| 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 | 61.3 | Low | 85.7 | Confident | 197 Ų | 197 | 64.3 Ų | 64.3 | 97% | 0.97 | 36% | 0.363 | S | S | * | . | 0 | -60.4 | 0 | -68.5 | -64.5 | -149.5 | 0 | 0 | 111.3 | T3 T4 V5 | M1-T3 PolarHBondContact O-N 2.98Å; M1-T4 PolarHBondContact O-N 2.83Å; M1-V5 WeakPolarHBondContact O-CG2 3.06Å; M1-V5 PolarHBondContact O-N 3.19Å | |||
| 2 | S | 77.1 | Confident | 86.5 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.9 | -36.1 | -174 | -44.5 | 0 | 0 | 0 | 0 | 115.3 | V5 C6 | S2-V5 PolarHBondContact O-N 3.21Å; S2-C6 WeakPolarHBondContact O-CB 3.38Å; S2-C6 PolarHBondContact O-N 3.19Å |
| 3 | T | 80.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 179.2 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | M1 V5 C6 Q7 | M1-T3 PolarHBondContact O-N 2.98Å; T3-V5 VanDerWaalsContact C-N 3.35Å; T3-V5 PolarHBondContact O-N 3.33Å; T3-C6 PolarHBondContact O-N 3.14Å; T3-Q7 WeakPolarHBondContact O-CB 3.35Å; T3-Q7 PolarHBondContact O-N 3.31Å |
| 4 | T | 83.6 | Confident | 88 | Confident | 45 Ų | 45 | 58 Ų | 58 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.9 | -40.9 | 0 | 0 | 0 | 0 | 111.7 | M1 Q7 V8 | M1-T4 PolarHBondContact O-N 2.83Å; T4-Q7 PolarHBondContact O-N 3.12Å; T4-V8 WeakPolarHBondContact O-CG2 3.01Å; T4-V8 PolarHBondContact O-N 3.25Å |
| 5 | V | 87.3 | Confident | 88.5 | Confident | 91 Ų | 91 | 56.5 Ų | 56.5 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | M1 S2 T3 Q7 V8 M9 | M1-V5 WeakPolarHBondContact O-CG2 3.06Å; M1-V5 PolarHBondContact O-N 3.19Å; S2-V5 PolarHBondContact O-N 3.21Å; T3-V5 VanDerWaalsContact C-N 3.35Å; T3-V5 PolarHBondContact O-N 3.33Å; V5-Q7 VanDerWaalsContact C-N 3.31Å; V5-Q7 PolarHBondContact O-N 3.38Å; V5-V8 PolarHBondContact O-N 3.32Å; V5-M9 HydrophobicContact CG1-CG 4.17Å; V5-M9 WeakPolarHBondContact O-CB 3.46Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.32Å; V5-M9 PolarHBondContact O-N 2.88Å |
| 6 | C | 88.9 | Confident | 89.1 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 176.6 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | S2 T3 G10 M187 A191 | S2-C6 WeakPolarHBondContact O-CB 3.38Å; S2-C6 PolarHBondContact O-N 3.19Å; T3-C6 PolarHBondContact O-N 3.14Å; C6-G10 PolarHBondContact O-N 2.84Å; C6-M187 PolarHBondContact SG-O 3.02Å; C6-M187 VanDerWaalsContact SG-O 3.41Å; C6-A191 HydrophobicContact CB-CB 4.18Å |
| 7 | Q | 90.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 175.9 | -168.6 | -177 | 9.8 | 0 | 0 | 111.8 | T3 T4 V5 G10 F11 A100 L101 T118 M188 A191 | T3-Q7 WeakPolarHBondContact O-CB 3.35Å; T3-Q7 PolarHBondContact O-N 3.31Å; T4-Q7 PolarHBondContact O-N 3.12Å; V5-Q7 VanDerWaalsContact C-N 3.31Å; V5-Q7 PolarHBondContact O-N 3.38Å; Q7-G10 PolarHBondContact O-N 3.01Å; Q7-F11 PolarHBondContact O-N 3.16Å; Q7-A100 PolarHBondContact NE2-O 2.86Å; Q7-L101 HydrophobicContact CG-CD2 4.22Å; Q7-T118 HydrophobicContact CG-CG2 4.19Å; Q7-T118 PolarHBondContact NE2-OG1 3.3Å; Q7-T118 VanDerWaalsContact NE2-OG1 3.13Å; Q7-M188 HydrophobicContact CG-CE 4.06Å; Q7-M188 HydrophobicContact CG-SD 4.16Å; Q7-M188 WeakPolarHBondContact O-CE 3.42Å; Q7-A191 HydrophobicContact CB-CB 4.02Å |
| 8 | V | 91.3 | Very high | 90 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | -179.7 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | T4 V5 F11 I12 | T4-V8 WeakPolarHBondContact O-CG2 3.01Å; T4-V8 PolarHBondContact O-N 3.25Å; V5-V8 PolarHBondContact O-N 3.32Å; V8-F11 WeakPolarHBondContact O-CB 3.46Å; V8-F11 PolarHBondContact O-N 3.42Å; V8-I12 HydrophobicContact CG1-CD1 3.97Å; V8-I12 WeakPolarHBondContact O-CG1 3.3Å; V8-I12 PolarHBondContact O-N 3.32Å |
| 9 | M | 93.3 | Very high | 90.3 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 47% | 0.473 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 175.8 | -71.3 | -67 | -69.7 | 0 | 0 | 111.3 | V5 F11 I12 V13 M187 | V5-M9 HydrophobicContact CG1-CG 4.17Å; V5-M9 WeakPolarHBondContact O-CB 3.46Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.32Å; V5-M9 PolarHBondContact O-N 2.88Å; M9-F11 VanDerWaalsContact C-N 3.28Å; M9-F11 PolarHBondContact O-N 2.95Å; M9-I12 PolarHBondContact O-N 3.38Å; M9-V13 WeakPolarHBondContact O-CB 3.04Å; M9-V13 VanDerWaalsContact O-CG2 3.25Å; M9-V13 WeakPolarHBondContact O-CG2 3.49Å; M9-V13 PolarHBondContact O-N 2.79Å; M9-M187 HydrophobicContact CB-CE 3.62Å |
| 10 | G | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | C6 Q7 V13 S14 | C6-G10 PolarHBondContact O-N 2.84Å; Q7-G10 PolarHBondContact O-N 3.01Å; G10-V13 PolarHBondContact O-N 3.24Å; G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.46Å; G10-S14 PolarHBondContact O-N 3.1Å; G10-S14 PolarHBondContact O-OG 2.94Å |
| 11 | F | 94.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 20% | 0.197 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 177.5 | 174.2 | -107.2 | 0 | 0 | 0 | 111.6 | Q7 V8 M9 S14 S15 L94 C97 I98 L101 M188 | Q7-F11 PolarHBondContact O-N 3.16Å; V8-F11 WeakPolarHBondContact O-CB 3.46Å; V8-F11 PolarHBondContact O-N 3.42Å; M9-F11 VanDerWaalsContact C-N 3.28Å; M9-F11 PolarHBondContact O-N 2.95Å; F11-S14 PolarHBondContact O-N 3.16Å; F11-S15 VanDerWaalsContact O-CB 3.29Å; F11-S15 WeakPolarHBondContact O-CB 3.24Å; F11-S15 PolarHBondContact O-N 3.33Å; F11-S15 PolarHBondContact O-OG 3.31Å; F11-L94 HydrophobicContact CD2-CD2 4.24Å; F11-L94 HydrophobicContact CE2-CD2 3.78Å; F11-C97 HydrophobicContact CD2-CB 4.09Å; F11-C97 VanDerWaalsContact CD2-SG 3.59Å; F11-C97 HydrophobicContact CE2-CB 4.43Å; F11-I98 HydrophobicContact CE2-CG1 3.87Å; F11-I98 HydrophobicContact CZ-CG1 3.94Å; F11-L101 HydrophobicContact CD1-CD1 4.4Å; F11-L101 HydrophobicContact CE1-CD1 4.49Å; F11-L101 HydrophobicContact CG-CD1 4.45Å; F11-M188 VanDerWaalsContact CA-CE 3.46Å; F11-M188 HydrophobicContact CB-CE 3.48Å; F11-M188 VanDerWaalsContact CB-CE 3.48Å |
| 12 | I | 96 | Very high | 92.5 | Very high | 77 Ų | 77 | 43 Ų | 43 | 40% | 0.395 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 179.4 | -66.1 | 167.9 | 0 | 0 | 0 | 109.7 | V8 M9 S14 S15 L16 | V8-I12 HydrophobicContact CG1-CD1 3.97Å; V8-I12 WeakPolarHBondContact O-CG1 3.3Å; V8-I12 PolarHBondContact O-N 3.32Å; M9-I12 PolarHBondContact O-N 3.38Å; I12-S14 PolarHBondContact O-N 3.24Å; I12-S15 PolarHBondContact O-N 3.44Å; I12-S15 PolarHBondContact O-OG 2.9Å; I12-L16 HydrophobicContact CG2-CD1 4.21Å; I12-L16 WeakPolarHBondContact O-CG 3.22Å; I12-L16 PolarHBondContact O-N 2.86Å |
| 13 | V | 97 | Very high | 93.4 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | M9 G10 S15 L16 G17 L180 | M9-V13 WeakPolarHBondContact O-CB 3.04Å; M9-V13 VanDerWaalsContact O-CG2 3.25Å; M9-V13 WeakPolarHBondContact O-CG2 3.49Å; M9-V13 PolarHBondContact O-N 2.79Å; G10-V13 PolarHBondContact O-N 3.24Å; V13-S15 PolarHBondContact O-N 3.17Å; V13-L16 PolarHBondContact O-N 2.84Å; V13-G17 PolarHBondContact O-N 3.47Å; V13-L180 HydrophobicContact CG1-CB 4.3Å; V13-L180 HydrophobicContact CG1-CD2 4.16Å; V13-L180 VanDerWaalsContact CG1-O 3.3Å; V13-L180 WeakPolarHBondContact CG1-O 3.36Å |
| 14 | S | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.5 | -72.5 | 0 | 0 | 0 | 0 | 112.4 | G10 F11 I12 G17 V18 G184 G185 | G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.46Å; G10-S14 PolarHBondContact O-N 3.1Å; G10-S14 PolarHBondContact O-OG 2.94Å; F11-S14 PolarHBondContact O-N 3.16Å; I12-S14 PolarHBondContact O-N 3.24Å; S14-G17 PolarHBondContact O-N 3.48Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.31Å; S14-G184 VanDerWaalsContact OG-CA 3.27Å; S14-G184 WeakPolarHBondContact OG-CA 3.42Å; S14-G185 PolarHBondContact OG-N 3.38Å |
| 15 | S | 96.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.2 | -41 | 177.8 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | F11 I12 V13 G17 V18 A19 | F11-S15 VanDerWaalsContact O-CB 3.29Å; F11-S15 WeakPolarHBondContact O-CB 3.24Å; F11-S15 PolarHBondContact O-N 3.33Å; F11-S15 PolarHBondContact O-OG 3.31Å; I12-S15 PolarHBondContact O-N 3.44Å; I12-S15 PolarHBondContact O-OG 2.9Å; V13-S15 PolarHBondContact O-N 3.17Å; S15-G17 VanDerWaalsContact C-N 3.34Å; S15-V18 PolarHBondContact O-N 3.32Å; S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.47Å |
| 16 | L | 97.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 53% | 0.529 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 172.9 | -69.7 | 172.9 | 0 | 0 | 0 | 111.4 | I12 V13 A19 G20 | I12-L16 HydrophobicContact CG2-CD1 4.21Å; I12-L16 WeakPolarHBondContact O-CG 3.22Å; I12-L16 PolarHBondContact O-N 2.86Å; V13-L16 PolarHBondContact O-N 2.84Å; L16-A19 PolarHBondContact O-N 3.31Å; L16-G20 PolarHBondContact O-N 3.49Å |
| 17 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V13 S14 S15 A19 G20 C21 A177 | V13-G17 PolarHBondContact O-N 3.47Å; S14-G17 PolarHBondContact O-N 3.48Å; S15-G17 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 2.93Å; G17-G20 PolarHBondContact O-N 3.4Å; G17-C21 PolarHBondContact O-N 3.1Å; G17-C21 PolarHBondContact O-SG 3Å; G17-C21 VanDerWaalsContact O-SG 3.32Å; G17-A177 VanDerWaalsContact CA-O 3.3Å; G17-A177 WeakPolarHBondContact CA-O 3.34Å; G17-A177 WeakPolarHBondContact O-CB 3.41Å |
| 18 | V | 97.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 177.9 | 176 | 0 | 0 | 0 | 0 | 111.5 | S14 S15 G20 C21 I22 I91 L94 F125 | S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.31Å; S15-V18 PolarHBondContact O-N 3.32Å; V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 3.25Å; V18-C21 WeakPolarHBondContact O-CB 3.42Å; V18-C21 PolarHBondContact O-N 2.88Å; V18-I22 HydrophobicContact CG1-CD1 4.09Å; V18-I22 WeakPolarHBondContact O-CG1 3.46Å; V18-I22 PolarHBondContact O-N 2.96Å; V18-I91 HydrophobicContact CG1-CG1 4.26Å; V18-L94 HydrophobicContact CB-CD1 3.99Å; V18-L94 HydrophobicContact CG1-CD1 3.94Å; V18-L94 HydrophobicContact CG2-CD1 4.18Å; V18-L94 HydrophobicContact CG2-CG 4.5Å; V18-F125 HydrophobicContact CG2-CD1 4.1Å; V18-F125 HydrophobicContact CG2-CE1 3.8Å |
| 19 | A | 97.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S15 L16 G17 C21 I22 V23 | S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.47Å; L16-A19 PolarHBondContact O-N 3.31Å; G17-A19 PolarHBondContact O-N 2.93Å; A19-C21 VanDerWaalsContact C-N 3.34Å; A19-C21 PolarHBondContact O-N 2.98Å; A19-I22 PolarHBondContact O-N 3.41Å; A19-V23 WeakPolarHBondContact O-CG2 2.93Å; A19-V23 PolarHBondContact O-N 3.47Å |
| 20 | G | 96.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L16 G17 V18 V23 S24 | L16-G20 PolarHBondContact O-N 3.49Å; G17-G20 PolarHBondContact O-N 3.4Å; V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 3.25Å; G20-V23 PolarHBondContact O-N 3.42Å; G20-S24 VanDerWaalsContact O-CB 3.3Å; G20-S24 WeakPolarHBondContact O-CB 3.31Å; G20-S24 PolarHBondContact O-N 3.07Å |
| 21 | C | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.054 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 175.7 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | G17 V18 A19 T25 I87 | G17-C21 PolarHBondContact O-N 3.1Å; G17-C21 PolarHBondContact O-SG 3Å; G17-C21 VanDerWaalsContact O-SG 3.32Å; V18-C21 WeakPolarHBondContact O-CB 3.42Å; V18-C21 PolarHBondContact O-N 2.88Å; A19-C21 VanDerWaalsContact C-N 3.34Å; A19-C21 PolarHBondContact O-N 2.98Å; C21-T25 WeakPolarHBondContact O-CB 3.29Å; C21-T25 PolarHBondContact O-N 3.42Å; C21-T25 PolarHBondContact O-OG1 3.12Å; C21-I87 HydrophobicContact CB-CG1 4.23Å |
| 22 | I | 96.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 175 | -66 | 164.1 | 0 | 0 | 0 | 110 | V18 A19 T25 A26 I87 | V18-I22 HydrophobicContact CG1-CD1 4.09Å; V18-I22 WeakPolarHBondContact O-CG1 3.46Å; V18-I22 PolarHBondContact O-N 2.96Å; A19-I22 PolarHBondContact O-N 3.41Å; I22-T25 PolarHBondContact O-N 2.74Å; I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 3.35Å; I22-I87 HydrophobicContact CD1-CG2 4.32Å; I22-I87 HydrophobicContact CG1-CD1 4.21Å; I22-I87 HydrophobicContact CG1-CG1 4.15Å; I22-I87 HydrophobicContact CG1-CG2 3.78Å |
| 23 | V | 95.8 | Very high | 92.9 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | A19 G20 T25 A26 M27 | A19-V23 WeakPolarHBondContact O-CG2 2.93Å; A19-V23 PolarHBondContact O-N 3.47Å; G20-V23 PolarHBondContact O-N 3.42Å; V23-T25 VanDerWaalsContact C-N 3.27Å; V23-T25 PolarHBondContact O-N 3.39Å; V23-A26 CarbonylContact O-C 3.57Å; V23-A26 PolarHBondContact O-N 2.7Å; V23-A26 VanDerWaalsContact O-N 3.08Å; V23-M27 HydrophobicContact CG1-CG 4.18Å; V23-M27 HydrophobicContact CG1-SD 4.02Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.19Å; V23-M27 PolarHBondContact O-N 3.44Å |
| 24 | S | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -43 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | G20 A26 M27 W30 A170 G174 | G20-S24 VanDerWaalsContact O-CB 3.3Å; G20-S24 WeakPolarHBondContact O-CB 3.31Å; G20-S24 PolarHBondContact O-N 3.07Å; S24-A26 PolarHBondContact O-N 3.32Å; S24-M27 PolarHBondContact O-N 2.84Å; S24-W30 PolarHBondContact O-NE1 3.32Å; S24-A170 PolarHBondContact OG-O 3.5Å; S24-G174 WeakPolarHBondContact OG-CA 3.4Å; S24-G174 PolarHBondContact OG-N 2.97Å |
| 25 | T | 93.1 | Very high | 89.9 | Confident | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -33.7 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | C21 I22 V23 L49 W50 M83 I87 | C21-T25 WeakPolarHBondContact O-CB 3.29Å; C21-T25 PolarHBondContact O-N 3.42Å; C21-T25 PolarHBondContact O-OG1 3.12Å; I22-T25 PolarHBondContact O-N 2.74Å; V23-T25 VanDerWaalsContact C-N 3.27Å; V23-T25 PolarHBondContact O-N 3.39Å; T25-L49 HydrophobicContact CG2-CD2 4.11Å; T25-W50 HydrophobicContact CG2-CZ2 4.04Å; T25-W50 PolarHBondContact O-NE1 3.31Å; T25-M83 HydrophobicContact CG2-CB 4.33Å; T25-M83 WeakPolarHBondContact OG1-CE 3.4Å; T25-I87 HydrophobicContact CG2-CD1 4.12Å; T25-I87 WeakPolarHBondContact OG1-CD1 3.33Å |
| 26 | A | 91.9 | Very high | 87.9 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I22 V23 S24 | I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 3.35Å; V23-A26 CarbonylContact O-C 3.57Å; V23-A26 PolarHBondContact O-N 2.7Å; V23-A26 VanDerWaalsContact O-N 3.08Å; S24-A26 PolarHBondContact O-N 3.32Å |
| 27 | M | 90.8 | Very high | 85.6 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | trans | -66.3 | 139.5 | 178 | -77.8 | 177.3 | 77.4 | 0 | 0 | 111.4 | V23 S24 W30 S169 A170 V173 | V23-M27 HydrophobicContact CG1-CG 4.18Å; V23-M27 HydrophobicContact CG1-SD 4.02Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.19Å; V23-M27 PolarHBondContact O-N 3.44Å; S24-M27 PolarHBondContact O-N 2.84Å; M27-W30 PolarHBondContact O-NE1 3.13Å; M27-S169 VanDerWaalsContact CE-OG 3.29Å; M27-S169 WeakPolarHBondContact CE-OG 3.5Å; M27-A170 HydrophobicContact CB-CB 3.73Å; M27-A170 HydrophobicContact CE-CB 4.38Å; M27-A170 HydrophobicContact SD-CB 4.25Å; M27-V173 HydrophobicContact SD-CG2 4.29Å | ||
| 28 | D | 88.9 | Confident | 83.4 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -90.5 | 0.6 | -180 | -61.3 | -43.2 | 0 | 0 | 0 | 113.2 | Y46 Q47 G48 R51 | D28-Y46 HydrophobicContact CB-CD2 4.35Å; D28-Y46 HydrophobicContact CB-CE2 4.15Å; D28-Y46 WeakPolarHBondContact O-CD2 3.33Å; D28-Q47 CarbonylContact O-C 3.23Å; D28-Q47 VanDerWaalsContact O-O 3.1Å; D28-G48 VanDerWaalsContact C-CA 3.44Å; D28-G48 WeakPolarHBondContact O-CA 3.35Å; D28-G48 PolarHBondContact O-N 2.94Å; D28-R51 HydrophobicContact CB-CG 4.29Å; D28-R51 VanDerWaalsContact CG-CD 3.49Å; D28-R51 VanDerWaalsContact CG-CG 3.48Å; D28-R51 WeakPolarHBondContact OD1-CD 3.42Å; D28-R51 WeakPolarHBondContact OD1-CG 3.48Å; D28-R51 IonicContact OD1-NE 3.58Å; D28-R51 PolarHBondContact OD1-NE 3.5Å; D28-R51 VanDerWaalsContact OD2-CD 3.3Å; D28-R51 WeakPolarHBondContact OD2-CD 3.44Å; D28-R51 IonicContact OD2-NE 3.48Å |
