalsContact C-N 3.28Å; L63-Q65 PolarHBondContact O-N 3.17Å; Q65-G67 VanDerWaalsContact C-N 3.33Å; Q65-S68 PolarHBondContact O-N 3.49Å; Q65-L69 PolarHBondContact O-N 3.25Å |
| 66 | C | 44.1 | Very low | 43.1 | Very low | 62 Ų | 62 | 88.6 Ų | 88.6 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 171.1 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | L62 L63 S68 L69 L70 | L62-C66 PolarHBondContact O-N 3.31Å; L62-C66 PolarHBondContact O-SG 3.26Å; L63-C66 PolarHBondContact O-N 3.42Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 3.33Å; C66-L69 WeakPolarHBondContact O-CB 3.27Å; C66-L69 PolarHBondContact O-N 3.48Å; C66-L69 VanDerWaalsContact O-N 3.15Å; C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 PolarHBondContact O-N 2.98Å |
| 67 | G | 46 | Very low | 43.1 | Very low | 14 Ų | 14 | 86.4 Ų | 86.4 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L63 N64 Q65 L69 Y71 | L63-G67 PolarHBondContact O-N 3.46Å; N64-G67 PolarHBondContact O-N 2.98Å; Q65-G67 VanDerWaalsContact C-N 3.33Å; G67-L69 VanDerWaalsContact C-N 3.34Å; G67-L69 PolarHBondContact O-N 2.96Å; G67-Y71 VanDerWaalsContact O-CB 3.23Å; G67-Y71 WeakPolarHBondContact O-CB 3.37Å; G67-Y71 PolarHBondContact O-N 3.32Å |
| 68 | S | 46.4 | Very low | 43.1 | Very low | 54 Ų | 54 | 86.6 Ų | 86.6 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.3 | -42 | 0 | 0 | 0 | 0 | 112.3 | N64 Q65 C66 Y72 | N64-S68 PolarHBondContact O-N 3.35Å; N64-S68 PolarHBondContact O-OG 3.17Å; Q65-S68 PolarHBondContact O-N 3.49Å; C66-S68 VanDerWaalsContact C-N 3.32Å; C66-S68 PolarHBondContact O-N 3.33Å; S68-Y72 WeakPolarHBondContact O-CD2 3.22Å; S68-Y72 PolarHBondContact O-N 3.26Å |
| 69 | L | 41.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 90.6 Ų | 90.6 | 62% | 0.623 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.5 | -41.5 | -179.7 | -163 | 73.1 | 0 | 0 | 0 | 112.1 | Q65 C66 G67 Y72 L73 | Q65-L69 PolarHBondContact O-N 3.25Å; C66-L69 WeakPolarHBondContact O-CB 3.27Å; C66-L69 PolarHBondContact O-N 3.48Å; C66-L69 VanDerWaalsContact O-N 3.15Å; G67-L69 VanDerWaalsContact C-N 3.34Å; G67-L69 PolarHBondContact O-N 2.96Å; L69-Y72 PolarHBondContact O-N 3.39Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 3.18Å; L69-L73 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 46.3 | Very low | 43.5 | Very low | 56 Ų | 56 | 91.2 Ų | 91.2 | 29% | 0.293 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 175.7 | -106.1 | 148.3 | 0 | 0 | 0 | 112.4 | A10 V14 C66 L73 T74 | A10-L70 HydrophobicContact CB-CD1 3.85Å; A10-L70 HydrophobicContact CB-CD2 3.52Å; A10-L70 HydrophobicContact CB-CG 4.33Å; V14-L70 HydrophobicContact CG2-CD1 4.37Å; C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 PolarHBondContact O-N 2.98Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-T74 VanDerWaalsContact O-CB 3.28Å; L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.32Å; L70-T74 PolarHBondContact O-OG1 3.21Å |
| 71 | Y | 47.5 | Very low | 43.9 | Very low | 157 Ų | 157 | 95.5 Ų | 95.5 | 62% | 0.616 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 171.7 | -178.2 | -101.3 | 0 | 0 | 0 | 111.3 | G67 L73 T74 L75 | G67-Y71 VanDerWaalsContact O-CB 3.23Å; G67-Y71 WeakPolarHBondContact O-CB 3.37Å; G67-Y71 PolarHBondContact O-N 3.32Å; Y71-L73 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-N 2.62Å; Y71-L75 WeakPolarHBondContact O-CB 3.36Å; Y71-L75 PolarHBondContact O-N 3.44Å |
| 72 | Y | 44.8 | Very low | 44 | Very low | 180 Ų | 180 | 95.4 Ų | 95.4 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -37.7 | 174.8 | -98 | -80.7 | 0 | 0 | 0 | 113.4 | S68 L69 | S68-Y72 WeakPolarHBondContact O-CD2 3.22Å; S68-Y72 PolarHBondContact O-N 3.26Å; L69-Y72 PolarHBondContact O-N 3.39Å |
| 73 | L | 44.9 | Very low | 44.4 | Very low | 112 Ų | 112 | 93.5 Ų | 93.5 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.4 | -31.8 | 176.9 | -71.9 | 165 | 0 | 0 | 0 | 112.9 | L69 L70 Y71 | L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 3.18Å; L69-L73 VanDerWaalsContact O-N 3.09Å; L70-L73 PolarHBondContact O-N 3.45Å; Y71-L73 PolarHBondContact O-N 3.48Å |
| 74 | T | 40.4 | Very low | 44.3 | Very low | 55 Ų | 55 | 97 Ų | 97 | 34% | 0.337 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.8 | -39 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | L70 Y71 A76 S77 | L70-T74 VanDerWaalsContact O-CB 3.28Å; L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.32Å; L70-T74 PolarHBondContact O-OG1 3.21Å; Y71-T74 PolarHBondContact O-N 2.62Å; T74-A76 PolarHBondContact O-N 2.99Å; T74-S77 PolarHBondContact O-N 3.44Å |
| 75 | L | 42.1 | Very low | 44.2 | Very low | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -24.5 | 174.6 | -151.5 | 73.4 | 0 | 0 | 0 | 112.2 | Y71 L80 | Y71-L75 WeakPolarHBondContact O-CB 3.36Å; Y71-L75 PolarHBondContact O-N 3.44Å; L75-L80 HydrophobicContact CD1-CD2 4.29Å |
| 76 | A | 43.8 | Very low | 44.5 | Very low | 76 Ų | 76 | 94.3 Ų | 94.3 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T74 | T74-A76 PolarHBondContact O-N 2.99Š|
| 77 | S | 42.9 | Very low | 44.6 | Very low | 77 Ų | 77 | 93.6 Ų | 93.6 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | -9.2 | -163.9 | -61.7 | 0 | 0 | 0 | 0 | 120.6 | T74 | T74-S77 PolarHBondContact O-N 3.44Š|
| 78 | T | 39.6 | Very low | 44.9 | Very low | 79 Ų | 79 | 98 Ų | 98 | 49% | 0.485 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -159 | 150.6 | 174.4 | -39.4 | 0 | 0 | 0 | 0 | 115.4 | M1 | M1-T78 HydrophobicContact SD-CG2 4.25Š|
