| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.6 | Very low | 53.8 | Low | 245 Ų | 245 | 115.8 Ų | 115.8 | 100% | 1.207 | 65% | 0.649 | S | S | * | * | 0 | 105.8 | 0 | -65.9 | -179.1 | 81.1 | 0 | 0 | 106.1 | |||||
| 2 | S | 30.9 | Very low | 55.8 | Low | 114 Ų | 114 | 116.3 Ų | 116.3 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -79.1 | 125.9 | -166.1 | -42.3 | 0 | 0 | 0 | 0 | 109.7 | T4 | S2-T4 PolarHBondContact O-N 3.07Å; S2-T4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | S | 38.3 | Very low | 57.5 | Low | 118 Ų | 118 | 114 Ų | 114 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | trans | -73.5 | 101.2 | 177 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | T | 43.2 | Very low | 59.1 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 72% | 0.718 | 60% | 0.597 | S | S | * | * | trans | -82.9 | 5 | 167.7 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | S2 G6 | S2-T4 PolarHBondContact O-N 3.07Å; S2-T4 VanDerWaalsContact O-N 3.14Å; T4-G6 PolarHBondContact O-N 3Å | ||
| 5 | G | 46.5 | Very low | 60.4 | Low | 13 Ų | 13 | 105.7 Ų | 105.7 | 13% | 0.134 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -66.7 | -28.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R7 E8 D9 | G5-R7 PolarHBondContact O-N 3.14Å; G5-R7 VanDerWaalsContact O-N 3.09Å; G5-E8 PolarHBondContact O-N 3.09Å; G5-D9 VanDerWaalsContact C-OD2 3.25Å; G5-D9 WeakPolarHBondContact O-CB 3.38Å; G5-D9 PolarHBondContact O-N 2.88Å |
| 6 | G | 56 | Low | 61.9 | Low | 55 Ų | 55 | 107.7 Ų | 107.7 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.4 | -31.4 | -164 | 0 | 0 | 0 | 0 | 0 | 117 | T4 V10 | T4-G6 PolarHBondContact O-N 3Å; G6-V10 WeakPolarHBondContact O-CG2 3.41Å |
| 7 | R | 55.6 | Low | 63.1 | Low | 213 Ų | 213 | 106.4 Ų | 106.4 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -92.3 | -38 | -176.2 | -154.6 | 174.4 | 179.3 | -175.1 | -1.9 | 112.2 | G5 L11 | G5-R7 PolarHBondContact O-N 3.14Å; G5-R7 VanDerWaalsContact O-N 3.09Å; R7-L11 WeakPolarHBondContact O-CG 3.14Å; R7-L11 PolarHBondContact O-N 3.04Å; R7-L11 VanDerWaalsContact O-N 3.16Å |
| 8 | E | 65.9 | Low | 64.4 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.1 | -40.4 | 174.2 | -68.5 | 177.5 | 170.5 | 0 | 0 | 110.9 | G5 V10 L11 Q12 | G5-E8 PolarHBondContact O-N 3.09Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.28Å; E8-L11 PolarHBondContact O-N 2.76Å; E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.32Å; E8-Q12 PolarHBondContact O-N 2.89Å |
| 9 | D | 72.2 | Confident | 65.6 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.6 | -39.8 | 177.1 | -67 | -20.1 | 0 | 0 | 0 | 111.6 | G5 Q12 Q13 | G5-D9 VanDerWaalsContact C-OD2 3.25Å; G5-D9 WeakPolarHBondContact O-CB 3.38Å; G5-D9 PolarHBondContact O-N 2.88Å; D9-Q12 PolarHBondContact O-N 3.37Å; D9-Q13 WeakPolarHBondContact O-CB 3.49Å; D9-Q13 PolarHBondContact O-N 2.89Å |
| 10 | V | 73.4 | Confident | 66.9 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 39% | 0.394 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | G6 E8 Q12 Q13 V14 | G6-V10 WeakPolarHBondContact O-CG2 3.41Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.28Å; V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 3.4Å; V10-Q13 PolarHBondContact O-N 2.8Å; V10-V14 WeakPolarHBondContact O-CG2 3.18Å; V10-V14 PolarHBondContact O-N 3.06Å |