| 29 | M | 88.7 | Confident | 81.3 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | trans | -104.8 | 61.8 | -176.1 | -65.7 | 177.3 | 65.6 | 0 | 0 | 111.8 | T32 Y46 G168 S169 A170 | M29-T32 HydrophobicContact CE-CG2 4.42Å; M29-Y46 HydrophobicContact CG-CD2 3.83Å; M29-Y46 HydrophobicContact CG-CE2 4.3Å; M29-Y46 HydrophobicContact CG-CG 4.3Å; M29-G168 CarbonylContact O-C 3.57Å; M29-G168 VanDerWaalsContact O-C 3.23Å; M29-G168 VanDerWaalsContact O-CA 3.23Å; M29-G168 WeakPolarHBondContact O-CA 3.37Å; M29-S169 PolarHBondContact O-N 2.93Å; M29-A170 WeakPolarHBondContact O-CB 3.43Å; M29-A170 PolarHBondContact O-N 3.16Å | ||
| 30 | W | 91 | Very high | 79.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.8 | -36.8 | 174.9 | -80.8 | 60.3 | 0 | 0 | 0 | 112.1 | S24 M27 Q47 L49 V79 M83 V136 F139 G168 A170 L171 | S24-W30 PolarHBondContact O-NE1 3.32Å; M27-W30 PolarHBondContact O-NE1 3.13Å; W30-Q47 WeakPolarHBondContact CA-O 3.34Å; W30-Q47 WeakPolarHBondContact CB-O 3.31Å; W30-Q47 PolarHBondContact N-O 2.89Å; W30-L49 HydrophobicContact CD2-CB 4.36Å; W30-L49 HydrophobicContact CD2-CD1 4.44Å; W30-L49 HydrophobicContact CE3-CD1 4.26Å; W30-L49 HydrophobicContact CH2-CD2 4.43Å; W30-L49 HydrophobicContact CZ2-CD2 4.21Å; W30-L49 HydrophobicContact CZ3-CD1 4.35Å; W30-V79 HydrophobicContact CH2-CG1 4.37Å; W30-V79 HydrophobicContact CZ3-CG1 3.92Å; W30-M83 HydrophobicContact CH2-CE 3.98Å; W30-M83 HydrophobicContact CH2-CG 3.94Å; W30-M83 HydrophobicContact CH2-SD 4.01Å; W30-M83 HydrophobicContact CZ2-CE 4.15Å; W30-V136 HydrophobicContact CH2-CG2 4.04Å; W30-V136 HydrophobicContact CZ3-CG2 4.36Å; W30-F139 HydrophobicContact CB-CE1 3.77Å; W30-F139 HydrophobicContact CB-CE2 4.49Å; W30-F139 HydrophobicContact CB-CZ 3.72Å; W30-F139 HydrophobicContact CE3-CB 4.24Å; W30-F139 AromaticContact CE3-CD1 3.85Å; W30-F139 HydrophobicContact CE3-CD1 3.85Å; W30-F139 AromaticContact CE3-CD2 3.87Å; W30-F139 HydrophobicContact CE3-CD2 3.87Å; W30-F139 HydrophobicContact CE3-CE1 4.09Å; W30-F139 HydrophobicContact CE3-CE2 4.09Å; W30-F139 AromaticContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CZ 4.21Å; W30-F139 HydrophobicContact CZ3-CB 4.14Å; W30-F139 HydrophobicContact CZ3-CD2 4.32Å; W30-F139 HydrophobicContact CZ3-CG 4.1Å; W30-G168 WeakPolarHBondContact O-CA 3.4Å; W30-G168 PolarHBondContact O-N 3Å; W30-A170 VanDerWaalsContact CD1-CB 3.44Å; W30-A170 HydrophobicContact CD2-CB 4.49Å; W30-A170 HydrophobicContact CG-CB 4.01Å; W30-L171 HydrophobicContact CD2-CD2 4.17Å; W30-L171 HydrophobicContact CE3-CD2 3.46Å; W30-L171 VanDerWaalsContact CE3-CD2 3.46Å; W30-L171 HydrophobicContact CZ3-CD2 3.79Å; W30-L171 VanDerWaalsContact O-CD1 3.27Å; W30-L171 WeakPolarHBondContact O-CD1 3.47Å; W30-L171 WeakPolarHBondContact O-CG 3.25Å |
| 31 | S | 86.7 | Confident | 76.9 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.3 | 169.7 | 75.1 | 0 | 0 | 0 | 0 | 111 | Y46 Q47 T166 | S31-Y46 CarbonylContact O-C 3.55Å; S31-Y46 VanDerWaalsContact O-CA 3.26Å; S31-Y46 WeakPolarHBondContact O-CA 3.48Å; S31-Y46 WeakPolarHBondContact O-CB 3.23Å; S31-Q47 PolarHBondContact N-O 3.31Å; S31-Q47 PolarHBondContact O-N 2.92Å; S31-Q47 WeakPolarHBondContact OG-CB 3.47Å; S31-T166 WeakPolarHBondContact CA-O 3.46Å |
| 32 | T | 85.3 | Confident | 75 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.6 | 179.9 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | M29 Y165 T166 | M29-T32 HydrophobicContact CE-CG2 4.42Å; T32-Y165 CarbonylContact O-C 3Å; T32-Y165 VanDerWaalsContact O-CA 3.3Å; T32-Y165 WeakPolarHBondContact O-CA 3.31Å; T32-T166 PolarHBondContact N-O 2.8Å; T32-T166 PolarHBondContact O-N 3.3Å; T32-T166 PolarHBondContact O-OG1 2.82Å; T32-T166 VanDerWaalsContact O-OG1 3.12Å; T32-T166 PolarHBondContact OG1-OG1 3.3Å |
| 33 | Q | 77.4 | Confident | 73.4 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.8 | 177.6 | -176.6 | 177 | -1.4 | 0 | 0 | 111.4 | Q45 R164 Y165 | Q33-Q45 HydrophobicContact CB-CB 4.04Å; Q33-Q45 WeakPolarHBondContact CB-O 3.46Å; Q33-Q45 PolarHBondContact N-O 3.37Å; Q33-Q45 VanDerWaalsContact OE1-CB 3.27Å; Q33-R164 CarbonylContact C-O 3.5Å; Q33-R164 WeakPolarHBondContact CA-O 3.42Å; Q33-Y165 HydrophobicContact CB-CD1 4.46Å; Q33-Y165 HydrophobicContact CB-CE1 4.34Å |
| 34 | D | 69.4 | Low | 72.3 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | trans | -85.7 | 133.1 | 171.6 | -160 | -4.2 | 0 | 0 | 0 | 110.5 | R164 T166 | D34-R164 HydrophobicContact CB-CB 4.09Å; D34-R164 PolarHBondContact N-O 2.82Å; D34-T166 HydrophobicContact CB-CG2 4.02Å | ||
| 35 | L | 60.8 | Low | 71.7 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | trans | -100 | 23.5 | -166 | -121.9 | 75.7 | 0 | 0 | 0 | 113.3 | D37 F44 | L35-D37 PolarHBondContact O-N 3Å; L35-F44 HydrophobicContact CD2-CE1 4.12Å; L35-F44 HydrophobicContact CD2-CZ 4.35Å | ||
| 36 | Y | 54.7 | Low | 71.3 | Confident | 181 Ų | 181 | 67.5 Ų | 67.5 | 71% | 0.71 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.4 | -165 | -164 | -96.8 | 0 | 0 | 0 | 115.4 | ||
| 37 | D | 49.3 | Very low | 71.1 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 12.9 | -170.2 | -94.4 | -35.5 | 0 | 0 | 0 | 116.2 | L35 M154 | L35-D37 PolarHBondContact O-N 3Å; D37-M154 WeakPolarHBondContact OD2-CE 3.45Å |
| 38 | N | 50.8 | Low | 71 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -139 | 77.9 | 176.3 | -115.8 | -48.7 | 0 | 0 | 0 | 112.5 | V40 I161 | N38-V40 PolarHBondContact O-N 3.38Å; N38-I161 VanDerWaalsContact ND2-CG2 3.3Å; N38-I161 WeakPolarHBondContact ND2-CG2 3.29Å | ||
| 39 | P | 53 | Low | 70.8 | Confident | 121 Ų | 121 | 61.9 Ų | 61.9 | 79% | 0.786 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.6 | 177.8 | 28.1 | -34.2 | 0 | 0 | 0 | 113.6 | T41 | P39-T41 PolarHBondContact O-N 3.24Š|
| 40 | V | 51.1 | Low | 70.8 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 75% | 0.745 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -17.1 | -171 | -176.8 | 0 | 0 | 0 | 0 | 113 | N38 | N38-V40 PolarHBondContact O-N 3.38Š|
| 41 | T | 50.5 | Low | 70.7 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | trans | -137.6 | 102.3 | 173 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | P39 V43 | P39-T41 PolarHBondContact O-N 3.24Å; T41-V43 PolarHBondContact O-N 2.96Å | ||
| 42 | A | 55.3 | Low | 70.7 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -68.3 | 70.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S57 | A42-S57 WeakPolarHBondContact O-CB 3.45Å; A42-S57 PolarHBondContact O-N 2.8Å; A42-S57 VanDerWaalsContact O-N 3.13Å | ||
| 43 | V | 62.4 | Low | 70.8 | Confident | 42 Ų | 42 | 68 Ų | 68 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | trans | -117.8 | 111.4 | -176.6 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | T41 V54 R55 | T41-V43 PolarHBondContact O-N 2.96Å; V43-V54 HydrophobicContact CG1-CG1 3.17Å; V43-R55 CarbonylContact C-O 3.5Å; V43-R55 WeakPolarHBondContact CA-O 3.07Å | ||
| 44 | F | 73.6 | Confident | 71.2 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 107.7 | 179 | -63.5 | -85.8 | 0 | 0 | 0 | 109.4 | L35 R55 | L35-F44 HydrophobicContact CD2-CE1 4.12Å; L35-F44 HydrophobicContact CD2-CZ 4.35Å; F44-R55 HydrophobicContact CB-CB 4.36Å; F44-R55 PolarHBondContact N-O 2.61Å; F44-R55 PolarHBondContact O-N 2.83Å |
| 45 | Q | 80.9 | Confident | 71.9 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.6 | 173.5 | 172.2 | 178.1 | -132.6 | 0 | 0 | 110.2 | Q33 Y165 | Q33-Q45 HydrophobicContact CB-CB 4.04Å; Q33-Q45 WeakPolarHBondContact CB-O 3.46Å; Q33-Q45 PolarHBondContact N-O 3.37Å; Q33-Q45 VanDerWaalsContact OE1-CB 3.27Å; Q45-Y165 VanDerWaalsContact CD-OH 3.29Å; Q45-Y165 HydrophobicContact CG-CE1 4.33Å; Q45-Y165 PolarHBondContact NE2-OH 2.62Å; Q45-Y165 PolarHBondContact OE1-OH 2.86Å |
| 46 | Y | 85.3 | Confident | 72.8 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.6 | 169.1 | 53.6 | -84.3 | 0 | 0 | 0 | 109.8 | D28 M29 S31 C53 R55 T61 | D28-Y46 HydrophobicContact CB-CD2 4.35Å; D28-Y46 HydrophobicContact CB-CE2 4.15Å; D28-Y46 WeakPolarHBondContact O-CD2 3.33Å; M29-Y46 HydrophobicContact CG-CD2 3.83Å; M29-Y46 HydrophobicContact CG-CE2 4.3Å; M29-Y46 HydrophobicContact CG-CG 4.3Å; S31-Y46 CarbonylContact O-C 3.55Å; S31-Y46 VanDerWaalsContact O-CA 3.26Å; S31-Y46 WeakPolarHBondContact O-CA 3.48Å; S31-Y46 WeakPolarHBondContact O-CB 3.23Å; Y46-C53 HydrophobicContact CD1-CB 4.41Å; Y46-C53 HydrophobicContact CD2-CB 3.81Å; Y46-C53 HydrophobicContact CE1-CB 3.89Å; Y46-C53 HydrophobicContact CE2-CB 3.25Å; Y46-C53 HydrophobicContact CG-CB 4.37Å; Y46-C53 PolarHBondContact N-O 3.13Å; Y46-C53 PolarHBondContact O-N 2.91Å; Y46-C53 WeakPolarHBondContact OH-CB 3.3Å; Y46-R55 HydrophobicContact CE1-CB 4.49Å; Y46-T61 WeakPolarHBondContact OH-CG2 3.44Å |
| 47 | Q | 86.6 | Confident | 73.8 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | -178.7 | -53.7 | -176.8 | -1.8 | 0 | 0 | 109.8 | D28 W30 S31 Y165 | D28-Q47 CarbonylContact O-C 3.23Å; D28-Q47 VanDerWaalsContact O-O 3.1Å; W30-Q47 WeakPolarHBondContact CA-O 3.34Å; W30-Q47 WeakPolarHBondContact CB-O 3.31Å; W30-Q47 PolarHBondContact N-O 2.89Å; S31-Q47 PolarHBondContact N-O 3.31Å; S31-Q47 PolarHBondContact O-N 2.92Å; S31-Q47 WeakPolarHBondContact OG-CB 3.47Å; Q47-Y165 HydrophobicContact CG-CE1 3.99Å; Q47-Y165 VanDerWaalsContact NE2-CE1 3.35Å; Q47-Y165 PolarHBondContact NE2-OH 3.41Å |
| 48 | G | 88.3 | Confident | 75 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -96.6 | -179.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D28 W50 R51 Y66 | D28-G48 VanDerWaalsContact C-CA 3.44Å; D28-G48 WeakPolarHBondContact O-CA 3.35Å; D28-G48 PolarHBondContact O-N 2.94Å; G48-W50 VanDerWaalsContact C-N 3.29Å; G48-R51 WeakPolarHBondContact CA-O 3.5Å; G48-R51 PolarHBondContact N-O 3.34Å; G48-Y66 WeakPolarHBondContact O-CE2 3.39Å | ||
| 49 | L | 86.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -71.9 | -27.8 | 173.3 | -158 | 67 | 0 | 0 | 0 | 111.7 | T25 W30 V79 R80 M83 | T25-L49 HydrophobicContact CG2-CD2 4.11Å; W30-L49 HydrophobicContact CD2-CB 4.36Å; W30-L49 HydrophobicContact CD2-CD1 4.44Å; W30-L49 HydrophobicContact CE3-CD1 4.26Å; W30-L49 HydrophobicContact CH2-CD2 4.43Å; W30-L49 HydrophobicContact CZ2-CD2 4.21Å; W30-L49 HydrophobicContact CZ3-CD1 4.35Å; L49-V79 HydrophobicContact CD1-CG1 3.89Å; L49-R80 HydrophobicContact CD1-CG 3.94Å; L49-R80 HydrophobicContact CD2-CB 4.49Å; L49-R80 HydrophobicContact CD2-CG 3.8Å; L49-R80 HydrophobicContact CG-CG 3.58Å; L49-R80 PolarHBondContact O-NE 3.3Å; L49-R80 PolarHBondContact O-NH2 3.25Å; L49-M83 HydrophobicContact CD2-CG 4.36Å |
| 50 | W | 88.1 | Confident | 77.6 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -114.9 | -25.8 | -171.3 | -55.1 | 100.5 | 0 | 0 | 0 | 115.2 | T25 G48 Y66 I84 | T25-W50 HydrophobicContact CG2-CZ2 4.04Å; T25-W50 PolarHBondContact O-NE1 3.31Å; G48-W50 VanDerWaalsContact C-N 3.29Å; W50-Y66 WeakPolarHBondContact O-CD2 3.44Å; W50-Y66 PolarHBondContact O-N 2.9Å; W50-I84 HydrophobicContact CH2-CD1 3.75Å; W50-I84 HydrophobicContact CH2-CG1 4.25Å; W50-I84 HydrophobicContact CZ2-CD1 4.36Å; W50-I84 HydrophobicContact CZ2-CG1 4.39Å |
| 51 | R | 88.1 | Confident | 79.2 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154 | -178.7 | 63.3 | -174.7 | 88.2 | -163.8 | -4.8 | 109.9 | D28 G48 R64 Y66 | D28-R51 HydrophobicContact CB-CG 4.29Å; D28-R51 VanDerWaalsContact CG-CD 3.49Å; D28-R51 VanDerWaalsContact CG-CG 3.48Å; D28-R51 WeakPolarHBondContact OD1-CD 3.42Å; D28-R51 WeakPolarHBondContact OD1-CG 3.48Å; D28-R51 IonicContact OD1-NE 3.58Å; D28-R51 PolarHBondContact OD1-NE 3.5Å; D28-R51 VanDerWaalsContact OD2-CD 3.3Å; D28-R51 WeakPolarHBondContact OD2-CD 3.44Å; D28-R51 IonicContact OD2-NE 3.48Å; G48-R51 WeakPolarHBondContact CA-O 3.5Å; G48-R51 PolarHBondContact N-O 3.34Å; R51-R64 CarbonylContact C-O 3.59Å; R51-R64 VanDerWaalsContact CA-O 3.3Å; R51-R64 WeakPolarHBondContact CA-O 3.3Å; R51-R64 WeakPolarHBondContact CB-O 3.34Å; R51-Y66 VanDerWaalsContact C-CE2 3.47Å |
| 52 | S | 87.6 | Confident | 80.9 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.9 | 164 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | C63 R64 | S52-C63 CarbonylContact O-C 3.54Å; S52-C63 WeakPolarHBondContact O-CA 3.39Å; S52-R64 PolarHBondContact N-O 2.85Å; S52-R64 PolarHBondContact O-N 3.02Å |
| 53 | C | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.2 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | Y46 E62 C63 | Y46-C53 HydrophobicContact CD1-CB 4.41Å; Y46-C53 HydrophobicContact CD2-CB 3.81Å; Y46-C53 HydrophobicContact CE1-CB 3.89Å; Y46-C53 HydrophobicContact CE2-CB 3.25Å; Y46-C53 HydrophobicContact CG-CB 4.37Å; Y46-C53 PolarHBondContact N-O 3.13Å; Y46-C53 PolarHBondContact O-N 2.91Å; Y46-C53 WeakPolarHBondContact OH-CB 3.3Å; C53-E62 WeakPolarHBondContact CA-O 3.25Å; C53-C63 HydrophobicContact CB-CB 4.15Å; C53-C63 WeakPolarHBondContact CB-SG 3.41Å; C53-C63 WeakPolarHBondContact SG-CB 3.4Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.43Å |
| 54 | V | 86.4 | Confident | 83.7 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123.5 | -179.6 | -179 | 0 | 0 | 0 | 0 | 107.8 | V43 E62 | V43-V54 HydrophobicContact CG1-CG1 3.17Å; V54-E62 PolarHBondContact N-O 3.18Å; V54-E62 PolarHBondContact O-N 2.95Å |
| 55 | R | 82.8 | Confident | 84.3 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.6 | 176.3 | -168 | 157.7 | -170.2 | -175.7 | -1 | 110.1 | V43 F44 Y46 G59 F60 T61 | V43-R55 CarbonylContact C-O 3.5Å; V43-R55 WeakPolarHBondContact CA-O 3.07Å; F44-R55 HydrophobicContact CB-CB 4.36Å; F44-R55 PolarHBondContact N-O 2.61Å; F44-R55 PolarHBondContact O-N 2.83Å; Y46-R55 HydrophobicContact CE1-CB 4.49Å; R55-G59 PolarHBondContact NE-O 2.85Å; R55-F60 WeakPolarHBondContact CA-O 3.37Å; R55-T61 WeakPolarHBondContact CD-OG1 3.27Å; R55-T61 PolarHBondContact NE-OG1 3.28Å |
| 56 | Q | 80.7 | Confident | 84.3 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -80.9 | 158.4 | 177.9 | -61.7 | -179.9 | 12.6 | 0 | 0 | 110.5 | S58 G59 F60 | Q56-S58 WeakPolarHBondContact CB-OG 3.44Å; Q56-S58 PolarHBondContact O-N 2.89Å; Q56-G59 PolarHBondContact O-N 2.98Å; Q56-F60 PolarHBondContact N-O 3.46Å | ||
| 57 | S | 74.4 | Confident | 83.4 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.9 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | A42 G59 | A42-S57 WeakPolarHBondContact O-CB 3.45Å; A42-S57 PolarHBondContact O-N 2.8Å; A42-S57 VanDerWaalsContact O-N 3.13Å; S57-G59 PolarHBondContact O-N 2.75Å |
| 58 | S | 76.3 | Confident | 82.1 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5.6 | 171.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | Q56 F60 | Q56-S58 WeakPolarHBondContact CB-OG 3.44Å; Q56-S58 PolarHBondContact O-N 2.89Å; S58-F60 VanDerWaalsContact C-N 3.35Å |
| 59 | G | 75.3 | Confident | 80.6 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 91.5 | -13.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R55 Q56 S57 | R55-G59 PolarHBondContact NE-O 2.85Å; Q56-G59 PolarHBondContact O-N 2.98Å; S57-G59 PolarHBondContact O-N 2.75Å |