| 79 | D | 43.1 | Very low | 44.8 | Very low | 146 Ų | 146 | 98.6 Ų | 98.6 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | trans | -44.2 | 124.2 | -176.5 | -69.7 | -65.1 | 0 | 0 | 0 | 116.1 | T81 | D79-T81 PolarHBondContact O-N 3.06Š| ||
| 80 | L | 45.1 | Very low | 45 | Very low | 127 Ų | 127 | 93.9 Ų | 93.9 | 67% | 0.665 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -2.3 | -157 | -85.4 | 116.5 | 0 | 0 | 0 | 118.6 | L75 | L75-L80 HydrophobicContact CD1-CD2 4.29Š|
| 81 | T | 46.2 | Very low | 45.1 | Very low | 126 Ų | 126 | 91.8 Ų | 91.8 | 77% | 0.773 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -21.9 | -160.1 | -46.5 | 0 | 0 | 0 | 0 | 115.8 | D79 | D79-T81 PolarHBondContact O-N 3.06Š|
| 82 | L | 45.8 | Very low | 45 | Very low | 131 Ų | 131 | 89 Ų | 89 | 69% | 0.686 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -108.4 | -15.9 | -174.9 | -76.2 | 162.4 | 0 | 0 | 0 | 114.7 | P85 I86 | L82-P85 WeakPolarHBondContact O-CD 3.37Å; L82-I86 WeakPolarHBondContact O-CD1 3.48Å; L82-I86 WeakPolarHBondContact O-CG1 3.28Å |
| 83 | A | 47.7 | Very low | 45.2 | Very low | 56 Ų | 56 | 82.4 Ų | 82.4 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.8 | -34.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C87 | A83-C87 WeakPolarHBondContact O-CB 3.36Å; A83-C87 PolarHBondContact O-N 3.28Å |
| 84 | V | 44.4 | Very low | 45.3 | Very low | 107 Ų | 107 | 79.6 Ų | 79.6 | 65% | 0.648 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -50.4 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 113.4 | I86 N88 | V84-I86 PolarHBondContact O-N 3.41Å; V84-N88 PolarHBondContact O-N 3.39Å |
| 85 | P | 42.8 | Very low | 45.4 | Very low | 70 Ų | 70 | 78.8 Ų | 78.8 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.6 | -29.6 | 179.4 | 23.5 | -31.7 | 0 | 0 | 0 | 113.8 | L82 S89 | L82-P85 WeakPolarHBondContact O-CD 3.37Å; P85-S89 PolarHBondContact O-N 3.5Å; P85-S89 PolarHBondContact O-OG 3.49Å |
| 86 | I | 48.8 | Very low | 45.6 | Very low | 74 Ų | 74 | 77.4 Ų | 77.4 | 38% | 0.379 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 177.7 | -65.7 | 178.1 | 0 | 0 | 0 | 110.7 | L82 V84 N88 S89 L90 | L82-I86 WeakPolarHBondContact O-CD1 3.48Å; L82-I86 WeakPolarHBondContact O-CG1 3.28Å; V84-I86 PolarHBondContact O-N 3.41Å; I86-N88 PolarHBondContact O-N 3.16Å; I86-S89 PolarHBondContact O-N 3Å; I86-L90 HydrophobicContact CG2-CD1 4.41Å; I86-L90 PolarHBondContact O-N 3.15Å |
| 87 | C | 46.9 | Very low | 45.6 | Very low | 46 Ų | 46 | 76.5 Ų | 76.5 | 31% | 0.311 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176.3 | -120.5 | 0 | 0 | 0 | 0 | 112.4 | L11 A83 S89 L90 A91 | L11-C87 WeakPolarHBondContact CD2-SG 3.42Å; A83-C87 WeakPolarHBondContact O-CB 3.36Å; A83-C87 PolarHBondContact O-N 3.28Å; C87-S89 VanDerWaalsContact C-N 3.32Å; C87-S89 PolarHBondContact O-N 2.97Å; C87-L90 PolarHBondContact O-N 2.65Å; C87-A91 WeakPolarHBondContact O-CB 3.48Å; C87-A91 PolarHBondContact O-N 3.03Å |
| 88 | N | 51.9 | Low | 45.7 | Very low | 108 Ų | 108 | 74.6 Ų | 74.6 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | -179.6 | -165 | 17 | 0 | 0 | 0 | 111.9 | V84 I86 I92 | V84-N88 PolarHBondContact O-N 3.39Å; I86-N88 PolarHBondContact O-N 3.16Å; N88-I92 PolarHBondContact O-N 3.42Å |
| 89 | S | 44.1 | Very low | 45.7 | Very low | 66 Ų | 66 | 71.3 Ų | 71.3 | 46% | 0.462 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 179.2 | -55 | 0 | 0 | 0 | 0 | 112.6 | P85 I86 C87 I93 | P85-S89 PolarHBondContact O-N 3.5Å; P85-S89 PolarHBondContact O-OG 3.49Å; I86-S89 PolarHBondContact O-N 3Å; C87-S89 VanDerWaalsContact C-N 3.32Å; C87-S89 PolarHBondContact O-N 2.97Å; S89-I93 PolarHBondContact O-N 2.95Å |
| 90 | L | 46.7 | Very low | 45.8 | Very low | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 174.6 | -105.9 | 64.6 | 0 | 0 | 0 | 111.9 | V12 A15 I86 C87 I92 I93 F94 T118 I122 | V12-L90 HydrophobicContact CG2-CD2 3.64Å; A15-L90 VanDerWaalsContact CB-C 3.45Å; A15-L90 HydrophobicContact CB-CB 4Å; A15-L90 WeakPolarHBondContact CB-O 3.14Å; I86-L90 HydrophobicContact CG2-CD1 4.41Å; I86-L90 PolarHBondContact O-N 3.15Å; C87-L90 PolarHBondContact O-N 2.65Å; L90-I92 PolarHBondContact O-N 3.02Å; L90-I93 PolarHBondContact O-N 3.4Å; L90-F94 PolarHBondContact O-N 3.27Å; L90-T118 HydrophobicContact CD1-CG2 3.87Å; L90-I122 HydrophobicContact CD1-CD1 3.86Å; L90-I122 HydrophobicContact CD1-CG1 3.86Å; L90-I122 HydrophobicContact CD2-CD1 3.82Å; L90-I122 HydrophobicContact CD2-CG1 4.18Å; L90-I122 HydrophobicContact CG-CD1 3.97Å; L90-I122 HydrophobicContact CG-CG1 4.42Å |
| 91 | A | 46.9 | Very low | 45.6 | Very low | 13 Ų | 13 | 65.5 Ų | 65.5 | 11% | 0.107 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A15 C87 I93 F94 T95 | A15-A91 HydrophobicContact CB-CB 4.16Å; C87-A91 WeakPolarHBondContact O-CB 3.48Å; C87-A91 PolarHBondContact O-N 3.03Å; A91-I93 VanDerWaalsContact C-N 3.27Å; A91-I93 PolarHBondContact O-N 3.46Å; A91-F94 PolarHBondContact O-N 3.36Å; A91-T95 PolarHBondContact O-N 2.96Å; A91-T95 PolarHBondContact O-OG1 3.38Å |
| 92 | I | 46.7 | Very low | 45.3 | Very low | 99 Ų | 99 | 62 Ų | 62 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 178.9 | -68.7 | 177.1 | 0 | 0 | 0 | 111.9 | N88 L90 T95 L96 | N88-I92 PolarHBondContact O-N 3.42Å; L90-I92 PolarHBondContact O-N 3.02Å; I92-T95 WeakPolarHBondContact CA-OG1 3.48Å; I92-T95 WeakPolarHBondContact O-CB 3.23Å; I92-T95 PolarHBondContact O-OG1 2.9Å; I92-L96 HydrophobicContact CG2-CD1 4.48Å; I92-L96 WeakPolarHBondContact O-CG 3.2Å; I92-L96 PolarHBondContact O-N 3.11Å |