| 11 | L | 75.6 | Confident | 68 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | 176.8 | -71.8 | 173.2 | 0 | 0 | 0 | 111.7 | R7 E8 V14 S15 | R7-L11 WeakPolarHBondContact O-CG 3.14Å; R7-L11 PolarHBondContact O-N 3.04Å; R7-L11 VanDerWaalsContact O-N 3.16Å; E8-L11 PolarHBondContact O-N 2.76Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-S15 PolarHBondContact O-N 2.84Å |
| 12 | Q | 77.8 | Confident | 70.5 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 173.1 | -73.9 | 178.9 | 14.6 | 0 | 0 | 111.3 | E8 D9 V10 V14 S15 H16 | E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.32Å; E8-Q12 PolarHBondContact O-N 2.89Å; D9-Q12 PolarHBondContact O-N 3.37Å; V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 3.4Å; Q12-V14 VanDerWaalsContact C-N 3.31Å; Q12-V14 PolarHBondContact O-N 2.56Å; Q12-S15 WeakPolarHBondContact CA-OG 2.92Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 PolarHBondContact O-OG 3.24Å; Q12-H16 PolarHBondContact O-N 3.27Å |
| 13 | Q | 77.4 | Confident | 73.4 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.8 | -172.6 | 174.2 | 12.7 | 0 | 0 | 112.4 | D9 V10 H16 F17 C213 | D9-Q13 WeakPolarHBondContact O-CB 3.49Å; D9-Q13 PolarHBondContact O-N 2.89Å; V10-Q13 PolarHBondContact O-N 2.8Å; Q13-H16 PolarHBondContact O-N 2.87Å; Q13-F17 WeakPolarHBondContact O-CB 3.48Å; Q13-F17 PolarHBondContact O-N 2.84Å; Q13-C213 PolarHBondContact OE1-SG 3.01Å |
| 14 | V | 79.5 | Confident | 75.8 | Confident | 41 Ų | 41 | 88.7 Ų | 88.7 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V10 L11 Q12 H16 F17 W18 I211 | V10-V14 WeakPolarHBondContact O-CG2 3.18Å; V10-V14 PolarHBondContact O-N 3.06Å; L11-V14 PolarHBondContact O-N 2.92Å; Q12-V14 VanDerWaalsContact C-N 3.31Å; Q12-V14 PolarHBondContact O-N 2.56Å; V14-H16 PolarHBondContact O-N 3.19Å; V14-F17 WeakPolarHBondContact O-CB 3.47Å; V14-F17 PolarHBondContact O-N 2.87Å; V14-W18 PolarHBondContact O-N 2.91Å; V14-I211 HydrophobicContact CG2-CD1 4.36Å |
| 15 | S | 79.3 | Confident | 78.1 | Confident | 63 Ų | 63 | 85.1 Ų | 85.1 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | L11 Q12 F17 W18 V19 | L11-S15 PolarHBondContact O-N 2.84Å; Q12-S15 WeakPolarHBondContact CA-OG 2.92Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 PolarHBondContact O-OG 3.24Å; S15-F17 VanDerWaalsContact C-N 3.32Å; S15-F17 PolarHBondContact O-N 2.84Å; S15-W18 PolarHBondContact O-N 2.79Å; S15-V19 WeakPolarHBondContact O-CG2 3.42Å; S15-V19 PolarHBondContact O-N 3.44Å |
| 16 | H | 83.6 | Confident | 80.1 | Confident | 137 Ų | 137 | 91 Ų | 91 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 177 | 179.8 | -87.4 | 0 | 0 | 0 | 111.9 | Q12 Q13 V14 V19 M20 | Q12-H16 PolarHBondContact O-N 3.27Å; Q13-H16 PolarHBondContact O-N 2.87Å; V14-H16 PolarHBondContact O-N 3.19Å; H16-V19 PolarHBondContact O-N 3.29Å; H16-M20 WeakPolarHBondContact O-CB 3.5Å; H16-M20 PolarHBondContact O-N 2.78Å |