| 60 | F | 81.8 | Confident | 79 | Confident | 141 Ų | 141 | 89.6 Ų | 89.6 | 62% | 0.618 | 45% | 0.452 | S | S | * | . | trans | -66.9 | 136.2 | 176.5 | -68.5 | -75 | 0 | 0 | 0 | 111.4 | R55 Q56 S58 | R55-F60 WeakPolarHBondContact CA-O 3.37Å; Q56-F60 PolarHBondContact N-O 3.46Å; S58-F60 VanDerWaalsContact C-N 3.35Å | ||
| 61 | T | 85.1 | Confident | 77.4 | Confident | 55 Ų | 55 | 87.9 Ų | 87.9 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.2 | 179.7 | -56 | 0 | 0 | 0 | 0 | 109 | Y46 R55 | Y46-T61 WeakPolarHBondContact OH-CG2 3.44Å; R55-T61 WeakPolarHBondContact CD-OG1 3.27Å; R55-T61 PolarHBondContact NE-OG1 3.28Å |
| 62 | E | 86.8 | Confident | 76.3 | Confident | 100 Ų | 100 | 84 Ų | 84 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.3 | 178.7 | -69.8 | -64.4 | 142.3 | 0 | 0 | 109 | C53 V54 | C53-E62 WeakPolarHBondContact CA-O 3.25Å; V54-E62 PolarHBondContact N-O 3.18Å; V54-E62 PolarHBondContact O-N 2.95Å |
| 63 | C | 88.9 | Confident | 75.7 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 32% | 0.324 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | 178.8 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | S52 C53 | S52-C63 CarbonylContact O-C 3.54Å; S52-C63 WeakPolarHBondContact O-CA 3.39Å; C53-C63 HydrophobicContact CB-CB 4.15Å; C53-C63 WeakPolarHBondContact CB-SG 3.41Å; C53-C63 WeakPolarHBondContact SG-CB 3.4Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.43Å |
| 64 | R | 87.5 | Confident | 75.2 | Confident | 170 Ų | 170 | 89.6 Ų | 89.6 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.6 | 178.8 | -66.1 | -65.8 | -174.4 | -179.9 | -2.4 | 110.3 | R51 S52 | R51-R64 CarbonylContact C-O 3.59Å; R51-R64 VanDerWaalsContact CA-O 3.3Å; R51-R64 WeakPolarHBondContact CA-O 3.3Å; R51-R64 WeakPolarHBondContact CB-O 3.34Å; S52-R64 PolarHBondContact N-O 2.85Å; S52-R64 PolarHBondContact O-N 3.02Å |
| 65 | P | 86.2 | Confident | 74.9 | Confident | 61 Ų | 61 | 92.6 Ų | 92.6 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 150.4 | 173.5 | -16.5 | 27.8 | 0 | 0 | 0 | 112.1 | F67 | P65-F67 HydrophobicContact CB-CD1 4.4Å; P65-F67 HydrophobicContact CB-CD2 4.3Å; P65-F67 HydrophobicContact CB-CE1 3.96Å; P65-F67 HydrophobicContact CB-CE2 3.85Å; P65-F67 HydrophobicContact CB-CZ 3.68Å; P65-F67 HydrophobicContact CG-CE1 4.03Å; P65-F67 HydrophobicContact CG-CE2 3.82Å; P65-F67 HydrophobicContact CG-CZ 3.42Å; P65-F67 VanDerWaalsContact CG-CZ 3.42Å; P65-F67 WeakPolarHBondContact O-CD2 3.47Å; P65-F67 WeakPolarHBondContact O-CE2 3.28Å; P65-F67 PolarHBondContact O-N 3.37Å |
| 66 | Y | 81.6 | Confident | 74.9 | Confident | 56 Ų | 56 | 87 Ų | 87 | 22% | 0.22 | 49% | 0.487 | C | S | . | . | trans | -79.6 | 95.9 | 168.6 | -63.9 | -67.2 | 0 | 0 | 0 | 109.9 | G48 W50 R51 L72 R80 | G48-Y66 WeakPolarHBondContact O-CE2 3.39Å; W50-Y66 WeakPolarHBondContact O-CD2 3.44Å; W50-Y66 PolarHBondContact O-N 2.9Å; R51-Y66 VanDerWaalsContact C-CE2 3.47Å; Y66-L72 HydrophobicContact CD1-CD1 4.11Å; Y66-L72 HydrophobicContact CE1-CD1 4.35Å; Y66-L72 HydrophobicContact CG-CD1 4.49Å; Y66-R80 VanDerWaalsContact CD2-NH2 3.27Å | ||
| 67 | F | 66.1 | Low | 75.2 | Confident | 167 Ų | 167 | 87.1 Ų | 87.1 | 73% | 0.732 | 49% | 0.488 | S | S | * | . | trans | -80.7 | -22.1 | -176.1 | -65.1 | -76.7 | 0 | 0 | 0 | 114.7 | P65 | P65-F67 HydrophobicContact CB-CD1 4.4Å; P65-F67 HydrophobicContact CB-CD2 4.3Å; P65-F67 HydrophobicContact CB-CE1 3.96Å; P65-F67 HydrophobicContact CB-CE2 3.85Å; P65-F67 HydrophobicContact CB-CZ 3.68Å; P65-F67 HydrophobicContact CG-CE1 4.03Å; P65-F67 HydrophobicContact CG-CE2 3.82Å; P65-F67 HydrophobicContact CG-CZ 3.42Å; P65-F67 VanDerWaalsContact CG-CZ 3.42Å; P65-F67 WeakPolarHBondContact O-CD2 3.47Å; P65-F67 WeakPolarHBondContact O-CE2 3.28Å; P65-F67 PolarHBondContact O-N 3.37Å | ||
| 68 | T | 58.3 | Low | 75.9 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | trans | -108.9 | 114.4 | -170.3 | -36.7 | 0 | 0 | 0 | 0 | 111.4 | L70 | T68-L70 HydrophobicContact CG2-CB 4.4Š| ||
| 69 | I | 56.3 | Low | 76.6 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -71.6 | -34.3 | 173.8 | -57.7 | -173.7 | 0 | 0 | 0 | 110.9 | G71 | I69-G71 VanDerWaalsContact C-N 3.32Å; I69-G71 PolarHBondContact O-N 2.85Å |
| 70 | L | 53.4 | Low | 77.4 | Confident | 172 Ų | 172 | 81.2 Ų | 81.2 | 90% | 0.901 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16.6 | -179.7 | -86.9 | 76 | 0 | 0 | 0 | 114.6 | T68 | T68-L70 HydrophobicContact CG2-CB 4.4Š|
| 71 | G | 53.8 | Low | 77.9 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 67% | 0.67 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -5.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | I69 | I69-G71 VanDerWaalsContact C-N 3.32Å; I69-G71 PolarHBondContact O-N 2.85Å |
| 72 | L | 65.9 | Low | 78.3 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -99.5 | 139.9 | -175 | -159.9 | 68.5 | 0 | 0 | 0 | 110.1 | Y66 A74 F76 | Y66-L72 HydrophobicContact CD1-CD1 4.11Å; Y66-L72 HydrophobicContact CE1-CD1 4.35Å; Y66-L72 HydrophobicContact CG-CD1 4.49Å; L72-A74 PolarHBondContact O-N 3.29Å; L72-F76 HydrophobicContact CD2-CB 3.88Å; L72-F76 HydrophobicContact CD2-CD1 4.15Å; L72-F76 HydrophobicContact CD2-CG 4.31Å; L72-F76 HydrophobicContact CG-CB 3.92Å; L72-F76 HydrophobicContact CG-CG 4.32Å |
| 73 | P | 75.3 | Confident | 78.7 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | trans | -52.7 | 133.7 | 179.3 | -27.6 | 34.7 | 0 | 0 | 0 | 112 | M75 F76 M142 | P73-M75 PolarHBondContact O-N 2.97Å; P73-F76 VanDerWaalsContact O-CB 3.29Å; P73-F76 WeakPolarHBondContact O-CB 3.33Å; P73-F76 PolarHBondContact O-N 3.4Å; P73-M142 HydrophobicContact CB-CE 4.37Å; P73-M142 HydrophobicContact CG-CE 4.26Å | ||
| 74 | A | 77.4 | Confident | 79 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 65% | 0.653 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -52.9 | -33.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L72 F76 Q77 A78 | L72-A74 PolarHBondContact O-N 3.29Å; A74-F76 VanDerWaalsContact C-N 3.33Å; A74-F76 PolarHBondContact O-N 3.36Å; A74-Q77 PolarHBondContact O-N 3.01Å; A74-A78 PolarHBondContact O-N 2.91Å |
| 75 | M | 79 | Confident | 79.4 | Confident | 108 Ų | 108 | 69 Ų | 69 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 175.8 | -61.6 | -64.9 | -83.1 | 0 | 0 | 112.8 | P73 Q77 A78 V79 V138 M142 | P73-M75 PolarHBondContact O-N 2.97Å; M75-Q77 VanDerWaalsContact C-N 3.33Å; M75-Q77 PolarHBondContact O-N 3.42Å; M75-A78 PolarHBondContact O-N 3.39Å; M75-V79 WeakPolarHBondContact O-CG2 3.37Å; M75-V79 PolarHBondContact O-N 3.24Å; M75-V138 HydrophobicContact CE-CG1 3.79Å; M75-M142 HydrophobicContact CB-SD 4.42Å |
| 76 | F | 83.1 | Confident | 79.8 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 4% | 0.044 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.2 | -111.6 | -98.6 | 0 | 0 | 0 | 111.6 | L72 P73 A74 V79 R80 F139 M142 | L72-F76 HydrophobicContact CD2-CB 3.88Å; L72-F76 HydrophobicContact CD2-CD1 4.15Å; L72-F76 HydrophobicContact CD2-CG 4.31Å; L72-F76 HydrophobicContact CG-CB 3.92Å; L72-F76 HydrophobicContact CG-CG 4.32Å; P73-F76 VanDerWaalsContact O-CB 3.29Å; P73-F76 WeakPolarHBondContact O-CB 3.33Å; P73-F76 PolarHBondContact O-N 3.4Å; A74-F76 VanDerWaalsContact C-N 3.33Å; A74-F76 PolarHBondContact O-N 3.36Å; F76-V79 PolarHBondContact O-N 2.93Å; F76-R80 PolarHBondContact O-N 3.49Å; F76-F139 HydrophobicContact CD1-CE2 4.18Å; F76-F139 HydrophobicContact CD2-CE2 4.39Å; F76-F139 AromaticContact CE1-CE2 3.51Å; F76-F139 HydrophobicContact CE1-CE2 3.51Å; F76-F139 HydrophobicContact CE1-CZ 4.22Å; F76-F139 HydrophobicContact CE2-CD2 4.45Å; F76-F139 AromaticContact CE2-CE2 3.73Å; F76-F139 HydrophobicContact CE2-CE2 3.73Å; F76-F139 HydrophobicContact CE2-CZ 4.35Å; F76-F139 HydrophobicContact CZ-CD2 4.32Å; F76-F139 AromaticContact CZ-CE2 3.26Å; F76-F139 HydrophobicContact CZ-CE2 3.26Å; F76-F139 AromaticContact CZ-CZ 3.72Å; F76-F139 HydrophobicContact CZ-CZ 3.72Å; F76-M142 HydrophobicContact CD2-CE 3.81Å; F76-M142 HydrophobicContact CD2-SD 3.77Å; F76-M142 HydrophobicContact CE2-CE 3.73Å; F76-M142 HydrophobicContact CE2-SD 3.91Å |
| 77 | Q | 87.1 | Confident | 80.5 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 177.3 | -166.5 | 177.8 | -17.2 | 0 | 0 | 111.4 | A74 M75 R80 A81 | A74-Q77 PolarHBondContact O-N 3.01Å; M75-Q77 VanDerWaalsContact C-N 3.33Å; M75-Q77 PolarHBondContact O-N 3.42Å; Q77-R80 PolarHBondContact O-N 3.49Å; Q77-A81 PolarHBondContact O-N 2.9Å |
| 78 | A | 88.3 | Confident | 82 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A74 M75 R80 A81 L82 | A74-A78 PolarHBondContact O-N 2.91Å; M75-A78 PolarHBondContact O-N 3.39Å; A78-R80 PolarHBondContact O-N 2.94Å; A78-A81 PolarHBondContact O-N 3.2Å; A78-L82 WeakPolarHBondContact O-CG 3.23Å; A78-L82 PolarHBondContact O-N 2.97Å |
| 79 | V | 91.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | W30 L49 M75 F76 A81 L82 M83 G135 V138 F139 | W30-V79 HydrophobicContact CH2-CG1 4.37Å; W30-V79 HydrophobicContact CZ3-CG1 3.92Å; L49-V79 HydrophobicContact CD1-CG1 3.89Å; M75-V79 WeakPolarHBondContact O-CG2 3.37Å; M75-V79 PolarHBondContact O-N 3.24Å; F76-V79 PolarHBondContact O-N 2.93Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.29Å; V79-L82 PolarHBondContact O-N 2.75Å; V79-M83 HydrophobicContact CG1-CG 4.37Å; V79-M83 WeakPolarHBondContact O-CG 3.4Å; V79-M83 PolarHBondContact O-N 2.96Å; V79-G135 WeakPolarHBondContact CG1-O 3.22Å; V79-V138 HydrophobicContact CG2-CB 4.2Å; V79-V138 HydrophobicContact CG2-CG1 3.92Å; V79-F139 HydrophobicContact CG1-CB 4.29Å; V79-F139 HydrophobicContact CG1-CD2 4.32Å; V79-F139 HydrophobicContact CG2-CB 4.22Å |
| 80 | R | 91.9 | Very high | 85.8 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 174 | -77.1 | 176.1 | -176.8 | 176.4 | 5.8 | 111.8 | L49 Y66 F76 Q77 A78 L82 M83 I84 | L49-R80 HydrophobicContact CD1-CG 3.94Å; L49-R80 HydrophobicContact CD2-CB 4.49Å; L49-R80 HydrophobicContact CD2-CG 3.8Å; L49-R80 HydrophobicContact CG-CG 3.58Å; L49-R80 PolarHBondContact O-NE 3.3Å; L49-R80 PolarHBondContact O-NH2 3.25Å; Y66-R80 VanDerWaalsContact CD2-NH2 3.27Å; F76-R80 PolarHBondContact O-N 3.49Å; Q77-R80 PolarHBondContact O-N 3.49Å; A78-R80 PolarHBondContact O-N 2.94Å; R80-L82 PolarHBondContact O-N 3.41Å; R80-M83 PolarHBondContact O-N 3.48Å; R80-I84 WeakPolarHBondContact O-CD1 3.35Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.39Å |
| 81 | A | 91.9 | Very high | 87.9 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q77 A78 V79 M83 I84 V85 | Q77-A81 PolarHBondContact O-N 2.9Å; A78-A81 PolarHBondContact O-N 3.2Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.29Å; A81-M83 PolarHBondContact O-N 3.14Å; A81-I84 PolarHBondContact O-N 3Å; A81-V85 WeakPolarHBondContact O-CB 3.26Å; A81-V85 VanDerWaalsContact O-CG2 3.23Å; A81-V85 WeakPolarHBondContact O-CG2 3.3Å; A81-V85 PolarHBondContact O-N 3.5Å |
| 82 | L | 93.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.288 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 177.8 | -75.2 | 170.6 | 0 | 0 | 0 | 112.4 | A78 V79 R80 G86 T134 | A78-L82 WeakPolarHBondContact O-CG 3.23Å; A78-L82 PolarHBondContact O-N 2.97Å; V79-L82 PolarHBondContact O-N 2.75Å; R80-L82 PolarHBondContact O-N 3.41Å; L82-G86 PolarHBondContact O-N 2.96Å; L82-T134 HydrophobicContact CD1-CG2 4.35Å |
| 83 | M | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 178.2 | -66.3 | -59 | -68.2 | 0 | 0 | 111.6 | T25 W30 L49 V79 R80 A81 G86 I87 A132 V136 | T25-M83 HydrophobicContact CG2-CB 4.33Å; T25-M83 WeakPolarHBondContact OG1-CE 3.4Å; W30-M83 HydrophobicContact CH2-CE 3.98Å; W30-M83 HydrophobicContact CH2-CG 3.94Å; W30-M83 HydrophobicContact CH2-SD 4.01Å; W30-M83 HydrophobicContact CZ2-CE 4.15Å; L49-M83 HydrophobicContact CD2-CG 4.36Å; V79-M83 HydrophobicContact CG1-CG 4.37Å; V79-M83 WeakPolarHBondContact O-CG 3.4Å; V79-M83 PolarHBondContact O-N 2.96Å; R80-M83 PolarHBondContact O-N 3.48Å; A81-M83 PolarHBondContact O-N 3.14Å; M83-G86 PolarHBondContact O-N 3.39Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.49Å; M83-I87 PolarHBondContact O-N 3.41Å; M83-A132 HydrophobicContact SD-CB 4.38Å; M83-V136 HydrophobicContact CE-CG2 4.33Å; M83-V136 HydrophobicContact SD-CG2 4.07Å |
| 84 | I | 95.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 179.1 | -63.8 | 161.6 | 0 | 0 | 0 | 110.7 | W50 R80 A81 G86 I87 V88 | W50-I84 HydrophobicContact CH2-CD1 3.75Å; W50-I84 HydrophobicContact CH2-CG1 4.25Å; W50-I84 HydrophobicContact CZ2-CD1 4.36Å; W50-I84 HydrophobicContact CZ2-CG1 4.39Å; R80-I84 WeakPolarHBondContact O-CD1 3.35Å; R80-I84 WeakPolarHBondContact O-CG1 3.41Å; R80-I84 PolarHBondContact O-N 3.39Å; A81-I84 PolarHBondContact O-N 3Å; I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.35Å; I84-I87 PolarHBondContact O-N 3.5Å; I84-V88 HydrophobicContact CG2-CG2 4.36Å; I84-V88 WeakPolarHBondContact O-CG2 3.11Å; I84-V88 PolarHBondContact O-N 2.88Å |
| 85 | V | 95.7 | Very high | 93 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | A81 I87 V88 L89 | A81-V85 WeakPolarHBondContact O-CB 3.26Å; A81-V85 VanDerWaalsContact O-CG2 3.23Å; A81-V85 WeakPolarHBondContact O-CG2 3.3Å; A81-V85 PolarHBondContact O-N 3.5Å; V85-I87 PolarHBondContact O-N 2.85Å; V85-V88 PolarHBondContact O-N 3.33Å; V85-L89 HydrophobicContact CG1-CD1 3.96Å; V85-L89 HydrophobicContact CG1-CG 4.35Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.41Å |
| 86 | G | 95.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L82 M83 I84 G90 A128 | L82-G86 PolarHBondContact O-N 2.96Å; M83-G86 PolarHBondContact O-N 3.39Å; I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.35Å; G86-G90 PolarHBondContact O-N 3.26Å; G86-A128 VanDerWaalsContact O-CB 3.23Å; G86-A128 WeakPolarHBondContact O-CB 3.5Å |
| 87 | I | 96.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.138 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.8 | -70 | 165.2 | 0 | 0 | 0 | 111.2 | C21 I22 T25 M83 I84 V85 L89 G90 I91 | C21-I87 HydrophobicContact CB-CG1 4.23Å; I22-I87 HydrophobicContact CD1-CG2 4.32Å; I22-I87 HydrophobicContact CG1-CD1 4.21Å; I22-I87 HydrophobicContact CG1-CG1 4.15Å; I22-I87 HydrophobicContact CG1-CG2 3.78Å; T25-I87 HydrophobicContact CG2-CD1 4.12Å; T25-I87 WeakPolarHBondContact OG1-CD1 3.33Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.49Å; M83-I87 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 3.5Å; V85-I87 PolarHBondContact O-N 2.85Å; I87-L89 PolarHBondContact O-N 3.06Å; I87-G90 PolarHBondContact O-N 3.47Å; I87-I91 HydrophobicContact CG2-CD1 3.73Å; I87-I91 HydrophobicContact CG2-CG1 4.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.33Å; I87-I91 PolarHBondContact O-N 3.21Å |
| 88 | V | 97.4 | Very high | 94.3 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 179.8 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | I84 V85 G90 I91 L92 | I84-V88 HydrophobicContact CG2-CG2 4.36Å; I84-V88 WeakPolarHBondContact O-CG2 3.11Å; I84-V88 PolarHBondContact O-N 2.88Å; V85-V88 PolarHBondContact O-N 3.33Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.37Å; V88-I91 PolarHBondContact O-N 3.39Å; V88-L92 HydrophobicContact CG1-CD1 4.05Å; V88-L92 HydrophobicContact CG1-CG 4.47Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.19Å |