| 93 | I | 47.8 | Very low | 45 | Very low | 40 Ų | 40 | 58.8 Ų | 58.8 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76 | -40.2 | -176.4 | -77.1 | 165.7 | 0 | 0 | 0 | 111.2 | S89 L90 A91 T95 L96 I97 T118 | S89-I93 PolarHBondContact O-N 2.95Å; L90-I93 PolarHBondContact O-N 3.4Å; A91-I93 VanDerWaalsContact C-N 3.27Å; A91-I93 PolarHBondContact O-N 3.46Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 3.44Å; I93-L96 WeakPolarHBondContact O-CB 3.42Å; I93-L96 PolarHBondContact O-N 3.38Å; I93-L96 VanDerWaalsContact O-N 3.12Å; I93-I97 HydrophobicContact CG2-CD1 4.4Å; I93-I97 WeakPolarHBondContact O-CG1 3.44Å; I93-I97 PolarHBondContact O-N 3.07Å; I93-I97 VanDerWaalsContact O-N 3.15Å; I93-T118 HydrophobicContact CB-CG2 4.23Å; I93-T118 HydrophobicContact CD1-CG2 3.12Å; I93-T118 WeakPolarHBondContact CD1-OG1 3.49Å; I93-T118 HydrophobicContact CG1-CG2 4.19Å; I93-T118 HydrophobicContact CG2-CG2 4.07Å; I93-T118 VanDerWaalsContact CG2-OG1 3.27Å; I93-T118 WeakPolarHBondContact CG2-OG1 3.36Å |
| 94 | F | 47.2 | Very low | 44.4 | Very low | 53 Ų | 53 | 58.9 Ų | 58.9 | 23% | 0.232 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.4 | -29.1 | 177.7 | -139.3 | -62.7 | 0 | 0 | 0 | 111.5 | V12 A15 A16 L90 A91 L96 I97 V98 | V12-F94 HydrophobicContact CG1-CD2 3.7Å; V12-F94 HydrophobicContact CG1-CE2 3.27Å; V12-F94 HydrophobicContact CG1-CZ 4.34Å; V12-F94 WeakPolarHBondContact O-CD2 3.32Å; V12-F94 WeakPolarHBondContact O-CE2 3.36Å; A15-F94 HydrophobicContact CB-CB 4.02Å; A16-F94 HydrophobicContact CB-CB 4.22Å; A16-F94 HydrophobicContact CB-CD1 2.94Å; A16-F94 HydrophobicContact CB-CD2 4.14Å; A16-F94 HydrophobicContact CB-CE1 3.04Å; A16-F94 HydrophobicContact CB-CE2 4.26Å; A16-F94 HydrophobicContact CB-CG 3.48Å; A16-F94 VanDerWaalsContact CB-CG 3.48Å; A16-F94 HydrophobicContact CB-CZ 3.72Å; L90-F94 PolarHBondContact O-N 3.27Å; A91-F94 PolarHBondContact O-N 3.36Å; F94-L96 VanDerWaalsContact C-N 3.28Å; F94-L96 PolarHBondContact O-N 3.37Å; F94-I97 PolarHBondContact O-N 3.34Å; F94-V98 HydrophobicContact CD1-CG2 3.93Å; F94-V98 HydrophobicContact CE1-CG2 4.17Å; F94-V98 WeakPolarHBondContact O-CG2 3.2Å; F94-V98 PolarHBondContact O-N 3.03Å; F94-V98 VanDerWaalsContact O-N 3.09Å |
| 95 | T | 43.6 | Very low | 44.4 | Very low | 38 Ų | 38 | 60.9 Ų | 60.9 | 23% | 0.233 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -51.6 | -46.4 | 164.7 | -46.1 | 0 | 0 | 0 | 0 | 111.9 | G19 A91 I92 I93 G99 | G19-T95 VanDerWaalsContact C-CG2 3.47Å; G19-T95 VanDerWaalsContact CA-CB 3.45Å; G19-T95 WeakPolarHBondContact CA-OG1 3.29Å; G19-T95 WeakPolarHBondContact O-CG2 2.94Å; A91-T95 PolarHBondContact O-N 2.96Å; A91-T95 PolarHBondContact O-OG1 3.38Å; I92-T95 WeakPolarHBondContact CA-OG1 3.48Å; I92-T95 WeakPolarHBondContact O-CB 3.23Å; I92-T95 PolarHBondContact O-OG1 2.9Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 3.44Å; T95-G99 PolarHBondContact O-N 3.03Å |
| 96 | L | 45.2 | Very low | 44.4 | Very low | 74 Ų | 74 | 61.4 Ų | 61.4 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.5 | -33.2 | -176.2 | -72.9 | 167.4 | 0 | 0 | 0 | 112.7 | I92 I93 F94 K100 I106 | I92-L96 HydrophobicContact CG2-CD1 4.48Å; I92-L96 WeakPolarHBondContact O-CG 3.2Å; I92-L96 PolarHBondContact O-N 3.11Å; I93-L96 WeakPolarHBondContact O-CB 3.42Å; I93-L96 PolarHBondContact O-N 3.38Å; I93-L96 VanDerWaalsContact O-N 3.12Å; F94-L96 VanDerWaalsContact C-N 3.28Å; F94-L96 PolarHBondContact O-N 3.37Å; L96-K100 PolarHBondContact O-N 3.43Å; L96-K100 VanDerWaalsContact O-N 3.13Å; L96-I106 HydrophobicContact CD2-CG2 4.26Å |
| 97 | I | 44.6 | Very low | 44.5 | Very low | 58 Ų | 58 | 59.6 Ų | 59.6 | 30% | 0.297 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 176.1 | -63.7 | 174 | 0 | 0 | 0 | 110.5 | I93 F94 K100 A101 M115 | I93-I97 HydrophobicContact CG2-CD1 4.4Å; I93-I97 WeakPolarHBondContact O-CG1 3.44Å; I93-I97 PolarHBondContact O-N 3.07Å; I93-I97 VanDerWaalsContact O-N 3.15Å; F94-I97 PolarHBondContact O-N 3.34Å; I97-K100 WeakPolarHBondContact O-CB 3.21Å; I97-K100 PolarHBondContact O-N 2.97Å; I97-A101 PolarHBondContact O-N 3.33Å; I97-M115 HydrophobicContact CD1-CG 3.83Å; I97-M115 HydrophobicContact CD1-SD 4.01Å; I97-M115 HydrophobicContact CG1-CE 4.11Å; I97-M115 HydrophobicContact CG1-CG 3.7Å; I97-M115 HydrophobicContact CG1-SD 3.63Å |
| 98 | V | 43.8 | Very low | 44.5 | Very low | 36 Ų | 36 | 59.6 Ų | 59.6 | 22% | 0.218 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 179 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | F94 K100 A101 L102 | F94-V98 HydrophobicContact CD1-CG2 3.93Å; F94-V98 HydrophobicContact CE1-CG2 4.17Å; F94-V98 WeakPolarHBondContact O-CG2 3.2Å; F94-V98 PolarHBondContact O-N 3.03Å; F94-V98 VanDerWaalsContact O-N 3.09Å; V98-K100 VanDerWaalsContact C-N 3.29Å; V98-K100 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 2.95Å; V98-L102 PolarHBondContact O-N 2.82Å; V98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | G | 41.3 | Very low | 44.1 | Very low | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T95 | T95-G99 PolarHBondContact O-N 3.03Å |
| 100 | K | 43.8 | Very low | 44 | Very low | 61 Ų | 61 | 71.4 Ų | 71.4 | 27% | 0.265 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 174.1 | -96.5 | -78.6 | 177.9 | 61.4 | 0 | 113.6 | L96 I97 V98 L102 G103 I106 G107 | L96-K100 PolarHBondContact O-N 3.43Å; L96-K100 VanDerWaalsContact O-N 3.13Å; I97-K100 WeakPolarHBondContact O-CB 3.21Å; I97-K100 PolarHBondContact O-N 2.97Å; V98-K100 VanDerWaalsContact C-N 3.29Å; V98-K100 PolarHBondContact O-N 3.42Å; K100-L102 PolarHBondContact O-N 3.13Å; K100-G103 PolarHBondContact O-N 3.44Å; K100-I106 WeakPolarHBondContact CE-O 3.46Å; K100-I106 PolarHBondContact NZ-O 2.68Å; K100-G107 PolarHBondContact NZ-O 2.86Å |