| 17 | F | 82.2 | Confident | 81.9 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.3 | -173.3 | -104.3 | 0 | 0 | 0 | 112.1 | Q13 V14 S15 M20 L21 F35 | Q13-F17 WeakPolarHBondContact O-CB 3.48Å; Q13-F17 PolarHBondContact O-N 2.84Å; V14-F17 WeakPolarHBondContact O-CB 3.47Å; V14-F17 PolarHBondContact O-N 2.87Å; S15-F17 VanDerWaalsContact C-N 3.32Å; S15-F17 PolarHBondContact O-N 2.84Å; F17-M20 HydrophobicContact CD2-CE 3.38Å; F17-M20 HydrophobicContact CE2-CE 3.36Å; F17-M20 HydrophobicContact CG-CE 4.24Å; F17-M20 HydrophobicContact CZ-CE 4.22Å; F17-M20 PolarHBondContact O-N 2.77Å; F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.31Å; F17-L21 HydrophobicContact CE1-CD1 3.38Å; F17-L21 HydrophobicContact CE1-CG 4.02Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.29Å; F17-L21 HydrophobicContact CZ-CG 4.22Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.79Å; F17-F35 HydrophobicContact CE2-CZ 4.07Å; F17-F35 HydrophobicContact CZ-CE1 4.13Å; F17-F35 HydrophobicContact CZ-CZ 4.08Å |
| 18 | W | 86.6 | Confident | 83.7 | Confident | 159 Ų | 159 | 86.3 Ų | 86.3 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 176.2 | -68.8 | 121.6 | 0 | 0 | 0 | 112.8 | V14 S15 M20 L21 D22 | V14-W18 PolarHBondContact O-N 2.91Å; S15-W18 PolarHBondContact O-N 2.79Å; W18-M20 VanDerWaalsContact C-N 3.34Å; W18-L21 HydrophobicContact CE3-CD1 4.02Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.48Å; W18-D22 PolarHBondContact O-N 3.47Å |
| 19 | V | 88 | Confident | 85 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | S15 H16 L21 D22 D23 | S15-V19 WeakPolarHBondContact O-CG2 3.42Å; S15-V19 PolarHBondContact O-N 3.44Å; H16-V19 PolarHBondContact O-N 3.29Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.08Å; V19-D22 PolarHBondContact O-N 3.03Å; V19-D22 VanDerWaalsContact O-N 3.17Å; V19-D23 WeakPolarHBondContact O-CB 3.17Å; V19-D23 PolarHBondContact O-N 2.82Å |
| 20 | M | 91.8 | Very high | 85.9 | Confident | 60 Ų | 60 | 82 Ų | 82 | 30% | 0.296 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 176.7 | 177.5 | -84 | -61.4 | 0 | 0 | 112.6 | H16 F17 W18 L24 | H16-M20 WeakPolarHBondContact O-CB 3.5Å; H16-M20 PolarHBondContact O-N 2.78Å; F17-M20 HydrophobicContact CD2-CE 3.38Å; F17-M20 HydrophobicContact CE2-CE 3.36Å; F17-M20 HydrophobicContact CG-CE 4.24Å; F17-M20 HydrophobicContact CZ-CE 4.22Å; F17-M20 PolarHBondContact O-N 2.77Å; W18-M20 VanDerWaalsContact C-N 3.34Å; M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.41Å; M20-L24 PolarHBondContact O-N 2.71Å |
| 21 | L | 88.9 | Confident | 86.7 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176.8 | -72.8 | -178.6 | 0 | 0 | 0 | 112.7 | F17 W18 V19 S25 Y32 F35 | F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.31Å; F17-L21 HydrophobicContact CE1-CD1 3.38Å; F17-L21 HydrophobicContact CE1-CG 4.02Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.29Å; F17-L21 HydrophobicContact CZ-CG 4.22Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.79Å; W18-L21 HydrophobicContact CE3-CD1 4.02Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.48Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.08Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.17Å; L21-Y32 HydrophobicContact CB-CE2 4.23Å; L21-Y32 HydrophobicContact CD2-CD2 4.46Å; L21-Y32 HydrophobicContact CD2-CE2 4.06Å; L21-F35 HydrophobicContact CD2-CD1 3.93Å; L21-F35 HydrophobicContact CD2-CE1 3.69Å |