| 89 | L | 96.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.2 | -70.5 | 176.3 | 0 | 0 | 0 | 112 | V85 I87 G93 V127 A128 | V85-L89 HydrophobicContact CG1-CD1 3.96Å; V85-L89 HydrophobicContact CG1-CG 4.35Å; V85-L89 WeakPolarHBondContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.41Å; I87-L89 PolarHBondContact O-N 3.06Å; L89-G93 PolarHBondContact O-N 2.74Å; L89-V127 HydrophobicContact CD1-CB 4.43Å; L89-V127 HydrophobicContact CD1-CG1 3.74Å; L89-A128 HydrophobicContact CB-CB 4.11Å |
| 90 | G | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G86 I87 V88 G93 L94 F125 | G86-G90 PolarHBondContact O-N 3.26Å; I87-G90 PolarHBondContact O-N 3.47Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.37Å; G90-G93 PolarHBondContact O-N 2.93Å; G90-L94 WeakPolarHBondContact O-CG 3.34Å; G90-L94 PolarHBondContact O-N 3.5Å; G90-F125 VanDerWaalsContact O-CE1 3.3Å; G90-F125 WeakPolarHBondContact O-CE1 3.3Å |
| 91 | I | 97.1 | Very high | 93.5 | Very high | 75 Ų | 75 | 43.5 Ų | 43.5 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 177.4 | -67.3 | 170.2 | 0 | 0 | 0 | 110.6 | V18 I87 V88 G93 L94 L95 | V18-I91 HydrophobicContact CG1-CG1 4.26Å; I87-I91 HydrophobicContact CG2-CD1 3.73Å; I87-I91 HydrophobicContact CG2-CG1 4.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.33Å; I87-I91 PolarHBondContact O-N 3.21Å; V88-I91 PolarHBondContact O-N 3.39Å; I91-G93 VanDerWaalsContact C-N 3.3Å; I91-G93 PolarHBondContact O-N 3.44Å; I91-L94 WeakPolarHBondContact O-CB 3.32Å; I91-L94 PolarHBondContact O-N 2.94Å; I91-L95 HydrophobicContact CG2-CD1 4.48Å; I91-L95 WeakPolarHBondContact O-CG 3.08Å; I91-L95 PolarHBondContact O-N 3.39Å |
| 92 | L | 96.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.4 | -68.3 | 175.7 | 0 | 0 | 0 | 111.1 | V88 L94 L95 V96 M124 | V88-L92 HydrophobicContact CG1-CD1 4.05Å; V88-L92 HydrophobicContact CG1-CG 4.47Å; V88-L92 WeakPolarHBondContact O-CB 3.34Å; V88-L92 VanDerWaalsContact O-CG 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.32Å; V88-L92 PolarHBondContact O-N 3.19Å; L92-L94 PolarHBondContact O-N 3Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-V96 WeakPolarHBondContact O-CG2 3.08Å; L92-V96 PolarHBondContact O-N 3.32Å; L92-M124 HydrophobicContact CB-SD 4.42Å |
| 93 | G | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L89 G90 I91 V96 C97 S121 F125 | L89-G93 PolarHBondContact O-N 2.74Å; G90-G93 PolarHBondContact O-N 2.93Å; I91-G93 VanDerWaalsContact C-N 3.3Å; I91-G93 PolarHBondContact O-N 3.44Å; G93-V96 PolarHBondContact O-N 2.89Å; G93-C97 WeakPolarHBondContact O-CB 3.16Å; G93-C97 PolarHBondContact O-N 2.93Å; G93-S121 WeakPolarHBondContact O-CB 3.3Å; G93-F125 VanDerWaalsContact C-CZ 3.45Å |
| 94 | L | 95.5 | Very high | 90 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.5 | -76 | 169.6 | 0 | 0 | 0 | 111.9 | F11 V18 G90 I91 L92 C97 I98 F125 | F11-L94 HydrophobicContact CD2-CD2 4.24Å; F11-L94 HydrophobicContact CE2-CD2 3.78Å; V18-L94 HydrophobicContact CB-CD1 3.99Å; V18-L94 HydrophobicContact CG1-CD1 3.94Å; V18-L94 HydrophobicContact CG2-CD1 4.18Å; V18-L94 HydrophobicContact CG2-CG 4.5Å; G90-L94 WeakPolarHBondContact O-CG 3.34Å; G90-L94 PolarHBondContact O-N 3.5Å; I91-L94 WeakPolarHBondContact O-CB 3.32Å; I91-L94 PolarHBondContact O-N 2.94Å; L92-L94 PolarHBondContact O-N 3Å; L94-C97 PolarHBondContact O-N 3.43Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 3.26Å; L94-F125 HydrophobicContact CB-CZ 4.27Å; L94-F125 HydrophobicContact CD2-CE1 4.05Å; L94-F125 HydrophobicContact CD2-CZ 3.61Å; L94-F125 HydrophobicContact CG-CE1 3.8Å; L94-F125 HydrophobicContact CG-CZ 3.68Å; L94-F125 VanDerWaalsContact N-CZ 3.35Å |
| 95 | L | 94.1 | Very high | 88.3 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 178.7 | -66.7 | 175.6 | 0 | 0 | 0 | 111.3 | I91 L92 C97 I98 F99 | I91-L95 HydrophobicContact CG2-CD1 4.48Å; I91-L95 WeakPolarHBondContact O-CG 3.08Å; I91-L95 PolarHBondContact O-N 3.39Å; L92-L95 PolarHBondContact O-N 3.23Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.31Å; L95-I98 PolarHBondContact O-N 3.02Å; L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 2.98Å |
| 96 | V | 92.6 | Very high | 86.4 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L92 G93 I98 F99 A100 M117 | L92-V96 WeakPolarHBondContact O-CG2 3.08Å; L92-V96 PolarHBondContact O-N 3.32Å; G93-V96 PolarHBondContact O-N 2.89Å; V96-I98 PolarHBondContact O-N 2.73Å; V96-F99 PolarHBondContact O-N 3.19Å; V96-A100 PolarHBondContact O-N 2.93Å; V96-A100 VanDerWaalsContact O-N 3.16Å; V96-M117 HydrophobicContact CG1-CB 4.08Å; V96-M117 WeakPolarHBondContact CG1-O 3.35Å |
| 97 | C | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 179.9 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | F11 G93 L94 L95 F99 A100 L101 F125 M188 | F11-C97 HydrophobicContact CD2-CB 4.09Å; F11-C97 VanDerWaalsContact CD2-SG 3.59Å; F11-C97 HydrophobicContact CE2-CB 4.43Å; G93-C97 WeakPolarHBondContact O-CB 3.16Å; G93-C97 PolarHBondContact O-N 2.93Å; L94-C97 PolarHBondContact O-N 3.43Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.31Å; C97-F99 VanDerWaalsContact C-N 3.28Å; C97-F99 PolarHBondContact O-N 2.89Å; C97-A100 WeakPolarHBondContact O-CA 3.09Å; C97-A100 WeakPolarHBondContact O-CB 3.17Å; C97-A100 PolarHBondContact O-N 3.28Å; C97-L101 WeakPolarHBondContact O-CG 3.23Å; C97-L101 PolarHBondContact O-N 3.3Å; C97-L101 VanDerWaalsContact O-N 3.1Å; C97-F125 HydrophobicContact CB-CE2 4.32Å; C97-M188 WeakPolarHBondContact SG-CE 3.39Å; C97-M188 VanDerWaalsContact SG-SD 3.62Å |
| 98 | I | 90.8 | Very high | 82.9 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 177.1 | -71.5 | 164.1 | 0 | 0 | 0 | 110.7 | F11 L94 L95 V96 A100 I104 | F11-I98 HydrophobicContact CE2-CG1 3.87Å; F11-I98 HydrophobicContact CZ-CG1 3.94Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 3.26Å; L95-I98 PolarHBondContact O-N 3.02Å; V96-I98 PolarHBondContact O-N 2.73Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.41Å; I98-I104 HydrophobicContact CG2-CD1 3.6Å; I98-I104 VanDerWaalsContact O-CD1 3.32Å; I98-I104 WeakPolarHBondContact O-CD1 3.35Å |
| 99 | F | 87.1 | Confident | 81.4 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.8 | -24.9 | 176.1 | -64.7 | -64.3 | 0 | 0 | 0 | 113.5 | L95 V96 C97 I106 | L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 2.98Å; V96-F99 PolarHBondContact O-N 3.19Å; C97-F99 VanDerWaalsContact C-N 3.28Å; C97-F99 PolarHBondContact O-N 2.89Å; F99-I106 HydrophobicContact CD1-CG2 4.33Å |
| 100 | A | 85.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -82.2 | -18.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q7 V96 C97 I98 M117 T118 | Q7-A100 PolarHBondContact NE2-O 2.86Å; V96-A100 PolarHBondContact O-N 2.93Å; V96-A100 VanDerWaalsContact O-N 3.16Å; C97-A100 WeakPolarHBondContact O-CA 3.09Å; C97-A100 WeakPolarHBondContact O-CB 3.17Å; C97-A100 PolarHBondContact O-N 3.28Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 3.41Å; A100-M117 HydrophobicContact CB-CB 3.77Å; A100-T118 WeakPolarHBondContact CB-OG1 3.18Å |
| 101 | L | 83.3 | Confident | 79.5 | Confident | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | trans | -62.9 | 136.8 | -178.9 | -71.4 | 169.7 | 0 | 0 | 0 | 111.5 | Q7 F11 C97 C103 I104 K114 | Q7-L101 HydrophobicContact CG-CD2 4.22Å; F11-L101 HydrophobicContact CD1-CD1 4.4Å; F11-L101 HydrophobicContact CE1-CD1 4.49Å; F11-L101 HydrophobicContact CG-CD1 4.45Å; C97-L101 WeakPolarHBondContact O-CG 3.23Å; C97-L101 PolarHBondContact O-N 3.3Å; C97-L101 VanDerWaalsContact O-N 3.1Å; L101-C103 PolarHBondContact O-N 3.02Å; L101-I104 HydrophobicContact CD1-CD1 4.48Å; L101-I104 PolarHBondContact O-N 2.97Å; L101-K114 PolarHBondContact O-NZ 3.28Å | ||
| 102 | K | 72.1 | Confident | 78.7 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.2 | 176 | -77.8 | -169.9 | 150.3 | 67.9 | 0 | 113.2 | I104 D111 | K102-I104 PolarHBondContact O-N 3.19Å; K102-D111 IonicContact NZ-OD1 2.98Å; K102-D111 PolarHBondContact NZ-OD1 3.45Å |
| 103 | C | 67.3 | Low | 78.1 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 69% | 0.689 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.9 | 179.6 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | L101 | L101-C103 PolarHBondContact O-N 3.02Š|
| 104 | I | 68.2 | Low | 77.6 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | trans | -105.9 | 110 | -179.9 | -64.6 | 174.2 | 0 | 0 | 0 | 108.3 | I98 L101 K102 I106 K114 | I98-I104 HydrophobicContact CG2-CD1 3.6Å; I98-I104 VanDerWaalsContact O-CD1 3.32Å; I98-I104 WeakPolarHBondContact O-CD1 3.35Å; L101-I104 HydrophobicContact CD1-CD1 4.48Å; L101-I104 PolarHBondContact O-N 2.97Å; K102-I104 PolarHBondContact O-N 3.19Å; I104-I106 HydrophobicContact CG2-CB 4.42Å; I104-I106 HydrophobicContact CG2-CD1 3.94Å; I104-I106 PolarHBondContact O-N 3.48Å; I104-K114 PolarHBondContact O-NZ 3.37Å | ||
| 105 | R | 58.3 | Low | 77.1 | Confident | 235 Ų | 235 | 72.2 Ų | 72.2 | 89% | 0.887 | 39% | 0.391 | S | S | * | . | trans | -89.3 | 74 | 177.8 | -165.5 | 168.3 | -177 | 152 | -0.7 | 109.9 | ||||
| 106 | I | 55.8 | Low | 76.9 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | trans | -89.2 | 102.1 | 167.7 | -117 | 75.1 | 0 | 0 | 0 | 107.7 | F99 I104 M109 | F99-I106 HydrophobicContact CD1-CG2 4.33Å; I104-I106 HydrophobicContact CG2-CB 4.42Å; I104-I106 HydrophobicContact CG2-CD1 3.94Å; I104-I106 PolarHBondContact O-N 3.48Å; I106-M109 WeakPolarHBondContact O-CG 3.49Å | ||
| 107 | G | 57.8 | Low | 76.8 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 64.9 | -176.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | M109 | G107-M109 PolarHBondContact O-N 3Š|
| 108 | S | 61.2 | Low | 76.8 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 89% | 0.888 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -85.2 | 56.8 | 172 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 109 | M | 66.6 | Low | 76.9 | Confident | 101 Ų | 101 | 73.9 Ų | 73.9 | 50% | 0.498 | 40% | 0.398 | S | S | . | . | trans | -74.8 | 130.3 | 175.7 | -67.4 | -67 | 176.6 | 0 | 0 | 109.9 | I106 G107 | I106-M109 WeakPolarHBondContact O-CG 3.49Å; G107-M109 PolarHBondContact O-N 3Å | ||
| 110 | E | 76 | Confident | 77.2 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | trans | -63 | 147.9 | 174.2 | -63.8 | -174.4 | 166.6 | 0 | 0 | 111.3 | S112 A113 K114 | E110-S112 VanDerWaalsContact CB-OG 3.3Å; E110-S112 WeakPolarHBondContact CB-OG 3.18Å; E110-S112 PolarHBondContact O-N 2.94Å; E110-S112 PolarHBondContact OE2-OG 3.39Å; E110-A113 WeakPolarHBondContact O-CB 3.37Å; E110-A113 PolarHBondContact O-N 3.18Å; E110-A113 VanDerWaalsContact O-N 3.1Å; E110-K114 PolarHBondContact O-N 2.82Å | ||
| 111 | D | 77.4 | Confident | 77.7 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -29.5 | 177.9 | -80.9 | -53.7 | 0 | 0 | 0 | 112.5 | K102 K114 A115 | K102-D111 IonicContact NZ-OD1 2.98Å; K102-D111 PolarHBondContact NZ-OD1 3.45Å; D111-K114 PolarHBondContact O-N 2.91Å; D111-A115 PolarHBondContact O-N 2.85Å |
| 112 | S | 79.7 | Confident | 78.2 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 172.9 | 54.2 | 0 | 0 | 0 | 0 | 112 | E110 A115 N116 | E110-S112 VanDerWaalsContact CB-OG 3.3Å; E110-S112 WeakPolarHBondContact CB-OG 3.18Å; E110-S112 PolarHBondContact O-N 2.94Å; E110-S112 PolarHBondContact OE2-OG 3.39Å; S112-A115 PolarHBondContact O-N 3.32Å; S112-N116 PolarHBondContact O-N 3.26Å; S112-N116 VanDerWaalsContact O-N 3.07Å; S112-N116 PolarHBondContact O-ND2 3.42Å |
| 113 | A | 84.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 26% | 0.256 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E110 A115 N116 M117 | E110-A113 WeakPolarHBondContact O-CB 3.37Å; E110-A113 PolarHBondContact O-N 3.18Å; E110-A113 VanDerWaalsContact O-N 3.1Å; A113-A115 VanDerWaalsContact C-N 3.34Å; A113-A115 PolarHBondContact O-N 3.44Å; A113-N116 PolarHBondContact O-N 3.2Å; A113-M117 VanDerWaalsContact O-CG 3.31Å; A113-M117 WeakPolarHBondContact O-CG 3.41Å; A113-M117 PolarHBondContact O-N 3.34Å |
| 114 | K | 83.9 | Confident | 80.8 | Confident | 25 Ų | 25 | 69.3 Ų | 69.3 | 11% | 0.109 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 175.9 | -68.2 | -168 | 172.5 | -149.2 | 0 | 112.6 | L101 I104 E110 D111 T118 | L101-K114 PolarHBondContact O-NZ 3.28Å; I104-K114 PolarHBondContact O-NZ 3.37Å; E110-K114 PolarHBondContact O-N 2.82Å; D111-K114 PolarHBondContact O-N 2.91Å; K114-T118 WeakPolarHBondContact O-CB 3.46Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 3.45Å |
| 115 | A | 85.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D111 S112 A113 M117 T118 L119 C192 L195 V196 | D111-A115 PolarHBondContact O-N 2.85Å; S112-A115 PolarHBondContact O-N 3.32Å; A113-A115 VanDerWaalsContact C-N 3.34Å; A113-A115 PolarHBondContact O-N 3.44Å; A115-M117 PolarHBondContact O-N 2.86Å; A115-T118 WeakPolarHBondContact O-CB 3.35Å; A115-T118 PolarHBondContact O-N 2.95Å; A115-T118 VanDerWaalsContact O-N 3.12Å; A115-L119 PolarHBondContact O-N 2.98Å; A115-C192 PolarHBondContact O-SG 2.87Å; A115-L195 HydrophobicContact CB-CB 4.15Å; A115-V196 HydrophobicContact CB-CG2 4.49Å |
| 116 | N | 88.9 | Confident | 84 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 177.6 | -72.1 | -28.3 | 0 | 0 | 0 | 112.3 | S112 A113 T118 L119 T120 | S112-N116 PolarHBondContact O-N 3.26Å; S112-N116 VanDerWaalsContact O-N 3.07Å; S112-N116 PolarHBondContact O-ND2 3.42Å; A113-N116 PolarHBondContact O-N 3.2Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.43Å; N116-L119 PolarHBondContact O-N 2.93Å; N116-T120 PolarHBondContact O-N 3.33Å; N116-T120 PolarHBondContact O-OG1 3.33Å |
| 117 | M | 91.1 | Very high | 86 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.6 | -69.1 | 177 | -176.6 | 0 | 0 | 112.2 | V96 A100 A113 A115 T120 S121 | V96-M117 HydrophobicContact CG1-CB 4.08Å; V96-M117 WeakPolarHBondContact CG1-O 3.35Å; A100-M117 HydrophobicContact CB-CB 3.77Å; A113-M117 VanDerWaalsContact O-CG 3.31Å; A113-M117 WeakPolarHBondContact O-CG 3.41Å; A113-M117 PolarHBondContact O-N 3.34Å; A115-M117 PolarHBondContact O-N 2.86Å; M117-T120 PolarHBondContact O-N 2.93Å; M117-S121 WeakPolarHBondContact O-CB 3.29Å; M117-S121 PolarHBondContact O-N 2.98Å; M117-S121 PolarHBondContact O-OG 3.48Å |
| 118 | T | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | Q7 A100 K114 A115 N116 S121 G122 M188 | Q7-T118 HydrophobicContact CG-CG2 4.19Å; Q7-T118 PolarHBondContact NE2-OG1 3.3Å; Q7-T118 VanDerWaalsContact NE2-OG1 3.13Å; A100-T118 WeakPolarHBondContact CB-OG1 3.18Å; K114-T118 WeakPolarHBondContact O-CB 3.46Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 3.45Å; A115-T118 WeakPolarHBondContact O-CB 3.35Å; A115-T118 PolarHBondContact O-N 2.95Å; A115-T118 VanDerWaalsContact O-N 3.12Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.43Å; T118-S121 PolarHBondContact O-N 2.93Å; T118-S121 PolarHBondContact O-OG 2.98Å; T118-G122 PolarHBondContact O-N 3.36Å; T118-M188 HydrophobicContact CG2-SD 3.65Å |
| 119 | L | 92.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176.8 | -177.4 | 62.1 | 0 | 0 | 0 | 112 | A115 N116 S121 G122 I123 C189 C192 | A115-L119 PolarHBondContact O-N 2.98Å; N116-L119 PolarHBondContact O-N 2.93Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.26Å; L119-G122 PolarHBondContact O-N 3.48Å; L119-I123 HydrophobicContact CD1-CD1 4.35Å; L119-I123 HydrophobicContact CG-CD1 4.12Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 2.88Å; L119-C189 HydrophobicContact CD1-CB 4.33Å; L119-C192 HydrophobicContact CB-CB 4.11Å; L119-C192 HydrophobicContact CD1-CB 4.47Å |