| 101 | A | 40.8 | Very low | 44 | Very low | 89 Ų | 89 | 71.2 Ų | 71.2 | 74% | 0.736 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.7 | -25.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | I97 V98 G103 | I97-A101 PolarHBondContact O-N 3.33Å; V98-A101 PolarHBondContact O-N 2.95Å; A101-G103 PolarHBondContact O-N 3.41Å |
| 102 | L | 39.8 | Very low | 44 | Very low | 54 Ų | 54 | 74.4 Ų | 74.4 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 4.2 | 175.7 | -128.3 | 71.4 | 0 | 0 | 0 | 114.2 | L24 R27 V98 K100 | L24-L102 HydrophobicContact CD1-CD1 4.18Å; L24-L102 HydrophobicContact CD1-CD2 3.62Å; L24-L102 HydrophobicContact CG-CD2 3.81Å; R27-L102 PolarHBondContact NH1-O 3.38Å; V98-L102 PolarHBondContact O-N 2.82Å; V98-L102 VanDerWaalsContact O-N 3.15Å; K100-L102 PolarHBondContact O-N 3.13Å |
| 103 | G | 40 | Very low | 44 | Very low | 62 Ų | 62 | 72.5 Ų | 72.5 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 17.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K100 A101 | K100-G103 PolarHBondContact O-N 3.44Å; A101-G103 PolarHBondContact O-N 3.41Å |
| 104 | E | 36.2 | Very low | 43.9 | Very low | 58 Ų | 58 | 72 Ų | 72 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | trans | -83.6 | 127.9 | 162.5 | -71.7 | -172.7 | 148.6 | 0 | 0 | 109.5 | R27 I106 | R27-E104 IonicContact CZ-OE1 3.43Å; R27-E104 IonicContact NE-OE1 2.99Å; R27-E104 PolarHBondContact NE-OE1 3.25Å; R27-E104 IonicContact NH2-OE1 3.5Å; R27-E104 PolarHBondContact NH2-OE1 2.91Å; E104-I106 HydrophobicContact CB-CD1 3.79Å; E104-I106 HydrophobicContact CB-CG1 3.97Å; E104-I106 HydrophobicContact CG-CD1 4.5Å; E104-I106 PolarHBondContact O-N 3.01Å; E104-I106 WeakPolarHBondContact OE2-CD1 3.48Å | ||
| 105 | D | 43.1 | Very low | 44 | Very low | 150 Ų | 150 | 71.7 Ų | 71.7 | 80% | 0.802 | 42% | 0.42 | S | S | * | . | trans | -73.9 | 64.9 | 173.8 | -153 | -54.7 | 0 | 0 | 0 | 110 | ||||
| 106 | I | 42.8 | Very low | 44.2 | Very low | 81 Ų | 81 | 73.7 Ų | 73.7 | 42% | 0.415 | 43% | 0.432 | S | S | . | . | trans | -97.8 | 98.7 | 178.1 | -69.6 | 170.3 | 0 | 0 | 0 | 108.1 | L96 K100 E104 | L96-I106 HydrophobicContact CD2-CG2 4.26Å; K100-I106 WeakPolarHBondContact CE-O 3.46Å; K100-I106 PolarHBondContact NZ-O 2.68Å; E104-I106 HydrophobicContact CB-CD1 3.79Å; E104-I106 HydrophobicContact CB-CG1 3.97Å; E104-I106 HydrophobicContact CG-CD1 4.5Å; E104-I106 PolarHBondContact O-N 3.01Å; E104-I106 WeakPolarHBondContact OE2-CD1 3.48Å | ||
| 107 | G | 50.6 | Low | 44.4 | Very low | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 45% | 0.445 | S | S | . | . | trans | 83.8 | 97.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K100 A111 | K100-G107 PolarHBondContact NZ-O 2.86Å; G107-A111 WeakPolarHBondContact O-CB 3.19Å | ||
| 108 | G | 47.3 | Very low | 44.6 | Very low | 45 Ų | 45 | 74.1 Ų | 74.1 | 46% | 0.464 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -58.2 | -132.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R110 A111 | G108-R110 PolarHBondContact O-N 2.91Å; G108-A111 PolarHBondContact O-N 3.35Å |
| 109 | K | 43.7 | Very low | 44.9 | Very low | 197 Ų | 197 | 76.7 Ų | 76.7 | 86% | 0.857 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -51.2 | -24.6 | -172.1 | -54.8 | -178.1 | -175.1 | -175.4 | 0 | 114.8 | A113 | K109-A113 PolarHBondContact O-N 2.89Å; K109-A113 VanDerWaalsContact O-N 3.15Å |
| 110 | R | 42.5 | Very low | 45.5 | Very low | 226 Ų | 226 | 80 Ų | 80 | 85% | 0.853 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.1 | -33.1 | 178.7 | -58.9 | -177.3 | -169.7 | 176.6 | 3.1 | 114.1 | G108 A113 G114 | G108-R110 PolarHBondContact O-N 2.91Å; R110-A113 PolarHBondContact O-N 3.31Å; R110-G114 PolarHBondContact O-N 3.39Å |
| 111 | A | 45.6 | Very low | 45.8 | Very low | 15 Ų | 15 | 78.6 Ų | 78.6 | 12% | 0.124 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G107 G108 A113 G114 M115 | G107-A111 WeakPolarHBondContact O-CB 3.19Å; G108-A111 PolarHBondContact O-N 3.35Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-G114 PolarHBondContact O-N 2.94Å; A111-G114 VanDerWaalsContact O-N 3.16Å; A111-M115 HydrophobicContact CB-CE 4.33Å; A111-M115 WeakPolarHBondContact O-CG 3.43Å; A111-M115 PolarHBondContact O-N 2.85Å |
| 112 | V | 47.6 | Very low | 46.3 | Very low | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.485 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | G114 M115 V116 | V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.09Å; V112-M115 PolarHBondContact O-N 3.48Å; V112-V116 WeakPolarHBondContact O-CG2 3.47Å; V112-V116 PolarHBondContact O-N 3.41Å |
| 113 | A | 46.8 | Very low | 46.8 | Very low | 58 Ų | 58 | 75.9 Ų | 75.9 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K109 R110 A111 V116 L117 | K109-A113 PolarHBondContact O-N 2.89Å; K109-A113 VanDerWaalsContact O-N 3.15Å; R110-A113 PolarHBondContact O-N 3.31Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A113-V116 PolarHBondContact O-N 2.86Å; A113-L117 VanDerWaalsContact O-CB 3.28Å; A113-L117 WeakPolarHBondContact O-CB 3.42Å; A113-L117 PolarHBondContact O-N 3.28Å |
| 114 | G | 46.5 | Very low | 47.4 | Very low | 29 Ų | 29 | 78.2 Ų | 78.2 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R110 A111 V112 L117 T118 | R110-G114 PolarHBondContact O-N 3.39Å; A111-G114 PolarHBondContact O-N 2.94Å; A111-G114 VanDerWaalsContact O-N 3.16Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 3.09Å; G114-L117 PolarHBondContact O-N 3.18Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 PolarHBondContact O-OG1 2.68Å |
| 115 | M | 47.5 | Very low | 47.9 | Very low | 48 Ų | 48 | 78.1 Ų | 78.1 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.2 | -66.9 | 175.7 | -133.3 | 0 | 0 | 112.3 | I97 A111 V112 L117 T118 V119 | I97-M115 HydrophobicContact CD1-CG 3.83Å; I97-M115 HydrophobicContact CD1-SD 4.01Å; I97-M115 HydrophobicContact CG1-CE 4.11Å; I97-M115 HydrophobicContact CG1-CG 3.7Å; I97-M115 HydrophobicContact CG1-SD 3.63Å; A111-M115 HydrophobicContact CB-CE 4.33Å; A111-M115 WeakPolarHBondContact O-CG 3.43Å; A111-M115 PolarHBondContact O-N 2.85Å; V112-M115 PolarHBondContact O-N 3.48Å; M115-L117 VanDerWaalsContact C-N 3.3Å; M115-L117 PolarHBondContact O-N 3.47Å; M115-T118 WeakPolarHBondContact CA-OG1 3.43Å; M115-T118 PolarHBondContact O-N 2.87Å; M115-T118 PolarHBondContact O-OG1 3.1Å; M115-T118 VanDerWaalsContact O-OG1 3.06Å; M115-V119 WeakPolarHBondContact O-CG2 3.28Å; M115-V119 PolarHBondContact O-N 3.32Å |
| 116 | V | 47.7 | Very low | 48.2 | Very low | 79 Ų | 79 | 73 Ų | 73 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.7 | 171 | 0 | 0 | 0 | 0 | 110 | V112 A113 T118 V119 I120 | V112-V116 WeakPolarHBondContact O-CG2 3.47Å; V112-V116 PolarHBondContact O-N 3.41Å; A113-V116 PolarHBondContact O-N 2.86Å; V116-T118 VanDerWaalsContact C-N 3.28Å; V116-T118 PolarHBondContact O-N 3.47Å; V116-V119 PolarHBondContact O-N 3.23Å; V116-I120 HydrophobicContact CG1-CD1 3.7Å; V116-I120 HydrophobicContact CG1-CG1 4.41Å; V116-I120 WeakPolarHBondContact O-CB 3.3Å; V116-I120 WeakPolarHBondContact O-CD1 3.34Å; V116-I120 WeakPolarHBondContact O-CG1 3.42Å; V116-I120 PolarHBondContact O-N 3.45Å |
| 117 | L | 50.1 | Low | 48.6 | Very low | 124 Ų | 124 | 73.6 Ų | 73.6 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.3 | -33.1 | 178.6 | -162.8 | 70.1 | 0 | 0 | 0 | 112.4 | A113 G114 M115 G121 | A113-L117 VanDerWaalsContact O-CB 3.28Å; A113-L117 WeakPolarHBondContact O-CB 3.42Å; A113-L117 PolarHBondContact O-N 3.28Å; G114-L117 PolarHBondContact O-N 3.18Å; M115-L117 VanDerWaalsContact C-N 3.3Å; M115-L117 PolarHBondContact O-N 3.47Å; L117-G121 PolarHBondContact O-N 2.8Å |
| 118 | T | 49.2 | Very low | 48.7 | Very low | 18 Ų | 18 | 76.5 Ų | 76.5 | 11% | 0.11 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73.1 | -44.2 | 175.4 | 0.9 | 0 | 0 | 0 | 0 | 112.5 | L90 I93 G114 M115 V116 I120 G121 I122 | L90-T118 HydrophobicContact CD1-CG2 3.87Å; I93-T118 HydrophobicContact CB-CG2 4.23Å; I93-T118 HydrophobicContact CD1-CG2 3.12Å; I93-T118 WeakPolarHBondContact CD1-OG1 3.49Å; I93-T118 HydrophobicContact CG1-CG2 4.19Å; I93-T118 HydrophobicContact CG2-CG2 4.07Å; I93-T118 VanDerWaalsContact CG2-OG1 3.27Å; I93-T118 WeakPolarHBondContact CG2-OG1 3.36Å; G114-T118 PolarHBondContact O-N 2.98Å; G114-T118 PolarHBondContact O-OG1 2.68Å; M115-T118 WeakPolarHBondContact CA-OG1 3.43Å; M115-T118 PolarHBondContact O-N 2.87Å; M115-T118 PolarHBondContact O-OG1 3.1Å; M115-T118 VanDerWaalsContact O-OG1 3.06Å; V116-T118 VanDerWaalsContact C-N 3.28Å; V116-T118 PolarHBondContact O-N 3.47Å; T118-I120 PolarHBondContact O-N 3.02Å; T118-G121 PolarHBondContact O-N 2.67Å; T118-G121 VanDerWaalsContact O-N 3.13Å; T118-I122 WeakPolarHBondContact O-CB 3.39Å; T118-I122 WeakPolarHBondContact O-CD1 3.48Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 2.8Å |
| 119 | V | 50.3 | Low | 48.7 | Very low | 89 Ų | 89 | 76.6 Ų | 76.6 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | M115 V116 S123 | M115-V119 WeakPolarHBondContact O-CG2 3.28Å; M115-V119 PolarHBondContact O-N 3.32Å; V116-V119 PolarHBondContact O-N 3.23Å; V119-S123 WeakPolarHBondContact O-CB 3.32Å; V119-S123 PolarHBondContact O-N 2.9Å; V119-S123 PolarHBondContact O-OG 3.29Å |
| 120 | I | 53 | Low | 48.6 | Very low | 82 Ų | 82 | 70.1 Ų | 70.1 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 172.6 | -69.4 | 167 | 0 | 0 | 0 | 110.8 | V116 T118 I122 S123 L124 | V116-I120 HydrophobicContact CG1-CD1 3.7Å; V116-I120 HydrophobicContact CG1-CG1 4.41Å; V116-I120 WeakPolarHBondContact O-CB 3.3Å; V116-I120 WeakPolarHBondContact O-CD1 3.34Å; V116-I120 WeakPolarHBondContact O-CG1 3.42Å; V116-I120 PolarHBondContact O-N 3.45Å; T118-I120 PolarHBondContact O-N 3.02Å; I120-I122 PolarHBondContact O-N 3.24Å; I120-S123 PolarHBondContact O-N 3.45Å; I120-L124 HydrophobicContact CG2-CD1 3.76Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CB 3.37Å; I120-L124 WeakPolarHBondContact O-CG 3.39Å; I120-L124 PolarHBondContact O-N 2.82Å |
| 121 | G | 50.8 | Low | 48.5 | Very low | 31 Ų | 31 | 64.3 Ų | 64.3 | 32% | 0.32 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L117 T118 L124 C125 | L117-G121 PolarHBondContact O-N 2.8Å; T118-G121 PolarHBondContact O-N 2.67Å; T118-G121 VanDerWaalsContact O-N 3.13Å; G121-L124 PolarHBondContact O-N 3.34Å; G121-C125 WeakPolarHBondContact O-CB 3.17Å; G121-C125 PolarHBondContact O-N 3.29Å; G121-C125 PolarHBondContact O-SG 3.39Å |