| 120 | T | 93.8 | Very high | 91 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | N116 M117 G122 I123 M124 | N116-T120 PolarHBondContact O-N 3.33Å; N116-T120 PolarHBondContact O-OG1 3.33Å; M117-T120 PolarHBondContact O-N 2.93Å; T120-G122 PolarHBondContact O-N 2.91Å; T120-I123 PolarHBondContact O-N 3.41Å; T120-M124 HydrophobicContact CG2-CE 4Å; T120-M124 WeakPolarHBondContact O-CG 3.15Å; T120-M124 PolarHBondContact O-N 3.38Å |
| 121 | S | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.6 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | G93 M117 T118 L119 M124 F125 | G93-S121 WeakPolarHBondContact O-CB 3.3Å; M117-S121 WeakPolarHBondContact O-CB 3.29Å; M117-S121 PolarHBondContact O-N 2.98Å; M117-S121 PolarHBondContact O-OG 3.48Å; T118-S121 PolarHBondContact O-N 2.93Å; T118-S121 PolarHBondContact O-OG 2.98Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.26Å; S121-M124 PolarHBondContact O-N 3.4Å; S121-F125 WeakPolarHBondContact O-CD2 3.36Å; S121-F125 PolarHBondContact O-N 2.87Å |
| 122 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T118 L119 T120 F125 I126 | T118-G122 PolarHBondContact O-N 3.36Å; L119-G122 PolarHBondContact O-N 3.48Å; T120-G122 PolarHBondContact O-N 2.91Å; G122-F125 PolarHBondContact O-N 3.2Å; G122-I126 WeakPolarHBondContact O-CG1 3.46Å; G122-I126 PolarHBondContact O-N 3.33Å |
| 123 | I | 96.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 35.3 Ų | 35.3 | 46% | 0.456 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.9 | -64.1 | 166.9 | 0 | 0 | 0 | 110.6 | L119 T120 F125 I126 V127 | L119-I123 HydrophobicContact CD1-CD1 4.35Å; L119-I123 HydrophobicContact CG-CD1 4.12Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 2.88Å; T120-I123 PolarHBondContact O-N 3.41Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.95Å; I123-I126 PolarHBondContact O-N 3.43Å; I123-V127 HydrophobicContact CG2-CG2 4.44Å; I123-V127 WeakPolarHBondContact O-CG2 3.28Å; I123-V127 PolarHBondContact O-N 2.91Å |
| 124 | M | 96.5 | Very high | 94.2 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.3 | -72.4 | -175.9 | 176.3 | 0 | 0 | 112.1 | L92 T120 S121 V127 A128 | L92-M124 HydrophobicContact CB-SD 4.42Å; T120-M124 HydrophobicContact CG2-CE 4Å; T120-M124 WeakPolarHBondContact O-CG 3.15Å; T120-M124 PolarHBondContact O-N 3.38Å; S121-M124 PolarHBondContact O-N 3.4Å; M124-V127 PolarHBondContact O-N 3.46Å; M124-A128 VanDerWaalsContact O-CB 3.22Å; M124-A128 WeakPolarHBondContact O-CB 3.3Å; M124-A128 PolarHBondContact O-N 2.88Å |
| 125 | F | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 175.1 | -72.6 | -52.5 | 0 | 0 | 0 | 113.4 | V18 G90 G93 L94 C97 S121 G122 I123 A128 G129 | V18-F125 HydrophobicContact CG2-CD1 4.1Å; V18-F125 HydrophobicContact CG2-CE1 3.8Å; G90-F125 VanDerWaalsContact O-CE1 3.3Å; G90-F125 WeakPolarHBondContact O-CE1 3.3Å; G93-F125 VanDerWaalsContact C-CZ 3.45Å; L94-F125 HydrophobicContact CB-CZ 4.27Å; L94-F125 HydrophobicContact CD2-CE1 4.05Å; L94-F125 HydrophobicContact CD2-CZ 3.61Å; L94-F125 HydrophobicContact CG-CE1 3.8Å; L94-F125 HydrophobicContact CG-CZ 3.68Å; L94-F125 VanDerWaalsContact N-CZ 3.35Å; C97-F125 HydrophobicContact CB-CE2 4.32Å; S121-F125 WeakPolarHBondContact O-CD2 3.36Å; S121-F125 PolarHBondContact O-N 2.87Å; G122-F125 PolarHBondContact O-N 3.2Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.95Å; F125-A128 PolarHBondContact O-N 3.29Å; F125-G129 PolarHBondContact O-N 2.05Å |
| 126 | I | 97.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | 175.8 | -70.9 | 167 | 0 | 0 | 0 | 110 | G122 I123 A128 G129 L130 L182 I186 | G122-I126 WeakPolarHBondContact O-CG1 3.46Å; G122-I126 PolarHBondContact O-N 3.33Å; I123-I126 PolarHBondContact O-N 3.43Å; I126-A128 VanDerWaalsContact C-N 3.35Å; I126-A128 PolarHBondContact O-N 3.01Å; I126-G129 PolarHBondContact O-N 3.46Å; I126-L130 HydrophobicContact CG2-CD1 4.15Å; I126-L130 WeakPolarHBondContact O-CG 3.4Å; I126-L130 PolarHBondContact O-N 2.9Å; I126-L182 HydrophobicContact CB-CD2 4.26Å; I126-L182 HydrophobicContact CG1-CD2 4.41Å; I126-L182 HydrophobicContact CG2-CD2 3.81Å; I126-I186 HydrophobicContact CD1-CG1 4.1Å; I126-I186 HydrophobicContact CG1-CG1 4.3Å |
| 127 | V | 97.5 | Very high | 95.4 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 38% | 0.376 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 178.7 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | L89 I123 M124 G129 L130 C131 | L89-V127 HydrophobicContact CD1-CB 4.43Å; L89-V127 HydrophobicContact CD1-CG1 3.74Å; I123-V127 HydrophobicContact CG2-CG2 4.44Å; I123-V127 WeakPolarHBondContact O-CG2 3.28Å; I123-V127 PolarHBondContact O-N 2.91Å; M124-V127 PolarHBondContact O-N 3.46Å; V127-G129 PolarHBondContact O-N 3.37Å; V127-L130 PolarHBondContact O-N 2.86Å; V127-C131 PolarHBondContact O-N 3.48Å; V127-C131 PolarHBondContact O-SG 3.08Å |
| 128 | A | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G86 L89 M124 F125 I126 C131 A132 | G86-A128 VanDerWaalsContact O-CB 3.23Å; G86-A128 WeakPolarHBondContact O-CB 3.5Å; L89-A128 HydrophobicContact CB-CB 4.11Å; M124-A128 VanDerWaalsContact O-CB 3.22Å; M124-A128 WeakPolarHBondContact O-CB 3.3Å; M124-A128 PolarHBondContact O-N 2.88Å; F125-A128 PolarHBondContact O-N 3.29Å; I126-A128 VanDerWaalsContact C-N 3.35Å; I126-A128 PolarHBondContact O-N 3.01Å; A128-C131 PolarHBondContact O-N 3.4Å; A128-A132 PolarHBondContact O-N 3.47Å |
| 129 | G | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F125 I126 V127 A132 I133 | F125-G129 PolarHBondContact O-N 2.05Å; I126-G129 PolarHBondContact O-N 3.46Å; V127-G129 PolarHBondContact O-N 3.37Å; G129-A132 PolarHBondContact O-N 2.91Å; G129-I133 WeakPolarHBondContact O-CB 3.48Å; G129-I133 WeakPolarHBondContact O-CG1 3.35Å; G129-I133 PolarHBondContact O-N 3.29Å |
| 130 | L | 97.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 29.4 Ų | 29.4 | 45% | 0.445 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 173.8 | -70.7 | 173.3 | 0 | 0 | 0 | 111.6 | I126 V127 A132 I133 T134 L182 | I126-L130 HydrophobicContact CG2-CD1 4.15Å; I126-L130 WeakPolarHBondContact O-CG 3.4Å; I126-L130 PolarHBondContact O-N 2.9Å; V127-L130 PolarHBondContact O-N 2.86Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.27Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-T134 WeakPolarHBondContact O-CB 3.35Å; L130-T134 PolarHBondContact O-N 2.76Å; L130-T134 PolarHBondContact O-OG1 3.31Å; L130-L182 HydrophobicContact CD2-CD1 4.14Å; L130-L182 HydrophobicContact CD2-CD2 4.17Å; L130-L182 HydrophobicContact CG-CD2 4.03Å |
| 131 | C | 96 | Very high | 95.3 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 176.6 | -70.8 | 0 | 0 | 0 | 0 | 112 | V127 A128 G135 | V127-C131 PolarHBondContact O-N 3.48Å; V127-C131 PolarHBondContact O-SG 3.08Å; A128-C131 PolarHBondContact O-N 3.4Å; C131-G135 PolarHBondContact O-N 3.46Å |
| 132 | A | 95.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -49 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M83 A128 G129 L130 T134 G135 V136 | M83-A132 HydrophobicContact SD-CB 4.38Å; A128-A132 PolarHBondContact O-N 3.47Å; G129-A132 PolarHBondContact O-N 2.91Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.27Å; A132-T134 PolarHBondContact O-N 3.46Å; A132-G135 PolarHBondContact O-N 2.9Å; A132-V136 WeakPolarHBondContact O-CB 3.33Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 2.78Å |
| 133 | I | 96.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 177.7 | -77 | 167.2 | 0 | 0 | 0 | 110.9 | G129 L130 G135 V136 S137 W175 L182 | G129-I133 WeakPolarHBondContact O-CB 3.48Å; G129-I133 WeakPolarHBondContact O-CG1 3.35Å; G129-I133 PolarHBondContact O-N 3.29Å; L130-I133 PolarHBondContact O-N 3.44Å; I133-G135 PolarHBondContact O-N 3.4Å; I133-V136 PolarHBondContact O-N 3.38Å; I133-S137 VanDerWaalsContact O-CB 3.26Å; I133-S137 WeakPolarHBondContact O-CB 3.48Å; I133-S137 PolarHBondContact O-N 2.97Å; I133-S137 PolarHBondContact O-OG 3.47Å; I133-W175 HydrophobicContact CB-CZ3 4.36Å; I133-W175 HydrophobicContact CG1-CE3 4.15Å; I133-W175 HydrophobicContact CG1-CZ3 4.36Å; I133-W175 HydrophobicContact CG2-CE3 4.02Å; I133-W175 HydrophobicContact CG2-CH2 3.98Å; I133-W175 HydrophobicContact CG2-CZ3 3.41Å; I133-W175 VanDerWaalsContact CG2-CZ3 3.41Å; I133-L182 HydrophobicContact CD1-CD1 3.43Å; I133-L182 VanDerWaalsContact CD1-CD1 3.43Å; I133-L182 HydrophobicContact CD1-CG 4.4Å |
| 134 | T | 95.8 | Very high | 94 | Very high | 69 Ų | 69 | 32 Ų | 32 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | 178.5 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | L82 L130 A132 V136 S137 V138 | L82-T134 HydrophobicContact CD1-CG2 4.35Å; L130-T134 WeakPolarHBondContact O-CB 3.35Å; L130-T134 PolarHBondContact O-N 2.76Å; L130-T134 PolarHBondContact O-OG1 3.31Å; A132-T134 PolarHBondContact O-N 3.46Å; T134-V136 PolarHBondContact O-N 3.37Å; T134-S137 PolarHBondContact O-N 2.93Å; T134-V138 HydrophobicContact CG2-CG2 4.19Å; T134-V138 WeakPolarHBondContact O-CB 3.37Å; T134-V138 VanDerWaalsContact O-CG2 3.22Å; T134-V138 WeakPolarHBondContact O-CG2 3.47Å; T134-V138 PolarHBondContact O-N 3.31Å |
| 135 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V79 C131 A132 I133 F139 | V79-G135 WeakPolarHBondContact CG1-O 3.22Å; C131-G135 PolarHBondContact O-N 3.46Å; A132-G135 PolarHBondContact O-N 2.9Å; I133-G135 PolarHBondContact O-N 3.4Å; G135-F139 PolarHBondContact O-N 3.25Å; G135-F139 VanDerWaalsContact O-N 3.16Å |
| 136 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | W30 M83 A132 I133 T134 F139 A140 L171 W175 | W30-V136 HydrophobicContact CH2-CG2 4.04Å; W30-V136 HydrophobicContact CZ3-CG2 4.36Å; M83-V136 HydrophobicContact CE-CG2 4.33Å; M83-V136 HydrophobicContact SD-CG2 4.07Å; A132-V136 WeakPolarHBondContact O-CB 3.33Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 2.78Å; I133-V136 PolarHBondContact O-N 3.38Å; T134-V136 PolarHBondContact O-N 3.37Å; V136-F139 PolarHBondContact O-N 3.26Å; V136-A140 VanDerWaalsContact O-CB 3.31Å; V136-A140 WeakPolarHBondContact O-CB 3.05Å; V136-A140 PolarHBondContact O-N 2.83Å; V136-L171 HydrophobicContact CG1-CB 4.02Å; V136-L171 HydrophobicContact CG1-CD2 3.71Å; V136-L171 HydrophobicContact CG1-CG 4.48Å; V136-L171 WeakPolarHBondContact CG1-O 3.33Å; V136-W175 VanDerWaalsContact CG1-CD1 3.41Å; V136-W175 HydrophobicContact CG1-CD2 4.38Å; V136-W175 HydrophobicContact CG1-CG 4.02Å |
| 137 | S | 94.9 | Very high | 91.7 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | I133 T134 F139 A140 N141 W175 | I133-S137 VanDerWaalsContact O-CB 3.26Å; I133-S137 WeakPolarHBondContact O-CB 3.48Å; I133-S137 PolarHBondContact O-N 2.97Å; I133-S137 PolarHBondContact O-OG 3.47Å; T134-S137 PolarHBondContact O-N 2.93Å; S137-F139 VanDerWaalsContact C-N 3.3Å; S137-F139 PolarHBondContact O-N 3.46Å; S137-A140 PolarHBondContact O-N 3.42Å; S137-N141 WeakPolarHBondContact O-CB 3.48Å; S137-N141 PolarHBondContact O-N 2.94Å; S137-W175 WeakPolarHBondContact OG-CH2 3.42Å; S137-W175 WeakPolarHBondContact OG-CZ2 3.41Å |
| 138 | V | 93.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 179.6 | 168.3 | 0 | 0 | 0 | 0 | 109.8 | M75 V79 T134 N141 M142 | M75-V138 HydrophobicContact CE-CG1 3.79Å; V79-V138 HydrophobicContact CG2-CB 4.2Å; V79-V138 HydrophobicContact CG2-CG1 3.92Å; T134-V138 HydrophobicContact CG2-CG2 4.19Å; T134-V138 WeakPolarHBondContact O-CB 3.37Å; T134-V138 VanDerWaalsContact O-CG2 3.22Å; T134-V138 WeakPolarHBondContact O-CG2 3.47Å; T134-V138 PolarHBondContact O-N 3.31Å; V138-N141 PolarHBondContact O-N 3.04Å; V138-M142 PolarHBondContact O-N 3.45Å |
| 139 | F | 90.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.9 | -167.2 | -85.8 | 0 | 0 | 0 | 111.8 | W30 F76 V79 G135 V136 S137 N141 M142 L143 L171 | W30-F139 HydrophobicContact CB-CE1 3.77Å; W30-F139 HydrophobicContact CB-CE2 4.49Å; W30-F139 HydrophobicContact CB-CZ 3.72Å; W30-F139 HydrophobicContact CE3-CB 4.24Å; W30-F139 AromaticContact CE3-CD1 3.85Å; W30-F139 HydrophobicContact CE3-CD1 3.85Å; W30-F139 AromaticContact CE3-CD2 3.87Å; W30-F139 HydrophobicContact CE3-CD2 3.87Å; W30-F139 HydrophobicContact CE3-CE1 4.09Å; W30-F139 HydrophobicContact CE3-CE2 4.09Å; W30-F139 AromaticContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CG 3.72Å; W30-F139 HydrophobicContact CE3-CZ 4.21Å; W30-F139 HydrophobicContact CZ3-CB 4.14Å; W30-F139 HydrophobicContact CZ3-CD2 4.32Å; W30-F139 HydrophobicContact CZ3-CG 4.1Å; F76-F139 HydrophobicContact CD1-CE2 4.18Å; F76-F139 HydrophobicContact CD2-CE2 4.39Å; F76-F139 AromaticContact CE1-CE2 3.51Å; F76-F139 HydrophobicContact CE1-CE2 3.51Å; F76-F139 HydrophobicContact CE1-CZ 4.22Å; F76-F139 HydrophobicContact CE2-CD2 4.45Å; F76-F139 AromaticContact CE2-CE2 3.73Å; F76-F139 HydrophobicContact CE2-CE2 3.73Å; F76-F139 HydrophobicContact CE2-CZ 4.35Å; F76-F139 HydrophobicContact CZ-CD2 4.32Å; F76-F139 AromaticContact CZ-CE2 3.26Å; F76-F139 HydrophobicContact CZ-CE2 3.26Å; F76-F139 AromaticContact CZ-CZ 3.72Å; F76-F139 HydrophobicContact CZ-CZ 3.72Å; V79-F139 HydrophobicContact CG1-CB 4.29Å; V79-F139 HydrophobicContact CG1-CD2 4.32Å; V79-F139 HydrophobicContact CG2-CB 4.22Å; G135-F139 PolarHBondContact O-N 3.25Å; G135-F139 VanDerWaalsContact O-N 3.16Å; V136-F139 PolarHBondContact O-N 3.26Å; S137-F139 VanDerWaalsContact C-N 3.3Å; S137-F139 PolarHBondContact O-N 3.46Å; F139-N141 VanDerWaalsContact C-N 3.33Å; F139-N141 PolarHBondContact O-N 3.25Å; F139-M142 WeakPolarHBondContact O-CB 3.48Å; F139-M142 PolarHBondContact O-N 3.27Å; F139-L143 HydrophobicContact CD1-CD1 3.59Å; F139-L143 HydrophobicContact CD1-CD2 4.37Å; F139-L143 HydrophobicContact CE1-CD1 3.27Å; F139-L143 HydrophobicContact CE1-CD2 4.02Å; F139-L143 HydrophobicContact CE1-CG 4.29Å; F139-L143 HydrophobicContact CG-CD1 4.44Å; F139-L143 HydrophobicContact CZ-CD1 3.89Å; F139-L143 WeakPolarHBondContact O-CD1 3.27Å; F139-L143 PolarHBondContact O-N 3.49Å; F139-L171 HydrophobicContact CB-CD2 4.3Å; F139-L171 HydrophobicContact CD1-CD1 4.06Å; F139-L171 HydrophobicContact CD1-CD2 3.61Å; F139-L171 HydrophobicContact CD1-CG 4.38Å; F139-L171 HydrophobicContact CE1-CD1 4.41Å; F139-L171 HydrophobicContact CE1-CD2 4.28Å; F139-L171 HydrophobicContact CG-CD2 4.23Å |
| 140 | A | 91 | Very high | 88.6 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V136 S137 M142 L143 V144 F167 | V136-A140 VanDerWaalsContact O-CB 3.31Å; V136-A140 WeakPolarHBondContact O-CB 3.05Å; V136-A140 PolarHBondContact O-N 2.83Å; S137-A140 PolarHBondContact O-N 3.42Å; A140-M142 VanDerWaalsContact C-N 3.34Å; A140-M142 PolarHBondContact O-N 3.16Å; A140-L143 WeakPolarHBondContact O-CB 3.45Å; A140-L143 PolarHBondContact O-N 3.06Å; A140-V144 WeakPolarHBondContact O-CG2 3.23Å; A140-V144 PolarHBondContact O-N 2.66Å; A140-F167 HydrophobicContact CB-CD1 4.33Å; A140-F167 HydrophobicContact CB-CE1 3.67Å |
| 141 | N | 91.3 | Very high | 87.3 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.9 | -41.9 | 176.9 | -173.7 | 59.6 | 0 | 0 | 0 | 111.6 | S137 V138 F139 L143 V144 T145 | S137-N141 WeakPolarHBondContact O-CB 3.48Å; S137-N141 PolarHBondContact O-N 2.94Å; V138-N141 PolarHBondContact O-N 3.04Å; F139-N141 VanDerWaalsContact C-N 3.33Å; F139-N141 PolarHBondContact O-N 3.25Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 2.78Å; N141-V144 PolarHBondContact O-N 3.37Å; N141-T145 PolarHBondContact O-N 2.92Å; N141-T145 PolarHBondContact O-OG1 2.88Å |