| 122 | I | 51.3 | Low | 48.1 | Very low | 32 Ų | 32 | 75 Ų | 75 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.8 | -64.2 | 161.1 | 0 | 0 | 0 | 110.4 | V8 V12 L90 T118 I120 L124 C125 I126 | V8-I122 HydrophobicContact CG1-CG2 3.31Å; V12-I122 HydrophobicContact CG2-CD1 4.06Å; L90-I122 HydrophobicContact CD1-CD1 3.86Å; L90-I122 HydrophobicContact CD1-CG1 3.86Å; L90-I122 HydrophobicContact CD2-CD1 3.82Å; L90-I122 HydrophobicContact CD2-CG1 4.18Å; L90-I122 HydrophobicContact CG-CD1 3.97Å; L90-I122 HydrophobicContact CG-CG1 4.42Å; T118-I122 WeakPolarHBondContact O-CB 3.39Å; T118-I122 WeakPolarHBondContact O-CD1 3.48Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 2.8Å; I120-I122 PolarHBondContact O-N 3.24Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 3.23Å; I122-C125 PolarHBondContact O-N 3.2Å; I122-I126 HydrophobicContact CG2-CD1 4.06Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 2.99Å |
| 123 | S | 49.6 | Very low | 47.6 | Very low | 54 Ų | 54 | 76.2 Ų | 76.2 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 178 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | V119 I120 I126 T127 | V119-S123 WeakPolarHBondContact O-CB 3.32Å; V119-S123 PolarHBondContact O-N 2.9Å; V119-S123 PolarHBondContact O-OG 3.29Å; I120-S123 PolarHBondContact O-N 3.45Å; S123-I126 PolarHBondContact O-N 2.72Å; S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.39Å; S123-T127 PolarHBondContact O-N 3.36Å; S123-T127 PolarHBondContact O-OG1 3.42Å |
| 124 | L | 52.4 | Low | 47.2 | Very low | 110 Ų | 110 | 77.5 Ų | 77.5 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 173.9 | -76.2 | 169.4 | 0 | 0 | 0 | 111.8 | I120 G121 I122 T127 S128 | I120-L124 HydrophobicContact CG2-CD1 3.76Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CB 3.37Å; I120-L124 WeakPolarHBondContact O-CG 3.39Å; I120-L124 PolarHBondContact O-N 2.82Å; G121-L124 PolarHBondContact O-N 3.34Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 PolarHBondContact O-N 3.23Å; L124-T127 PolarHBondContact O-N 3.46Å; L124-S128 WeakPolarHBondContact O-CB 3.19Å; L124-S128 PolarHBondContact O-N 2.91Å; L124-S128 PolarHBondContact O-OG 3.21Å |
| 125 | C | 48.4 | Very low | 46.4 | Very low | 57 Ų | 57 | 83.5 Ų | 83.5 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 173 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | G121 I122 S128 S129 | G121-C125 WeakPolarHBondContact O-CB 3.17Å; G121-C125 PolarHBondContact O-N 3.29Å; G121-C125 PolarHBondContact O-SG 3.39Å; I122-C125 PolarHBondContact O-N 3.2Å; C125-S128 PolarHBondContact O-OG 3.35Å; C125-S128 VanDerWaalsContact O-OG 3.12Å; C125-S129 WeakPolarHBondContact O-CB 3.49Å; C125-S129 PolarHBondContact O-N 2.76Å; C125-S129 PolarHBondContact O-OG 3.06Å |
| 126 | I | 49.5 | Very low | 45.7 | Very low | 41 Ų | 41 | 86.5 Ų | 86.5 | 21% | 0.21 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -65.4 | -49 | 172.4 | -67.1 | 164.4 | 0 | 0 | 0 | 109.2 | V8 I122 S123 S128 S129 V130 | V8-I126 HydrophobicContact CB-CD1 4.44Å; V8-I126 HydrophobicContact CG1-CD1 4.09Å; V8-I126 HydrophobicContact CG2-CD1 4.19Å; V8-I126 HydrophobicContact CG2-CG1 3.98Å; I122-I126 HydrophobicContact CG2-CD1 4.06Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 2.99Å; S123-I126 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.2Å; I126-S129 CarbonylContact O-C 3.46Å; I126-S129 WeakPolarHBondContact O-CA 3.49Å; I126-S129 PolarHBondContact O-N 2.66Å; I126-V130 HydrophobicContact CG2-CG2 3.99Å; I126-V130 WeakPolarHBondContact O-CB 3.45Å; I126-V130 WeakPolarHBondContact O-CG2 3.32Å; I126-V130 PolarHBondContact O-N 3.03Å |
| 127 | T | 50.8 | Low | 45.1 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -31.2 | -176.5 | -54 | 0 | 0 | 0 | 0 | 112.3 | S123 L124 | S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.39Å; S123-T127 PolarHBondContact O-N 3.36Å; S123-T127 PolarHBondContact O-OG1 3.42Å; L124-T127 PolarHBondContact O-N 3.46Å |
| 128 | S | 51.7 | Low | 44.6 | Very low | 97 Ų | 97 | 91.4 Ų | 91.4 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78.4 | -27.2 | 172.8 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | L124 C125 I126 | L124-S128 WeakPolarHBondContact O-CB 3.19Å; L124-S128 PolarHBondContact O-N 2.91Å; L124-S128 PolarHBondContact O-OG 3.21Å; C125-S128 PolarHBondContact O-OG 3.35Å; C125-S128 VanDerWaalsContact O-OG 3.12Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.2Å |
| 129 | S | 47 | Very low | 44.1 | Very low | 46 Ų | 46 | 98.5 Ų | 98.5 | 32% | 0.322 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -82.4 | -19.5 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 113 | C125 I126 P131 | C125-S129 WeakPolarHBondContact O-CB 3.49Å; C125-S129 PolarHBondContact O-N 2.76Å; C125-S129 PolarHBondContact O-OG 3.06Å; I126-S129 CarbonylContact O-C 3.46Å; I126-S129 WeakPolarHBondContact O-CA 3.49Å; I126-S129 PolarHBondContact O-N 2.66Å; S129-P131 WeakPolarHBondContact O-CD 3.42Å |
| 130 | V | 42.3 | Very low | 43.8 | Very low | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.376 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -86.3 | 109.6 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | I126 W132 | I126-V130 HydrophobicContact CG2-CG2 3.99Å; I126-V130 WeakPolarHBondContact O-CB 3.45Å; I126-V130 WeakPolarHBondContact O-CG2 3.32Å; I126-V130 PolarHBondContact O-N 3.03Å; V130-W132 PolarHBondContact O-N 3.35Å |
| 131 | P | 41.5 | Very low | 43.4 | Very low | 103 Ų | 103 | 100.5 Ų | 100.5 | 67% | 0.669 | 57% | 0.568 | S | S | * | * | trans | -57.1 | 129.5 | 171.7 | -18.1 | 30.9 | 0 | 0 | 0 | 108.4 | S129 T133 | S129-P131 WeakPolarHBondContact O-CD 3.42Å; P131-T133 PolarHBondContact O-N 3.12Å; P131-T133 PolarHBondContact O-OG1 3.48Å | ||
| 132 | W | 36.3 | Very low | 43.4 | Very low | 239 Ų | 239 | 101 Ų | 101 | 91% | 0.905 | 57% | 0.573 | S | S | * | * | trans | -22.4 | 101.6 | 169.7 | -90 | 80.3 | 0 | 0 | 0 | 112.7 | V130 | V130-W132 PolarHBondContact O-N 3.35Š| ||