| 142 | M | 86.3 | Confident | 86 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.4 | 178.4 | 179.7 | 168.6 | 0 | 0 | 111.7 | P73 M75 F76 V138 F139 A140 T145 N146 | P73-M142 HydrophobicContact CB-CE 4.37Å; P73-M142 HydrophobicContact CG-CE 4.26Å; M75-M142 HydrophobicContact CB-SD 4.42Å; F76-M142 HydrophobicContact CD2-CE 3.81Å; F76-M142 HydrophobicContact CD2-SD 3.77Å; F76-M142 HydrophobicContact CE2-CE 3.73Å; F76-M142 HydrophobicContact CE2-SD 3.91Å; V138-M142 PolarHBondContact O-N 3.45Å; F139-M142 WeakPolarHBondContact O-CB 3.48Å; F139-M142 PolarHBondContact O-N 3.27Å; A140-M142 VanDerWaalsContact C-N 3.34Å; A140-M142 PolarHBondContact O-N 3.16Å; M142-T145 PolarHBondContact O-N 3.28Å; M142-N146 WeakPolarHBondContact CG-ND2 3.38Å; M142-N146 WeakPolarHBondContact O-CB 3.26Å; M142-N146 PolarHBondContact O-N 2.94Å; M142-N146 PolarHBondContact O-ND2 3.19Å |
| 143 | L | 85.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.8 | -95.1 | 59.9 | 0 | 0 | 0 | 111.5 | F139 A140 N141 N146 F147 T166 F167 L171 | F139-L143 HydrophobicContact CD1-CD1 3.59Å; F139-L143 HydrophobicContact CD1-CD2 4.37Å; F139-L143 HydrophobicContact CE1-CD1 3.27Å; F139-L143 HydrophobicContact CE1-CD2 4.02Å; F139-L143 HydrophobicContact CE1-CG 4.29Å; F139-L143 HydrophobicContact CG-CD1 4.44Å; F139-L143 HydrophobicContact CZ-CD1 3.89Å; F139-L143 WeakPolarHBondContact O-CD1 3.27Å; F139-L143 PolarHBondContact O-N 3.49Å; A140-L143 WeakPolarHBondContact O-CB 3.45Å; A140-L143 PolarHBondContact O-N 3.06Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 2.78Å; L143-N146 PolarHBondContact O-N 3.43Å; L143-F147 WeakPolarHBondContact O-CB 3.49Å; L143-F147 PolarHBondContact O-N 2.9Å; L143-T166 WeakPolarHBondContact CD2-O 3.46Å; L143-F167 HydrophobicContact CB-CE1 4.49Å; L143-F167 HydrophobicContact CD2-CD1 4.1Å; L143-L171 HydrophobicContact CD2-CD1 4.15Å |
| 144 | V | 86.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | A140 N141 N146 F147 W148 F167 | A140-V144 WeakPolarHBondContact O-CG2 3.23Å; A140-V144 PolarHBondContact O-N 2.66Å; N141-V144 PolarHBondContact O-N 3.37Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 3.36Å; V144-F147 WeakPolarHBondContact O-CB 3.4Å; V144-F147 PolarHBondContact O-N 3.5Å; V144-F147 VanDerWaalsContact O-N 3.1Å; V144-W148 PolarHBondContact O-N 2.92Å; V144-F167 HydrophobicContact CG2-CE1 4.12Å; V144-F167 HydrophobicContact CG2-CE2 4.41Å; V144-F167 HydrophobicContact CG2-CZ 3.5Å; V144-F167 VanDerWaalsContact CG2-CZ 3.5Å |
| 145 | T | 84.2 | Confident | 81.1 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 178.7 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | N141 M142 F147 W148 M149 | N141-T145 PolarHBondContact O-N 2.92Å; N141-T145 PolarHBondContact O-OG1 2.88Å; M142-T145 PolarHBondContact O-N 3.28Å; T145-F147 VanDerWaalsContact C-N 3.34Å; T145-F147 PolarHBondContact O-N 2.76Å; T145-W148 PolarHBondContact O-N 3.27Å; T145-M149 WeakPolarHBondContact O-CB 3.21Å; T145-M149 PolarHBondContact O-N 2.98Å |
| 146 | N | 80.3 | Confident | 79.6 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.4 | -78.2 | -58.7 | 0 | 0 | 0 | 112.3 | M142 L143 V144 S150 | M142-N146 WeakPolarHBondContact CG-ND2 3.38Å; M142-N146 WeakPolarHBondContact O-CB 3.26Å; M142-N146 PolarHBondContact O-N 2.94Å; M142-N146 PolarHBondContact O-ND2 3.19Å; L143-N146 PolarHBondContact O-N 3.43Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 3.36Å; N146-S150 WeakPolarHBondContact O-CB 3.26Å; N146-S150 PolarHBondContact O-N 3.47Å |
| 147 | F | 79.1 | Confident | 77.7 | Confident | 61 Ų | 61 | 70 Ų | 70 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.3 | -171.7 | -85.1 | 0 | 0 | 0 | 112.3 | L143 V144 T145 S150 T151 R164 | L143-F147 WeakPolarHBondContact O-CB 3.49Å; L143-F147 PolarHBondContact O-N 2.9Å; V144-F147 WeakPolarHBondContact O-CB 3.4Å; V144-F147 PolarHBondContact O-N 3.5Å; V144-F147 VanDerWaalsContact O-N 3.1Å; T145-F147 VanDerWaalsContact C-N 3.34Å; T145-F147 PolarHBondContact O-N 2.76Å; F147-S150 PolarHBondContact O-N 2.97Å; F147-T151 WeakPolarHBondContact O-CB 3.49Å; F147-T151 PolarHBondContact O-N 3.38Å; F147-T151 PolarHBondContact O-OG1 3.05Å; F147-R164 HydrophobicContact CD2-CB 4.05Å; F147-R164 HydrophobicContact CD2-CG 4.38Å; F147-R164 HydrophobicContact CE2-CB 3.98Å; F147-R164 HydrophobicContact CE2-CG 4.25Å |
| 148 | W | 78.7 | Confident | 75.8 | Confident | 183 Ų | 183 | 74.1 Ų | 74.1 | 69% | 0.693 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 177.4 | -78.7 | 98.3 | 0 | 0 | 0 | 112.3 | V144 T145 S150 T151 A152 | V144-W148 PolarHBondContact O-N 2.92Å; T145-W148 PolarHBondContact O-N 3.27Å; W148-S150 VanDerWaalsContact C-N 3.34Å; W148-S150 PolarHBondContact O-N 2.89Å; W148-T151 PolarHBondContact O-N 2.89Å; W148-A152 PolarHBondContact O-N 3.13Å |
| 149 | M | 75.9 | Confident | 73.6 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 59% | 0.586 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 176.8 | -163.2 | 84.6 | -175.3 | 0 | 0 | 111.2 | T145 T151 A152 N153 | T145-M149 WeakPolarHBondContact O-CB 3.21Å; T145-M149 PolarHBondContact O-N 2.98Å; M149-T151 VanDerWaalsContact C-N 3.33Å; M149-T151 PolarHBondContact O-N 3.29Å; M149-A152 PolarHBondContact O-N 3.47Å; M149-N153 PolarHBondContact O-N 2.88Å; M149-N153 VanDerWaalsContact O-N 3.17Å; M149-N153 PolarHBondContact O-ND2 2.87Å |
| 150 | S | 71.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 86.2 Ų | 86.2 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 174 | 170.8 | 0 | 0 | 0 | 0 | 112 | N146 F147 W148 M154 Q162 | N146-S150 WeakPolarHBondContact O-CB 3.26Å; N146-S150 PolarHBondContact O-N 3.47Å; F147-S150 PolarHBondContact O-N 2.97Å; W148-S150 VanDerWaalsContact C-N 3.34Å; W148-S150 PolarHBondContact O-N 2.89Å; S150-M154 PolarHBondContact O-N 2.87Å; S150-Q162 WeakPolarHBondContact OG-CB 3.39Å; S150-Q162 WeakPolarHBondContact OG-CG 3.33Å |
| 151 | T | 70.6 | Confident | 69.9 | Low | 25 Ų | 25 | 92.1 Ų | 92.1 | 15% | 0.153 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | F147 W148 M149 N153 M154 Y155 | F147-T151 WeakPolarHBondContact O-CB 3.49Å; F147-T151 PolarHBondContact O-N 3.38Å; F147-T151 PolarHBondContact O-OG1 3.05Å; W148-T151 PolarHBondContact O-N 2.89Å; M149-T151 VanDerWaalsContact C-N 3.33Å; M149-T151 PolarHBondContact O-N 3.29Å; T151-N153 PolarHBondContact O-N 2.98Å; T151-M154 WeakPolarHBondContact O-CB 3.47Å; T151-M154 PolarHBondContact O-N 2.89Å; T151-Y155 HydrophobicContact CG2-CD2 4.12Å; T151-Y155 HydrophobicContact CG2-CE2 3.72Å; T151-Y155 VanDerWaalsContact O-CD2 3.22Å; T151-Y155 WeakPolarHBondContact O-CD2 3.36Å; T151-Y155 PolarHBondContact O-N 3.2Å |
| 152 | A | 68.6 | Low | 68.1 | Low | 51 Ų | 51 | 92.3 Ų | 92.3 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W148 M149 M154 Y155 Q156 | W148-A152 PolarHBondContact O-N 3.13Å; M149-A152 PolarHBondContact O-N 3.47Å; A152-M154 VanDerWaalsContact C-N 3.29Å; A152-M154 PolarHBondContact O-N 2.84Å; A152-Y155 PolarHBondContact O-N 2.93Å; A152-Q156 PolarHBondContact O-N 3.04Å |
| 153 | N | 65.1 | Low | 67 | Low | 48 Ų | 48 | 93 Ų | 93 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -31.3 | 178.4 | -72 | -45.4 | 0 | 0 | 0 | 112.9 | M149 T151 Q156 | M149-N153 PolarHBondContact O-N 2.88Å; M149-N153 VanDerWaalsContact O-N 3.17Å; M149-N153 PolarHBondContact O-ND2 2.87Å; T151-N153 PolarHBondContact O-N 2.98Å; N153-Q156 PolarHBondContact O-N 3.19Å |
| 154 | M | 60.8 | Low | 66.3 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.4 | -176.1 | -175 | -89.3 | 0 | 0 | 111.6 | D37 S150 T151 A152 Q156 G157 R164 | D37-M154 WeakPolarHBondContact OD2-CE 3.45Å; S150-M154 PolarHBondContact O-N 2.87Å; T151-M154 WeakPolarHBondContact O-CB 3.47Å; T151-M154 PolarHBondContact O-N 2.89Å; A152-M154 VanDerWaalsContact C-N 3.29Å; A152-M154 PolarHBondContact O-N 2.84Å; M154-Q156 VanDerWaalsContact C-N 3.27Å; M154-Q156 PolarHBondContact O-N 2.96Å; M154-G157 PolarHBondContact O-N 2.87Å; M154-R164 PolarHBondContact SD-NH2 2.97Å |
| 155 | Y | 59.6 | Low | 65.7 | Low | 198 Ų | 198 | 94.4 Ų | 94.4 | 78% | 0.776 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.3 | -22.2 | 176.3 | -77 | -77.5 | 0 | 0 | 0 | 113.6 | T151 A152 G157 | T151-Y155 HydrophobicContact CG2-CD2 4.12Å; T151-Y155 HydrophobicContact CG2-CE2 3.72Å; T151-Y155 VanDerWaalsContact O-CD2 3.22Å; T151-Y155 WeakPolarHBondContact O-CD2 3.36Å; T151-Y155 PolarHBondContact O-N 3.2Å; A152-Y155 PolarHBondContact O-N 2.93Å; Y155-G157 VanDerWaalsContact C-N 3.33Å |
| 156 | Q | 62.3 | Low | 65.7 | Low | 158 Ų | 158 | 93.1 Ų | 93.1 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7.6 | 178.5 | -69 | -172.4 | -19 | 0 | 0 | 114 | A152 N153 M154 M158 | A152-Q156 PolarHBondContact O-N 3.04Å; N153-Q156 PolarHBondContact O-N 3.19Å; M154-Q156 VanDerWaalsContact C-N 3.27Å; M154-Q156 PolarHBondContact O-N 2.96Å; Q156-M158 PolarHBondContact O-N 3.49Å |
| 157 | G | 55.2 | Low | 66 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 6.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | M154 Y155 Q159 | M154-G157 PolarHBondContact O-N 2.87Å; Y155-G157 VanDerWaalsContact C-N 3.33Å; G157-Q159 PolarHBondContact O-N 3.39Å; G157-Q159 VanDerWaalsContact O-N 3.1Å |
| 158 | M | 55.2 | Low | 66.5 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | trans | -81.9 | 88.5 | 173.9 | -166.7 | 171.5 | -74.4 | 0 | 0 | 108.7 | Q156 N160 | Q156-M158 PolarHBondContact O-N 3.49Å; M158-N160 PolarHBondContact O-N 2.96Å | ||
| 159 | Q | 48.2 | Very low | 67.1 | Low | 189 Ų | 189 | 84.3 Ų | 84.3 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | trans | -67.9 | 69.1 | -178.6 | -67.6 | -139.4 | -36.2 | 0 | 0 | 113 | G157 | G157-Q159 PolarHBondContact O-N 3.39Å; G157-Q159 VanDerWaalsContact O-N 3.1Å | ||
| 160 | N | 51.1 | Low | 67.9 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | trans | -96.6 | 123.4 | 155.9 | -67.4 | -67.9 | 0 | 0 | 0 | 106.8 | M158 Q162 | M158-N160 PolarHBondContact O-N 2.96Å; N160-Q162 PolarHBondContact O-N 3.48Å | ||
| 161 | I | 52.6 | Low | 68.9 | Low | 137 Ų | 137 | 78.5 Ų | 78.5 | 70% | 0.703 | 41% | 0.405 | S | S | * | . | trans | -62.5 | 81.6 | 173.2 | -60.6 | 163.7 | 0 | 0 | 0 | 107 | N38 T163 | N38-I161 VanDerWaalsContact ND2-CG2 3.3Å; N38-I161 WeakPolarHBondContact ND2-CG2 3.29Å; I161-T163 PolarHBondContact O-N 3.49Å | ||
| 162 | Q | 54.6 | Low | 70.1 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | trans | -85.2 | 103.5 | -172.1 | -161.2 | 88 | -16 | 0 | 0 | 107.2 | S150 N160 R164 | S150-Q162 WeakPolarHBondContact OG-CB 3.39Å; S150-Q162 WeakPolarHBondContact OG-CG 3.33Å; N160-Q162 PolarHBondContact O-N 3.48Å; Q162-R164 PolarHBondContact O-N 3.31Å | ||
| 163 | T | 61.3 | Low | 71.4 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | trans | -56.1 | 112 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | I161 Y165 | I161-T163 PolarHBondContact O-N 3.49Å; T163-Y165 WeakPolarHBondContact O-CD2 3.39Å; T163-Y165 WeakPolarHBondContact O-CE2 3.41Å; T163-Y165 WeakPolarHBondContact OG1-CE2 3.22Å | ||
| 164 | R | 70.6 | Confident | 72.8 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | trans | -78.4 | 137.1 | 177.2 | -65.6 | -172.8 | -177.3 | 168.2 | 2.4 | 109.3 | Q33 D34 F147 M154 Q162 | Q33-R164 CarbonylContact C-O 3.5Å; Q33-R164 WeakPolarHBondContact CA-O 3.42Å; D34-R164 HydrophobicContact CB-CB 4.09Å; D34-R164 PolarHBondContact N-O 2.82Å; F147-R164 HydrophobicContact CD2-CB 4.05Å; F147-R164 HydrophobicContact CD2-CG 4.38Å; F147-R164 HydrophobicContact CE2-CB 3.98Å; F147-R164 HydrophobicContact CE2-CG 4.25Å; M154-R164 PolarHBondContact SD-NH2 2.97Å; Q162-R164 PolarHBondContact O-N 3.31Å | ||
| 165 | Y | 75.2 | Confident | 74.6 | Confident | 49 Ų | 49 | 81.9 Ų | 81.9 | 19% | 0.192 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.4 | 174.7 | -67.2 | -91.1 | 0 | 0 | 0 | 110.3 | T32 Q33 Q45 Q47 T163 | T32-Y165 CarbonylContact O-C 3Å; T32-Y165 VanDerWaalsContact O-CA 3.3Å; T32-Y165 WeakPolarHBondContact O-CA 3.31Å; Q33-Y165 HydrophobicContact CB-CD1 4.46Å; Q33-Y165 HydrophobicContact CB-CE1 4.34Å; Q45-Y165 VanDerWaalsContact CD-OH 3.29Å; Q45-Y165 HydrophobicContact CG-CE1 4.33Å; Q45-Y165 PolarHBondContact NE2-OH 2.62Å; Q45-Y165 PolarHBondContact OE1-OH 2.86Å; Q47-Y165 HydrophobicContact CG-CE1 3.99Å; Q47-Y165 VanDerWaalsContact NE2-CE1 3.35Å; Q47-Y165 PolarHBondContact NE2-OH 3.41Å; T163-Y165 WeakPolarHBondContact O-CD2 3.39Å; T163-Y165 WeakPolarHBondContact O-CE2 3.41Å; T163-Y165 WeakPolarHBondContact OG1-CE2 3.22Å |
| 166 | T | 84.3 | Confident | 76.4 | Confident | 50 Ų | 50 | 77 Ų | 77 | 31% | 0.307 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 170.3 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | S31 T32 D34 L143 G168 | S31-T166 WeakPolarHBondContact CA-O 3.46Å; T32-T166 PolarHBondContact N-O 2.8Å; T32-T166 PolarHBondContact O-N 3.3Å; T32-T166 PolarHBondContact O-OG1 2.82Å; T32-T166 VanDerWaalsContact O-OG1 3.12Å; T32-T166 PolarHBondContact OG1-OG1 3.3Å; D34-T166 HydrophobicContact CB-CG2 4.02Å; L143-T166 WeakPolarHBondContact CD2-O 3.46Å; T166-G168 PolarHBondContact O-N 2.98Å |
| 167 | F | 86.8 | Confident | 78 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 123.5 | 179.8 | -61.2 | -65 | 0 | 0 | 0 | 111.6 | A140 L143 V144 L171 F172 | A140-F167 HydrophobicContact CB-CD1 4.33Å; A140-F167 HydrophobicContact CB-CE1 3.67Å; L143-F167 HydrophobicContact CB-CE1 4.49Å; L143-F167 HydrophobicContact CD2-CD1 4.1Å; V144-F167 HydrophobicContact CG2-CE1 4.12Å; V144-F167 HydrophobicContact CG2-CE2 4.41Å; V144-F167 HydrophobicContact CG2-CZ 3.5Å; V144-F167 VanDerWaalsContact CG2-CZ 3.5Å; F167-L171 HydrophobicContact CB-CD1 4.23Å; F167-L171 HydrophobicContact CD1-CD1 3.62Å; F167-L171 HydrophobicContact CG-CD1 4.41Å; F167-F172 HydrophobicContact CB-CE2 4.12Å; F167-F172 HydrophobicContact CB-CZ 4.14Å |
| 168 | G | 88.8 | Confident | 80 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -80.7 | 163.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | M29 W30 T166 A170 L171 F172 | M29-G168 CarbonylContact O-C 3.57Å; M29-G168 VanDerWaalsContact O-C 3.23Å; M29-G168 VanDerWaalsContact O-CA 3.23Å; M29-G168 WeakPolarHBondContact O-CA 3.37Å; W30-G168 WeakPolarHBondContact O-CA 3.4Å; W30-G168 PolarHBondContact O-N 3Å; T166-G168 PolarHBondContact O-N 2.98Å; G168-A170 PolarHBondContact O-N 3.22Å; G168-L171 PolarHBondContact O-N 3.3Å; G168-F172 WeakPolarHBondContact O-CD2 3.49Å | ||
| 169 | S | 91.4 | Very high | 82 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.8 | -31.8 | -179.4 | 57 | 0 | 0 | 0 | 0 | 113.3 | M27 M29 L171 F172 V173 | M27-S169 VanDerWaalsContact CE-OG 3.29Å; M27-S169 WeakPolarHBondContact CE-OG 3.5Å; M29-S169 PolarHBondContact O-N 2.93Å; S169-L171 PolarHBondContact O-N 3.36Å; S169-F172 PolarHBondContact O-N 3.42Å; S169-V173 PolarHBondContact O-N 3.42Å |
| 170 | A | 93.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -29.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S24 M27 M29 W30 G168 V173 G174 | S24-A170 PolarHBondContact OG-O 3.5Å; M27-A170 HydrophobicContact CB-CB 3.73Å; M27-A170 HydrophobicContact CE-CB 4.38Å; M27-A170 HydrophobicContact SD-CB 4.25Å; M29-A170 WeakPolarHBondContact O-CB 3.43Å; M29-A170 PolarHBondContact O-N 3.16Å; W30-A170 VanDerWaalsContact CD1-CB 3.44Å; W30-A170 HydrophobicContact CD2-CB 4.49Å; W30-A170 HydrophobicContact CG-CB 4.01Å; G168-A170 PolarHBondContact O-N 3.22Å; A170-V173 PolarHBondContact O-N 3.42Å; A170-G174 PolarHBondContact O-N 2.85Å |