| 133 | T | 37.6 | Very low | 43.3 | Very low | 107 Ų | 107 | 105 Ų | 105 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | trans | -136.4 | 47.7 | 165.3 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | P131 E135 | P131-T133 PolarHBondContact O-N 3.12Å; P131-T133 PolarHBondContact O-OG1 3.48Å; T133-E135 PolarHBondContact O-N 3.14Å | ||
| 134 | A | 37.3 | Very low | 43.4 | Very low | 84 Ų | 84 | 108.8 Ų | 108.8 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | trans | -87.6 | 65.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 135 | E | 30.1 | Very low | 43.7 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -135 | 127.5 | 157.1 | -83.7 | -85.2 | 88.2 | 0 | 0 | 103.7 | T133 Q137 | T133-E135 PolarHBondContact O-N 3.14Å; E135-Q137 PolarHBondContact O-N 2.79Å |
| 136 | P | 33.7 | Very low | 44.1 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -54.3 | 130 | 173.9 | 23.7 | -30.2 | 0 | 0 | 0 | 108.2 | L138 | P136-L138 PolarHBondContact O-N 3.18Š| ||
| 137 | Q | 34.6 | Very low | 44.4 | Very low | 148 Ų | 148 | 114.3 Ų | 114.3 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 84.7 | 169.8 | -81.8 | -88 | 0.1 | 0 | 0 | 110.3 | E135 | E135-Q137 PolarHBondContact O-N 2.79Š|
| 138 | L | 39.3 | Very low | 44.8 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.4 | -14 | 170.5 | -137.1 | 71.6 | 0 | 0 | 0 | 117.3 | P136 | P136-L138 PolarHBondContact O-N 3.18Š|
| 139 | H | 39.3 | Very low | 45.6 | Very low | 166 Ų | 166 | 114.8 Ų | 114.8 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -106.5 | -22 | -173.8 | -124.8 | 127 | 0 | 0 | 0 | 117 | ||
| 140 | G | 42.7 | Very low | 46.6 | Very low | 59 Ų | 59 | 118.7 Ų | 118.7 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -92 | -42.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 141 | K | 44.6 | Very low | 47.4 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 67% | 0.674 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.8 | -33.2 | -174.2 | -77 | -170.7 | 170.9 | -177.1 | 0 | 113.4 | Q145 | K141-Q145 WeakPolarHBondContact O-CG 3.33Å; K141-Q145 PolarHBondContact O-N 3.48Å |
| 142 | G | 50.8 | Low | 48.4 | Very low | 41 Ų | 41 | 122.7 Ų | 122.7 | 42% | 0.423 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.1 | -48.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L144 Q145 T146 | G142-L144 VanDerWaalsContact C-N 3.34Å; G142-L144 PolarHBondContact O-N 3Å; G142-Q145 PolarHBondContact O-N 3.43Å; G142-T146 PolarHBondContact O-N 3.31Å; G142-T146 PolarHBondContact O-OG1 3.3Å |
| 143 | Q | 49.1 | Very low | 50.2 | Low | 117 Ų | 117 | 119.7 Ų | 119.7 | 55% | 0.547 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.5 | -34.4 | -176.1 | -136.4 | -146.8 | -70.6 | 0 | 0 | 113.2 | T146 L147 | Q143-T146 PolarHBondContact O-N 3.36Å; Q143-L147 VanDerWaalsContact NE2-CD1 3.33Å; Q143-L147 WeakPolarHBondContact O-CB 3.36Å; Q143-L147 WeakPolarHBondContact O-CG 3.29Å; Q143-L147 PolarHBondContact O-N 3.02Å |
| 144 | L | 52.1 | Low | 51.7 | Low | 133 Ų | 133 | 120 Ų | 120 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.5 | -38.2 | 178.6 | -150.6 | 79.6 | 0 | 0 | 0 | 112 | G142 S148 | G142-L144 VanDerWaalsContact C-N 3.34Å; G142-L144 PolarHBondContact O-N 3Å; L144-S148 VanDerWaalsContact O-CB 3.29Å; L144-S148 WeakPolarHBondContact O-CB 3.4Å; L144-S148 PolarHBondContact O-N 2.9Å |
| 145 | Q | 58.5 | Low | 52.7 | Low | 142 Ų | 142 | 118.7 Ų | 118.7 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.8 | -43.5 | 173.7 | -72.6 | -88.7 | -35.8 | 0 | 0 | 111.1 | K141 G142 S148 Q149 | K141-Q145 WeakPolarHBondContact O-CG 3.33Å; K141-Q145 PolarHBondContact O-N 3.48Å; G142-Q145 PolarHBondContact O-N 3.43Å; Q145-S148 PolarHBondContact O-N 2.99Å; Q145-Q149 PolarHBondContact O-N 2.9Å |
| 146 | T | 57.1 | Low | 54.3 | Low | 89 Ų | 89 | 115.2 Ų | 115.2 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.7 | -41.6 | 178.8 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | G142 Q143 Q149 K150 | G142-T146 PolarHBondContact O-N 3.31Å; G142-T146 PolarHBondContact O-OG1 3.3Å; Q143-T146 PolarHBondContact O-N 3.36Å; T146-Q149 PolarHBondContact O-N 2.91Å; T146-K150 WeakPolarHBondContact O-CB 3.39Å; T146-K150 PolarHBondContact O-N 3.42Å |
| 147 | L | 57.1 | Low | 56 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.1 | -39.8 | 176 | -80.6 | 172.5 | 0 | 0 | 0 | 112.3 | Q143 Q149 K150 C151 | Q143-L147 VanDerWaalsContact NE2-CD1 3.33Å; Q143-L147 WeakPolarHBondContact O-CB 3.36Å; Q143-L147 WeakPolarHBondContact O-CG 3.29Å; Q143-L147 PolarHBondContact O-N 3.02Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 3.49Å; L147-K150 PolarHBondContact O-N 2.92Å; L147-C151 WeakPolarHBondContact O-CB 3.43Å; L147-C151 PolarHBondContact O-N 3.28Å |
| 148 | S | 58.2 | Low | 57.4 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -42.6 | 175.3 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | L144 Q145 K152 | L144-S148 VanDerWaalsContact O-CB 3.29Å; L144-S148 WeakPolarHBondContact O-CB 3.4Å; L144-S148 PolarHBondContact O-N 2.9Å; Q145-S148 PolarHBondContact O-N 2.99Å; S148-K152 WeakPolarHBondContact O-CB 3.39Å; S148-K152 PolarHBondContact O-N 3.25Å |
| 149 | Q | 68.8 | Low | 58.4 | Low | 120 Ų | 120 | 113.1 Ų | 113.1 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.7 | -38.2 | 174.4 | -85.3 | -170.4 | -17.7 | 0 | 0 | 113.2 | Q145 T146 L147 K152 R153 | Q145-Q149 PolarHBondContact O-N 2.9Å; T146-Q149 PolarHBondContact O-N 2.91Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 3.49Å; Q149-K152 PolarHBondContact O-N 3.4Å; Q149-R153 WeakPolarHBondContact O-CG 3.35Å; Q149-R153 PolarHBondContact O-N 3.22Å |