| 171 | L | 92.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 177.9 | -64 | 175.9 | 0 | 0 | 0 | 111.1 | W30 V136 F139 L143 F167 G168 S169 V173 G174 W175 | W30-L171 HydrophobicContact CD2-CD2 4.17Å; W30-L171 HydrophobicContact CE3-CD2 3.46Å; W30-L171 VanDerWaalsContact CE3-CD2 3.46Å; W30-L171 HydrophobicContact CZ3-CD2 3.79Å; W30-L171 VanDerWaalsContact O-CD1 3.27Å; W30-L171 WeakPolarHBondContact O-CD1 3.47Å; W30-L171 WeakPolarHBondContact O-CG 3.25Å; V136-L171 HydrophobicContact CG1-CB 4.02Å; V136-L171 HydrophobicContact CG1-CD2 3.71Å; V136-L171 HydrophobicContact CG1-CG 4.48Å; V136-L171 WeakPolarHBondContact CG1-O 3.33Å; F139-L171 HydrophobicContact CB-CD2 4.3Å; F139-L171 HydrophobicContact CD1-CD1 4.06Å; F139-L171 HydrophobicContact CD1-CD2 3.61Å; F139-L171 HydrophobicContact CD1-CG 4.38Å; F139-L171 HydrophobicContact CE1-CD1 4.41Å; F139-L171 HydrophobicContact CE1-CD2 4.28Å; F139-L171 HydrophobicContact CG-CD2 4.23Å; L143-L171 HydrophobicContact CD2-CD1 4.15Å; F167-L171 HydrophobicContact CB-CD1 4.23Å; F167-L171 HydrophobicContact CD1-CD1 3.62Å; F167-L171 HydrophobicContact CG-CD1 4.41Å; G168-L171 PolarHBondContact O-N 3.3Å; S169-L171 PolarHBondContact O-N 3.36Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 PolarHBondContact O-N 2.99Å; L171-G174 PolarHBondContact O-N 3.34Å; L171-G174 VanDerWaalsContact O-N 3.16Å; L171-W175 PolarHBondContact O-N 2.86Å |
| 172 | F | 94.8 | Very high | 88.6 | Confident | 127 Ų | 127 | 45.9 Ų | 45.9 | 56% | 0.557 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.5 | -42.8 | 177.1 | -59.8 | -76.9 | 0 | 0 | 0 | 111.5 | F167 G168 S169 G174 W175 V176 | F167-F172 HydrophobicContact CB-CE2 4.12Å; F167-F172 HydrophobicContact CB-CZ 4.14Å; G168-F172 WeakPolarHBondContact O-CD2 3.49Å; S169-F172 PolarHBondContact O-N 3.42Å; F172-G174 VanDerWaalsContact C-N 3.31Å; F172-G174 PolarHBondContact O-N 3.01Å; F172-W175 PolarHBondContact O-N 2.9Å; F172-V176 WeakPolarHBondContact O-CG2 3.39Å; F172-V176 PolarHBondContact O-N 3.06Å |
| 173 | V | 95.4 | Very high | 90.6 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.6 | -43 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | M27 S169 A170 L171 V176 A177 | M27-V173 HydrophobicContact SD-CG2 4.29Å; S169-V173 PolarHBondContact O-N 3.42Å; A170-V173 PolarHBondContact O-N 3.42Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 PolarHBondContact O-N 2.99Å; V173-V176 PolarHBondContact O-N 3.28Å; V173-A177 WeakPolarHBondContact O-CB 3.31Å; V173-A177 PolarHBondContact O-N 2.9Å |
| 174 | G | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S24 A170 L171 F172 A177 G178 | S24-G174 WeakPolarHBondContact OG-CA 3.4Å; S24-G174 PolarHBondContact OG-N 2.97Å; A170-G174 PolarHBondContact O-N 2.85Å; L171-G174 PolarHBondContact O-N 3.34Å; L171-G174 VanDerWaalsContact O-N 3.16Å; F172-G174 VanDerWaalsContact C-N 3.31Å; F172-G174 PolarHBondContact O-N 3.01Å; G174-A177 PolarHBondContact O-N 3.04Å; G174-G178 PolarHBondContact O-N 3.41Å |
| 175 | W | 97.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 40.3 Ų | 40.3 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.9 | -82.9 | 111.4 | 0 | 0 | 0 | 112.5 | I133 V136 S137 L171 F172 G179 | I133-W175 HydrophobicContact CB-CZ3 4.36Å; I133-W175 HydrophobicContact CG1-CE3 4.15Å; I133-W175 HydrophobicContact CG1-CZ3 4.36Å; I133-W175 HydrophobicContact CG2-CE3 4.02Å; I133-W175 HydrophobicContact CG2-CH2 3.98Å; I133-W175 HydrophobicContact CG2-CZ3 3.41Å; I133-W175 VanDerWaalsContact CG2-CZ3 3.41Å; V136-W175 VanDerWaalsContact CG1-CD1 3.41Å; V136-W175 HydrophobicContact CG1-CD2 4.38Å; V136-W175 HydrophobicContact CG1-CG 4.02Å; S137-W175 WeakPolarHBondContact OG-CH2 3.42Å; S137-W175 WeakPolarHBondContact OG-CZ2 3.41Å; L171-W175 PolarHBondContact O-N 2.86Å; F172-W175 PolarHBondContact O-N 2.9Å; W175-G179 PolarHBondContact O-N 3.4Å |
| 176 | V | 97.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 42 Ų | 42 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.3 | -45.6 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | F172 V173 G179 L180 | F172-V176 WeakPolarHBondContact O-CG2 3.39Å; F172-V176 PolarHBondContact O-N 3.06Å; V173-V176 PolarHBondContact O-N 3.28Å; V176-G179 PolarHBondContact O-N 3.48Å; V176-L180 HydrophobicContact CG1-CD1 4Å; V176-L180 HydrophobicContact CG1-CG 4.34Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.02Å; V176-L180 PolarHBondContact O-N 3.46Å |
| 177 | A | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G17 V173 G174 G179 L180 A181 | G17-A177 VanDerWaalsContact CA-O 3.3Å; G17-A177 WeakPolarHBondContact CA-O 3.34Å; G17-A177 WeakPolarHBondContact O-CB 3.41Å; V173-A177 WeakPolarHBondContact O-CB 3.31Å; V173-A177 PolarHBondContact O-N 2.9Å; G174-A177 PolarHBondContact O-N 3.04Å; A177-G179 VanDerWaalsContact C-N 3.33Å; A177-G179 PolarHBondContact O-N 3.18Å; A177-L180 PolarHBondContact O-N 3.16Å; A177-A181 WeakPolarHBondContact O-CB 2.85Å; A177-A181 PolarHBondContact O-N 2.88Å |
| 178 | G | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G174 A181 L182 | G174-G178 PolarHBondContact O-N 3.41Å; G178-A181 PolarHBondContact O-N 2.83Å; G178-L182 PolarHBondContact O-N 3.3Å |
| 179 | G | 97.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W175 V176 A177 L182 I183 | W175-G179 PolarHBondContact O-N 3.4Å; V176-G179 PolarHBondContact O-N 3.48Å; A177-G179 VanDerWaalsContact C-N 3.33Å; A177-G179 PolarHBondContact O-N 3.18Å; G179-L182 WeakPolarHBondContact O-CB 3.39Å; G179-L182 PolarHBondContact O-N 2.74Å; G179-I183 VanDerWaalsContact O-CG1 3.28Å; G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 2.76Å |
| 180 | L | 97.3 | Very high | 95 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.5 | -69.9 | 172.7 | 0 | 0 | 0 | 111.3 | V13 V176 A177 L182 I183 G184 | V13-L180 HydrophobicContact CG1-CB 4.3Å; V13-L180 HydrophobicContact CG1-CD2 4.16Å; V13-L180 VanDerWaalsContact CG1-O 3.3Å; V13-L180 WeakPolarHBondContact CG1-O 3.36Å; V176-L180 HydrophobicContact CG1-CD1 4Å; V176-L180 HydrophobicContact CG1-CG 4.34Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.02Å; V176-L180 PolarHBondContact O-N 3.46Å; A177-L180 PolarHBondContact O-N 3.16Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.89Å; L180-I183 PolarHBondContact O-N 3.35Å; L180-G184 PolarHBondContact O-N 3.03Å |
| 181 | A | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A177 G178 G185 | A177-A181 WeakPolarHBondContact O-CB 2.85Å; A177-A181 PolarHBondContact O-N 2.88Å; G178-A181 PolarHBondContact O-N 2.83Å; A181-G185 PolarHBondContact O-N 3.2Å |
| 182 | L | 97 | Very high | 94.1 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -52.2 | 174.2 | -94.5 | 177.2 | 0 | 0 | 0 | 112.3 | I126 L130 I133 G178 G179 L180 G184 G185 I186 | I126-L182 HydrophobicContact CB-CD2 4.26Å; I126-L182 HydrophobicContact CG1-CD2 4.41Å; I126-L182 HydrophobicContact CG2-CD2 3.81Å; L130-L182 HydrophobicContact CD2-CD1 4.14Å; L130-L182 HydrophobicContact CD2-CD2 4.17Å; L130-L182 HydrophobicContact CG-CD2 4.03Å; I133-L182 HydrophobicContact CD1-CD1 3.43Å; I133-L182 VanDerWaalsContact CD1-CD1 3.43Å; I133-L182 HydrophobicContact CD1-CG 4.4Å; G178-L182 PolarHBondContact O-N 3.3Å; G179-L182 WeakPolarHBondContact O-CB 3.39Å; G179-L182 PolarHBondContact O-N 2.74Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.89Å; L182-G184 PolarHBondContact O-N 2.79Å; L182-G185 PolarHBondContact O-N 2.76Å; L182-I186 VanDerWaalsContact O-CG1 3.32Å; L182-I186 WeakPolarHBondContact O-CG1 3.42Å; L182-I186 PolarHBondContact O-N 3.12Å |
| 183 | I | 96.8 | Very high | 93.2 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 48% | 0.482 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | -178 | -68.1 | 165.7 | 0 | 0 | 0 | 110.1 | G179 L180 G185 I186 M187 | G179-I183 VanDerWaalsContact O-CG1 3.28Å; G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 2.76Å; L180-I183 PolarHBondContact O-N 3.35Å; I183-G185 VanDerWaalsContact C-N 3.33Å; I183-G185 PolarHBondContact O-N 3.01Å; I183-I186 PolarHBondContact O-N 3.5Å; I183-M187 HydrophobicContact CG2-SD 4.19Å; I183-M187 WeakPolarHBondContact O-CG 3.5Å; I183-M187 PolarHBondContact O-N 3.45Å |
| 184 | G | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S14 L180 L182 M187 M188 | S14-G184 VanDerWaalsContact OG-CA 3.27Å; S14-G184 WeakPolarHBondContact OG-CA 3.42Å; L180-G184 PolarHBondContact O-N 3.03Å; L182-G184 PolarHBondContact O-N 2.79Å; G184-M187 PolarHBondContact O-N 3.42Å; G184-M188 WeakPolarHBondContact O-CG 3.42Å; G184-M188 PolarHBondContact O-N 2.99Å |
| 185 | G | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S14 A181 L182 I183 M188 C189 | S14-G185 PolarHBondContact OG-N 3.38Å; A181-G185 PolarHBondContact O-N 3.2Å; L182-G185 PolarHBondContact O-N 2.76Å; I183-G185 VanDerWaalsContact C-N 3.33Å; I183-G185 PolarHBondContact O-N 3.01Å; G185-M188 WeakPolarHBondContact O-CB 3.43Å; G185-M188 PolarHBondContact O-N 3.44Å; G185-C189 PolarHBondContact O-N 3.19Å; G185-C189 PolarHBondContact O-SG 3.03Å |
| 186 | I | 95.1 | Very high | 88.6 | Confident | 84 Ų | 84 | 45 Ų | 45 | 43% | 0.431 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 174.6 | -67.1 | 164.9 | 0 | 0 | 0 | 110.5 | I126 L182 I183 M188 C189 L190 | I126-I186 HydrophobicContact CD1-CG1 4.1Å; I126-I186 HydrophobicContact CG1-CG1 4.3Å; L182-I186 VanDerWaalsContact O-CG1 3.32Å; L182-I186 WeakPolarHBondContact O-CG1 3.42Å; L182-I186 PolarHBondContact O-N 3.12Å; I183-I186 PolarHBondContact O-N 3.5Å; I186-M188 VanDerWaalsContact C-N 3.3Å; I186-M188 PolarHBondContact O-N 3.48Å; I186-C189 PolarHBondContact O-N 2.82Å; I186-L190 HydrophobicContact CG2-CD1 4.06Å; I186-L190 HydrophobicContact CG2-CG 4.38Å; I186-L190 WeakPolarHBondContact O-CG 3.41Å; I186-L190 PolarHBondContact O-N 3.29Å |
| 187 | M | 93.1 | Very high | 86.5 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 176.3 | -71.3 | 179.6 | 68.5 | 0 | 0 | 111.9 | C6 M9 I183 G184 L190 A191 | C6-M187 PolarHBondContact SG-O 3.02Å; C6-M187 VanDerWaalsContact SG-O 3.41Å; M9-M187 HydrophobicContact CB-CE 3.62Å; I183-M187 HydrophobicContact CG2-SD 4.19Å; I183-M187 WeakPolarHBondContact O-CG 3.5Å; I183-M187 PolarHBondContact O-N 3.45Å; G184-M187 PolarHBondContact O-N 3.42Å; M187-L190 PolarHBondContact O-N 2.9Å; M187-A191 WeakPolarHBondContact O-CB 3.3Å; M187-A191 PolarHBondContact O-N 3.25Å |
| 188 | M | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.5 | -81.3 | -84 | 163.9 | 0 | 0 | 112.6 | Q7 F11 C97 T118 G184 G185 I186 L190 A191 C192 | Q7-M188 HydrophobicContact CG-CE 4.06Å; Q7-M188 HydrophobicContact CG-SD 4.16Å; Q7-M188 WeakPolarHBondContact O-CE 3.42Å; F11-M188 VanDerWaalsContact CA-CE 3.46Å; F11-M188 HydrophobicContact CB-CE 3.48Å; F11-M188 VanDerWaalsContact CB-CE 3.48Å; C97-M188 WeakPolarHBondContact SG-CE 3.39Å; C97-M188 VanDerWaalsContact SG-SD 3.62Å; T118-M188 HydrophobicContact CG2-SD 3.65Å; G184-M188 WeakPolarHBondContact O-CG 3.42Å; G184-M188 PolarHBondContact O-N 2.99Å; G185-M188 WeakPolarHBondContact O-CB 3.43Å; G185-M188 PolarHBondContact O-N 3.44Å; I186-M188 VanDerWaalsContact C-N 3.3Å; I186-M188 PolarHBondContact O-N 3.48Å; M188-L190 VanDerWaalsContact C-N 3.32Å; M188-L190 PolarHBondContact O-N 3.22Å; M188-A191 PolarHBondContact O-N 2.94Å; M188-C192 PolarHBondContact O-N 2.97Å |
| 189 | C | 91.4 | Very high | 82 | Confident | 25 Ų | 25 | 62 Ų | 62 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.1 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | L119 G185 I186 C192 R193 | L119-C189 HydrophobicContact CD1-CB 4.33Å; G185-C189 PolarHBondContact O-N 3.19Å; G185-C189 PolarHBondContact O-SG 3.03Å; I186-C189 PolarHBondContact O-N 2.82Å; C189-C192 PolarHBondContact O-N 3.44Å; C189-R193 PolarHBondContact O-N 2.9Å |
| 190 | L | 89.3 | Confident | 79.4 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 56% | 0.555 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 176 | -67 | 174.9 | 0 | 0 | 0 | 112 | I186 M187 M188 C192 R193 G194 | I186-L190 HydrophobicContact CG2-CD1 4.06Å; I186-L190 HydrophobicContact CG2-CG 4.38Å; I186-L190 WeakPolarHBondContact O-CG 3.41Å; I186-L190 PolarHBondContact O-N 3.29Å; M187-L190 PolarHBondContact O-N 2.9Å; M188-L190 VanDerWaalsContact C-N 3.32Å; M188-L190 PolarHBondContact O-N 3.22Å; L190-C192 VanDerWaalsContact C-N 3.27Å; L190-C192 PolarHBondContact O-N 3.48Å; L190-R193 PolarHBondContact O-N 2.71Å; L190-G194 PolarHBondContact O-N 3.05Å |
| 191 | A | 86.1 | Confident | 76.7 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C6 Q7 M187 M188 G194 L195 | C6-A191 HydrophobicContact CB-CB 4.18Å; Q7-A191 HydrophobicContact CB-CB 4.02Å; M187-A191 WeakPolarHBondContact O-CB 3.3Å; M187-A191 PolarHBondContact O-N 3.25Å; M188-A191 PolarHBondContact O-N 2.94Å; A191-G194 PolarHBondContact O-N 3.34Å; A191-L195 WeakPolarHBondContact O-CD1 3.43Å; A191-L195 VanDerWaalsContact O-CG 3.31Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 3.31Å |
| 192 | C | 80.6 | Confident | 74.2 | Confident | 4 Ų | 4 | 79.5 Ų | 79.5 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.7 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | A115 L119 M188 C189 L190 G194 L195 V196 | A115-C192 PolarHBondContact O-SG 2.87Å; L119-C192 HydrophobicContact CB-CB 4.11Å; L119-C192 HydrophobicContact CD1-CB 4.47Å; M188-C192 PolarHBondContact O-N 2.97Å; C189-C192 PolarHBondContact O-N 3.44Å; L190-C192 VanDerWaalsContact C-N 3.27Å; L190-C192 PolarHBondContact O-N 3.48Å; C192-G194 PolarHBondContact O-N 2.97Å; C192-L195 WeakPolarHBondContact O-CA 3.19Å; C192-L195 WeakPolarHBondContact O-CB 3.35Å; C192-L195 PolarHBondContact O-N 2.85Å; C192-V196 PolarHBondContact O-N 2.99Å |
| 193 | R | 74.6 | Confident | 71.6 | Confident | 212 Ų | 212 | 86.4 Ų | 86.4 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.2 | -26.2 | 179 | -64 | -172.4 | 82.8 | 125.4 | 1.9 | 112.9 | C189 L190 | C189-R193 PolarHBondContact O-N 2.9Å; L190-R193 PolarHBondContact O-N 2.71Å |
| 194 | G | 66.7 | Low | 69.4 | Low | 47 Ų | 47 | 84.9 Ų | 84.9 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L190 A191 C192 | L190-G194 PolarHBondContact O-N 3.05Å; A191-G194 PolarHBondContact O-N 3.34Å; C192-G194 PolarHBondContact O-N 2.97Å |
| 195 | L | 64.2 | Low | 67.4 | Low | 28 Ų | 28 | 90.8 Ų | 90.8 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -25.5 | 179.1 | -76.7 | 166.9 | 0 | 0 | 0 | 112.9 | A115 A191 C192 P197 | A115-L195 HydrophobicContact CB-CB 4.15Å; A191-L195 WeakPolarHBondContact O-CD1 3.43Å; A191-L195 VanDerWaalsContact O-CG 3.31Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 3.31Å; C192-L195 WeakPolarHBondContact O-CA 3.19Å; C192-L195 WeakPolarHBondContact O-CB 3.35Å; C192-L195 PolarHBondContact O-N 2.85Å; L195-P197 VanDerWaalsContact O-CD 3.28Å; L195-P197 WeakPolarHBondContact O-CD 3.43Å |
| 196 | V | 61.6 | Low | 65.4 | Low | 78 Ų | 78 | 95.1 Ų | 95.1 | 47% | 0.473 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -64.7 | 115.5 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 106.8 | A115 C192 E198 | A115-V196 HydrophobicContact CB-CG2 4.49Å; C192-V196 PolarHBondContact O-N 2.99Å; V196-E198 PolarHBondContact O-N 3.1Å; V196-E198 VanDerWaalsContact O-N 3.13Å |
| 197 | P | 52.9 | Low | 63 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | trans | -58 | 124 | 167.4 | 24.9 | -29 | 0 | 0 | 0 | 105.6 | L195 E199 | L195-P197 VanDerWaalsContact O-CD 3.28Å; L195-P197 WeakPolarHBondContact O-CD 3.43Å; P197-E199 VanDerWaalsContact C-N 3.33Å; P197-E199 PolarHBondContact O-N 2.78Å | ||
| 198 | E | 51.5 | Low | 61.1 | Low | 168 Ų | 168 | 105.5 Ų | 105.5 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | trans | -46.6 | 107.7 | 166.2 | -172.1 | 175.8 | 128.3 | 0 | 0 | 105.2 | V196 S200 | V196-E198 PolarHBondContact O-N 3.1Å; V196-E198 VanDerWaalsContact O-N 3.13Å; E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.95Å | ||
| 199 | E | 47.3 | Very low | 59.2 | Low | 188 Ų | 188 | 109.5 Ų | 109.5 | 88% | 0.879 | 58% | 0.577 | S | S | * | * | trans | -51.2 | 113.7 | 165 | -86.7 | -135.5 | 146.8 | 0 | 0 | 103 | P197 H201 | P197-E199 VanDerWaalsContact C-N 3.33Å; P197-E199 PolarHBondContact O-N 2.78Å; E199-H201 VanDerWaalsContact C-N 3.34Å; E199-H201 PolarHBondContact O-N 3.47Å | ||
| 200 | S | 43.8 | Very low | 57.2 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | trans | -41.3 | 105.6 | -178.1 | 49 | 0 | 0 | 0 | 0 | 107.3 | E198 Y202 | E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.95Å; S200-Y202 PolarHBondContact O-N 3.5Å | ||
| 201 | H | 40.3 | Very low | 55.3 | Low | 157 Ų | 157 | 111.6 Ų | 111.6 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -54.1 | 105.7 | 146 | -153.7 | -84.6 | 0 | 0 | 0 | 101.5 | E199 K203 | E199-H201 VanDerWaalsContact C-N 3.34Å; E199-H201 PolarHBondContact O-N 3.47Å; H201-K203 PolarHBondContact O-N 3.17Å | ||
| 202 | Y | 44 | Very low | 53.1 | Low | 193 Ų | 193 | 122 Ų | 122 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | trans | -58.1 | 84.6 | 173.9 | 179 | -95.1 | 0 | 0 | 0 | 105 | S200 A204 | S200-Y202 PolarHBondContact O-N 3.5Å; Y202-A204 HydrophobicContact CD1-CB 3.89Å; Y202-A204 HydrophobicContact CE1-CB 3.45Å; Y202-A204 VanDerWaalsContact CE1-CB 3.45Å; Y202-A204 PolarHBondContact O-N 3.47Å | ||
| 203 | K | 41.8 | Very low | 51.3 | Low | 182 Ų | 182 | 129.7 Ų | 129.7 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | -64.9 | 93.7 | 152.2 | -81.1 | -167.5 | 177 | 179.6 | 0 | 101.3 | H201 V205 | H201-K203 PolarHBondContact O-N 3.17Å; K203-V205 PolarHBondContact O-N 3.43Å | ||
| 204 | A | 50.8 | Low | 49.8 | Very low | 61 Ų | 61 | 124.5 Ų | 124.5 | 50% | 0.504 | 68% | 0.677 | S | S | . | * | trans | -43.4 | 102 | 158.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | Y202 S206 | Y202-A204 HydrophobicContact CD1-CB 3.89Å; Y202-A204 HydrophobicContact CE1-CB 3.45Å; Y202-A204 VanDerWaalsContact CE1-CB 3.45Å; Y202-A204 PolarHBondContact O-N 3.47Å; A204-S206 PolarHBondContact O-N 3.37Å | ||
| 205 | V | 53.3 | Low | 48.5 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -65 | 99.8 | 166 | 178.5 | 0 | 0 | 0 | 0 | 101.8 | K203 Y207 | K203-V205 PolarHBondContact O-N 3.43Å; V205-Y207 VanDerWaalsContact C-N 3.3Å; V205-Y207 PolarHBondContact O-N 3.45Å | ||
| 206 | S | 53.3 | Low | 47 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | -62.5 | 107.1 | 168.5 | 68.7 | 0 | 0 | 0 | 0 | 104.8 | A204 N208 | A204-S206 PolarHBondContact O-N 3.37Å; S206-N208 PolarHBondContact O-N 3.26Å | ||
| 207 | Y | 45.3 | Very low | 45.8 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -63.5 | 94 | 159.9 | 42.3 | -85.8 | 0 | 0 | 0 | 104.7 | V205 A209 | V205-Y207 VanDerWaalsContact C-N 3.3Å; V205-Y207 PolarHBondContact O-N 3.45Å; Y207-A209 PolarHBondContact O-N 3.33Å | ||
| 208 | N | 54.3 | Low | 45.1 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -65.9 | 87.8 | 153.8 | -97 | -35.4 | 0 | 0 | 0 | 105.2 | S206 S210 | S206-N208 PolarHBondContact O-N 3.26Å; N208-S210 PolarHBondContact O-N 2.92Å | ||
| 209 | A | 51 | Low | 44.4 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | trans | -60.1 | 99.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 105 | Y207 G211 | Y207-A209 PolarHBondContact O-N 3.33Å; A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.21Å | ||
| 210 | S | 48.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -56.3 | 103.7 | 169.4 | -174.8 | 0 | 0 | 0 | 0 | 106.1 | N208 R212 | N208-S210 PolarHBondContact O-N 2.92Å; S210-R212 VanDerWaalsContact C-N 3.28Å; S210-R212 PolarHBondContact O-N 3.17Å | ||
| 211 | G | 48.1 | Very low | 43.2 | Very low | 60 Ų | 60 | 142.4 Ų | 142.4 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | trans | -62.5 | 91.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A209 N213 | A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.21Å; G211-N213 VanDerWaalsContact C-N 3.33Å; G211-N213 PolarHBondContact O-N 3.1Å | ||
| 212 | R | 40.4 | Very low | 43 | Very low | 221 Ų | 221 | 143.9 Ų | 143.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -65.9 | 101.2 | 159.8 | -103.7 | -179.4 | 173.4 | 161.7 | -1.4 | 106 | S210 I214 | S210-R212 VanDerWaalsContact C-N 3.28Å; S210-R212 PolarHBondContact O-N 3.17Å; R212-I214 HydrophobicContact CB-CG1 4.46Å; R212-I214 PolarHBondContact O-N 3.27Å | ||
| 213 | N | 43.1 | Very low | 42.4 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -61.7 | 88.2 | 164.4 | -75.7 | -66.1 | 0 | 0 | 0 | 108.2 | G211 S215 | G211-N213 VanDerWaalsContact C-N 3.33Å; G211-N213 PolarHBondContact O-N 3.1Å; N213-S215 PolarHBondContact O-N 3.39Å | ||
| 214 | I | 43.9 | Very low | 41.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 52% | 0.523 | 75% | 0.754 | S | S | . | * | trans | -82 | 96.8 | 164.7 | -61.8 | 170.8 | 0 | 0 | 0 | 105.6 | R212 Y216 | R212-I214 HydrophobicContact CB-CG1 4.46Å; R212-I214 PolarHBondContact O-N 3.27Å; I214-Y216 HydrophobicContact CB-CE2 3.98Å; I214-Y216 HydrophobicContact CG2-CD1 4.06Å; I214-Y216 HydrophobicContact CG2-CD2 4.04Å; I214-Y216 HydrophobicContact CG2-CE1 3.59Å; I214-Y216 HydrophobicContact CG2-CE2 3.58Å; I214-Y216 HydrophobicContact CG2-CG 4.27Å; I214-Y216 WeakPolarHBondContact O-CD2 3.39Å; I214-Y216 PolarHBondContact O-N 3.31Å; I214-Y216 VanDerWaalsContact O-N 3.12Å | ||
| 215 | S | 38.6 | Very low | 40.8 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -68.6 | 99.6 | 168.6 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | N213 R217 | N213-S215 PolarHBondContact O-N 3.39Å; S215-R217 PolarHBondContact O-N 3.29Å | ||
| 216 | Y | 33.5 | Very low | 39.8 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 106 | 166.3 | -59.8 | -81.4 | 0 | 0 | 0 | 107.8 | I214 T218 | I214-Y216 HydrophobicContact CB-CE2 3.98Å; I214-Y216 HydrophobicContact CG2-CD1 4.06Å; I214-Y216 HydrophobicContact CG2-CD2 4.04Å; I214-Y216 HydrophobicContact CG2-CE1 3.59Å; I214-Y216 HydrophobicContact CG2-CE2 3.58Å; I214-Y216 HydrophobicContact CG2-CG 4.27Å; I214-Y216 WeakPolarHBondContact O-CD2 3.39Å; I214-Y216 PolarHBondContact O-N 3.31Å; I214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-T218 PolarHBondContact O-N 3.23Å; Y216-T218 VanDerWaalsContact O-N 3.14Å | ||
| 217 | R | 36.8 | Very low | 38.6 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -74.2 | 96.2 | 170.5 | -168.7 | -178 | -166.7 | 178 | 4.1 | 108.4 | S215 | S215-R217 PolarHBondContact O-N 3.29Š| ||
| 218 | T | 36.3 | Very low | 38 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -82.5 | 114.2 | 171.1 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | Y216 | Y216-T218 PolarHBondContact O-N 3.23Å; Y216-T218 VanDerWaalsContact O-N 3.14Å | ||
| 219 | G | 38.7 | Very low | 37.3 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 165.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | P | 34.9 | Very low | 36.2 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 126.7 | -164.2 | 32.5 | -31.5 | 0 | 0 | 0 | 111.5 | ||||
| 221 | Y | 29.8 | Very low | 35.5 | Very low | 226 Ų | 226 | 142.9 Ų | 142.9 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -129.2 | 125.2 | 161 | -160.4 | -96.8 | 0 | 0 | 0 | 108.8 | ||||
| 222 | K | 37.3 | Very low | 34.6 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 172.1 | -179.6 | -83.7 | -167.6 | 176 | -176.1 | 0 | 111.3 | ||||
| 223 | V | 29.8 | Very low | 34 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | 96.4 | 123.9 | 173.6 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 224 | G | 31.4 | Very low | 33.4 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | cis | 158.7 | 149.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 225 | S | 29.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | 80.7 | 100.8 | 167.3 | -163.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 226 | G | 31.1 | Very low | 32.2 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | 41.2 | 113.7 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 227 | Y | 28.3 | Very low | 32 | Very low | 233 Ų | 233 | 148.8 Ų | 148.8 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | -177.5 | 118.3 | 115.1 | -124.6 | -99.1 | 0 | 0 | 0 | 109.3 | |||||
| 228 | E | 32.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -81.8 | 152.5 | 158.1 | -114.2 | 177.4 | 106.9 | 0 | 0 | 107.8 | ||||
| 229 | P | 39.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | -154 | 167.9 | 68.5 | 37 | -14.4 | 0 | 0 | 0 | 118.8 | |||||
| 230 | E | 29.4 | Very low | 30.8 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 72.9 | 98 | 142.3 | -83.1 | -166.7 | 109.3 | 0 | 0 | 123.3 | ||||
| 231 | A | 32.4 | Very low | 30.6 | Very low | 83 Ų | 83 | 154.3 Ų | 154.3 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | 32.1 | 119.5 | 111 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 232 | K | 30.4 | Very low | 30.6 | Very low | 217 Ų | 217 | 147.9 Ų | 147.9 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | trans | -148.2 | 109 | 137.5 | -112.7 | 171.8 | -169.5 | 175.1 | 0 | 112.4 | ||||
| 233 | T | 28.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | -62.1 | 133.8 | 168.7 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 234 | R | 29.6 | Very low | 30.4 | Very low | 250 Ų | 250 | 147.6 Ų | 147.6 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | -151.3 | 108.8 | 141.3 | -149.2 | 173.7 | -177 | -178 | 0.1 | 111.4 | ||||
| 235 | K | 28.6 | Very low | 30.4 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -73.2 | 150.9 | 167.5 | -77.3 | 179.1 | 172.9 | 179.2 | 0 | 110.9 | ||||
| 236 | G | 28.8 | Very low | 30.6 | Very low | 69 Ų | 69 | 151.8 Ų | 151.8 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -174.4 | 96.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 237 | A | 28.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 156 Ų | 156 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | 61.8 | 105.3 | 108.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 238 | G | 25.9 | Very low | 30.8 | Very low | 65 Ų | 65 | 148.5 Ų | 148.5 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 101.7 | 101.3 | 39.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 239 | Y | 29.4 | Very low | 30.9 | Very low | 240 Ų | 240 | 151.4 Ų | 151.4 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | trans | -157.6 | 113 | 152 | -90.3 | -72.3 | 0 | 0 | 0 | 108.2 | ||||
| 240 | E | 31.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 158 Ų | 158 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | -63.4 | 145.9 | 160.7 | -76.8 | 163.5 | 108.6 | 0 | 0 | 109.5 | ||||
| 241 | E | 30.7 | Very low | 30.8 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | 179.5 | 156.8 | 100 | -153 | 152 | 125.5 | 0 | 0 | 111.4 | |||||
| 242 | A | 30.8 | Very low | 31 | Very low | 92 Ų | 92 | 161.5 Ų | 161.5 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -81.2 | 160.7 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 243 | A | 31.5 | Very low | 31.6 | Very low | 97 Ų | 97 | 156.5 Ų | 156.5 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -169.9 | 108.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 244 | R | 30.1 | Very low | 31.9 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | 54.3 | 111.1 | 124 | -148.7 | 172 | -172 | 147.5 | 0.5 | 120 | |||||
| 245 | S | 31.9 | Very low | 32.3 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -44.7 | 135.7 | 153.5 | 175.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 246 | E | 33.6 | Very low | 32.7 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -166.5 | 122.1 | 130.4 | -109.1 | 174.3 | 126.4 | 0 | 0 | 112.6 | ||||
| 247 | D | 32.6 | Very low | 33.2 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 25.4 | 137.5 | 141.7 | -132.6 | -17.3 | 0 | 0 | 0 | 122.2 | ||||
| 248 | G | 31.4 | Very low | 33.9 | Very low | 75 Ų | 75 | 158.5 Ų | 158.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 175.8 | 45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | R250 | G248-R250 PolarHBondContact O-N 3.39Š| ||
| 249 | R | 32.8 | Very low | 34.9 | Very low | 232 Ų | 232 | 165.8 Ų | 165.8 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -54.8 | 127.7 | 170.9 | -134.2 | 177.4 | -175.2 | 174.5 | 0.8 | 111.3 | ||||
| 250 | R | 33.7 | Very low | 35.2 | Very low | 251 Ų | 251 | 162.1 Ų | 162.1 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | trans | -166.1 | 105.2 | 141.6 | -108 | 166.8 | -172.5 | -175.1 | 2.6 | 112.3 | G248 | G248-R250 PolarHBondContact O-N 3.39Š| ||
| 251 | S | 34.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 161 Ų | 161 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -68.1 | 149.5 | 160.3 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 252 | Y | 35.8 | Very low | 35.6 | Very low | 228 Ų | 228 | 159.2 Ų | 159.2 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | -178.1 | 159.2 | 123.5 | -93 | -60.9 | 0 | 0 | 0 | 110.1 | |||||
| 253 | P | 43.1 | Very low | 35.9 | Very low | 112 Ų | 112 | 163.2 Ų | 163.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -111.1 | 157.5 | -135.1 | 16.7 | 7.5 | 0 | 0 | 0 | 113.5 | ||||
| 254 | S | 35.7 | Very low | 36.2 | Very low | 88 Ų | 88 | 167.3 Ų | 167.3 | 62% | 0.615 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 122.3 | 168.6 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | Y256 | S254-Y256 WeakPolarHBondContact OG-CD2 3.44Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 255 | K | 37.2 | Very low | 36.6 | Very low | 174 Ų | 174 | 162.9 Ų | 162.9 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | trans | -102.1 | 116 | 167.7 | -168.2 | -175.2 | -174.5 | -149.8 | 0 | 107.7 | D257 | K255-D257 WeakPolarHBondContact CE-OD2 3.22Å; K255-D257 IonicContact NZ-OD2 3.4Å; K255-D257 PolarHBondContact NZ-OD2 3.4Å | ||
| 256 | Y | 36.2 | Very low | 36.9 | Very low | 185 Ų | 185 | 166.9 Ų | 166.9 | 73% | 0.725 | 82% | 0.822 | S | S | * | * | trans | -103.7 | 120.9 | 163.7 | -69.4 | -83.2 | 0 | 0 | 0 | 107.3 | S254 | S254-Y256 WeakPolarHBondContact OG-CD2 3.44Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 257 | D | 40.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 166.3 Ų | 166.3 | 69% | 0.69 | 82% | 0.823 | S | S | * | * | trans | -122.3 | 122.3 | 158.7 | -85.7 | -37.8 | 0 | 0 | 0 | 106.3 | K255 | K255-D257 WeakPolarHBondContact CE-OD2 3.22Å; K255-D257 IonicContact NZ-OD2 3.4Å; K255-D257 PolarHBondContact NZ-OD2 3.4Å | ||
| 258 | Y | 43.8 | Very low | 37.6 | Very low | 214 Ų | 214 | 167.3 Ų | 167.3 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 128.2 | 171.6 | -68.9 | -90 | 0 | 0 | 0 | 108.9 | ||||
| 259 | V | 46.8 | Very low | 38.1 | Very low | 219 Ų | 219 | 175.6 Ų | 175.6 | 100% | 1.327 | 83% | 0.827 | S | S | * | * | trans | -138.2 | 0 | 148.8 | -175.7 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 259 of 259 residues in 190.6 ms
(Link to these results)