| 150 | K | 66.8 | Low | 59.3 | Low | 129 Ų | 129 | 109.3 Ų | 109.3 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66 | -45.7 | 179 | -147.4 | -179 | -175.2 | -167.6 | 0 | 111.2 | T146 L147 K152 R153 E154 | T146-K150 WeakPolarHBondContact O-CB 3.39Å; T146-K150 PolarHBondContact O-N 3.42Å; L147-K150 PolarHBondContact O-N 2.92Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.39Å; K150-R153 PolarHBondContact O-N 2.94Å; K150-E154 PolarHBondContact O-N 3.19Å |
| 151 | C | 59.8 | Low | 60.3 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.4 | -40.9 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | L147 R153 E154 A155 | L147-C151 WeakPolarHBondContact O-CB 3.43Å; L147-C151 PolarHBondContact O-N 3.28Å; C151-R153 PolarHBondContact O-N 3.39Å; C151-E154 PolarHBondContact O-N 2.99Å; C151-A155 WeakPolarHBondContact O-CB 3.37Å; C151-A155 PolarHBondContact O-N 3.44Å |
| 152 | K | 63.4 | Low | 60.6 | Low | 162 Ų | 162 | 117.4 Ų | 117.4 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -35.6 | 177.1 | -144.8 | 174.2 | -168.4 | -177.1 | 0 | 112.9 | S148 Q149 K150 S156 | S148-K152 WeakPolarHBondContact O-CB 3.39Å; S148-K152 PolarHBondContact O-N 3.25Å; Q149-K152 PolarHBondContact O-N 3.4Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.39Å; K152-S156 PolarHBondContact O-N 2.94Å; K152-S156 PolarHBondContact O-OG 3.38Å |
| 153 | R | 72.7 | Confident | 60.8 | Low | 176 Ų | 176 | 122.7 Ų | 122.7 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.1 | -39.8 | 175.7 | -77.4 | -178.6 | 178.6 | -170 | 0.5 | 112.4 | Q149 K150 C151 S156 R157 | Q149-R153 WeakPolarHBondContact O-CG 3.35Å; Q149-R153 PolarHBondContact O-N 3.22Å; K150-R153 PolarHBondContact O-N 2.94Å; C151-R153 PolarHBondContact O-N 3.39Å; R153-S156 PolarHBondContact O-N 3.03Å; R153-R157 PolarHBondContact O-N 3.14Å; R153-R157 VanDerWaalsContact O-N 3.14Å |
| 154 | E | 69 | Low | 60.9 | Low | 115 Ų | 115 | 123 Ų | 123 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.5 | -40.8 | 176.3 | -74.4 | 174 | -173.3 | 0 | 0 | 111.6 | K150 C151 S156 R157 A158 | K150-E154 PolarHBondContact O-N 3.19Å; C151-E154 PolarHBondContact O-N 2.99Å; E154-S156 VanDerWaalsContact C-N 3.32Å; E154-S156 PolarHBondContact O-N 3.41Å; E154-R157 PolarHBondContact O-N 2.99Å; E154-A158 PolarHBondContact O-N 3.07Å |
| 155 | A | 58 | Low | 61.3 | Low | 56 Ų | 56 | 122.5 Ų | 122.5 | 46% | 0.463 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -60.1 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C151 Q159 | C151-A155 WeakPolarHBondContact O-CB 3.37Å; C151-A155 PolarHBondContact O-N 3.44Å; A155-Q159 PolarHBondContact O-N 3.12Å |
| 156 | S | 65.3 | Low | 61.5 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | K152 R153 E154 S160 | K152-S156 PolarHBondContact O-N 2.94Å; K152-S156 PolarHBondContact O-OG 3.38Å; R153-S156 PolarHBondContact O-N 3.03Å; E154-S156 VanDerWaalsContact C-N 3.32Å; E154-S156 PolarHBondContact O-N 3.41Å; S156-S160 PolarHBondContact O-N 3.18Å; S156-S160 VanDerWaalsContact O-N 3.12Å |
| 157 | R | 69.8 | Low | 61.7 | Low | 183 Ų | 183 | 123.3 Ų | 123.3 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68 | -45.8 | 175.5 | -72.9 | -173.4 | -162.4 | -175.5 | 3.4 | 111.9 | R153 E154 Q159 S160 E161 | R153-R157 PolarHBondContact O-N 3.14Å; R153-R157 VanDerWaalsContact O-N 3.14Å; E154-R157 PolarHBondContact O-N 2.99Å; R157-Q159 PolarHBondContact O-N 3.48Å; R157-S160 PolarHBondContact O-N 3.04Å; R157-S160 VanDerWaalsContact O-N 3.07Å; R157-E161 PolarHBondContact O-N 3.19Å |
| 158 | A | 62.7 | Low | 62 | Low | 54 Ų | 54 | 125.1 Ų | 125.1 | 45% | 0.446 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.7 | -29.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | E154 | E154-A158 PolarHBondContact O-N 3.07Å |
| 159 | Q | 60.1 | Low | 62.2 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.2 | -33.5 | 174.9 | -138.1 | 174.5 | -73.5 | 0 | 0 | 112.3 | A155 R157 R162 L163 | A155-Q159 PolarHBondContact O-N 3.12Å; R157-Q159 PolarHBondContact O-N 3.48Å; Q159-R162 PolarHBondContact O-N 3.26Å; Q159-L163 WeakPolarHBondContact O-CD1 3.46Å |
| 160 | S | 57.8 | Low | 61.8 | Low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.3 | -34.3 | 175.7 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | S156 R157 R162 | S156-S160 PolarHBondContact O-N 3.18Å; S156-S160 VanDerWaalsContact O-N 3.12Å; R157-S160 PolarHBondContact O-N 3.04Å; R157-S160 VanDerWaalsContact O-N 3.07Å; S160-R162 VanDerWaalsContact C-N 3.3Å |
| 161 | E | 63.8 | Low | 61.5 | Low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -16.2 | 176 | -71.6 | 177.6 | 131.4 | 0 | 0 | 113.4 | R157 | R157-E161 PolarHBondContact O-N 3.19Š|
| 162 | R | 51.8 | Low | 61.6 | Low | 228 Ų | 228 | 131.5 Ų | 131.5 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -10.9 | 175.1 | -82.2 | -171.1 | 178.8 | -141.7 | 1.8 | 114.3 | Q159 S160 | Q159-R162 PolarHBondContact O-N 3.26Å; S160-R162 VanDerWaalsContact C-N 3.3Å |
| 163 | L | 55 | Low | 61.4 | Low | 152 Ų | 152 | 129 Ų | 129 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | -112 | -2.7 | -175.7 | -98.3 | 115.5 | 0 | 0 | 0 | 114.2 | Q159 | Q159-L163 WeakPolarHBondContact O-CD1 3.46Š| ||
| 164 | G | 51.3 | Low | 60.4 | Low | 124 Ų | 124 | 124.7 Ų | 124.7 | 100% | 1.278 | 69% | 0.692 | S | S | * | * | trans | -106.9 | 0 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 164 of 164 residues in 82.7 ms
(Link to these results)