| 22 | D | 88.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 176.7 | -171.4 | 38.8 | 0 | 0 | 0 | 110.6 | W18 V19 L24 S25 Q26 | W18-D22 PolarHBondContact O-N 3.47Å; V19-D22 PolarHBondContact O-N 3.03Å; V19-D22 VanDerWaalsContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.02Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 3.3Å; D22-S25 VanDerWaalsContact O-N 3.08Å; D22-S25 PolarHBondContact O-OG 3.42Å; D22-Q26 WeakPolarHBondContact O-CG 3.27Å; D22-Q26 PolarHBondContact O-N 3.01Å; D22-Q26 PolarHBondContact OD1-NE2 2.87Å; D22-Q26 PolarHBondContact OD2-NE2 2.79Å |
| 23 | D | 91.9 | Very high | 87.9 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56 | -46.9 | 175.9 | -73.4 | -18 | 0 | 0 | 0 | 111.3 | V19 S25 Q26 S27 | V19-D23 WeakPolarHBondContact O-CB 3.17Å; V19-D23 PolarHBondContact O-N 2.82Å; D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact O-N 2.84Å; D23-Q26 PolarHBondContact O-N 2.85Å; D23-S27 VanDerWaalsContact O-CB 3.27Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 2.83Å; D23-S27 PolarHBondContact O-OG 2.85Å |
| 24 | L | 87.7 | Confident | 88.6 | Confident | 40 Ų | 40 | 82.2 Ų | 82.2 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.6 | -167.4 | 66.9 | 0 | 0 | 0 | 111.3 | M20 D22 Q26 D28 A31 Y32 F35 | M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.41Å; M20-L24 PolarHBondContact O-N 2.71Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.02Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.8Å; L24-D28 CarbonylContact O-C 3.52Å; L24-D28 PolarHBondContact O-N 3.37Å; L24-A31 HydrophobicContact CD1-CB 3.92Å; L24-Y32 HydrophobicContact CB-CD2 4.34Å; L24-Y32 HydrophobicContact CD2-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CD2 4.48Å; L24-F35 HydrophobicContact CD2-CB 4.19Å |
| 25 | S | 90.5 | Very high | 89 | Confident | 43 Ų | 43 | 82.6 Ų | 82.6 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66 | -32.1 | 178.3 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | L21 D22 D23 P29 | L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.17Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 3.3Å; D22-S25 VanDerWaalsContact O-N 3.08Å; D22-S25 PolarHBondContact O-OG 3.42Å; D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact O-N 2.84Å; S25-P29 WeakPolarHBondContact O-CG 3.13Å |
| 26 | Q | 90.4 | Very high | 89.5 | Confident | 136 Ų | 136 | 82.4 Ų | 82.4 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -87.7 | -40.7 | -179.3 | -64.8 | 178.2 | 32 | 0 | 0 | 112.5 | D22 D23 L24 | D22-Q26 WeakPolarHBondContact O-CG 3.27Å; D22-Q26 PolarHBondContact O-N 3.01Å; D22-Q26 PolarHBondContact OD1-NE2 2.87Å; D22-Q26 PolarHBondContact OD2-NE2 2.79Å; D23-Q26 PolarHBondContact O-N 2.85Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.8Å |
| 27 | S | 93.5 | Very high | 89.6 | Confident | 95 Ų | 95 | 82.1 Ų | 82.1 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -85.5 | -39.6 | -174.2 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | D23 | D23-S27 VanDerWaalsContact O-CB 3.27Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 2.83Å; D23-S27 PolarHBondContact O-OG 2.85Å |
| 28 | D | 93.2 | Very high | 89.8 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 40% | 0.401 | 42% | 0.417 | S | S | . | . | trans | -143.7 | 82.9 | 177.9 | -172.3 | -13.1 | 0 | 0 | 0 | 111.4 | L24 A30 A31 Y32 | L24-D28 CarbonylContact O-C 3.52Å; L24-D28 PolarHBondContact O-N 3.37Å; D28-A30 PolarHBondContact O-N 2.79Å; D28-A30 VanDerWaalsContact O-N 3.1Å; D28-A30 WeakPolarHBondContact OD1-CB 3.44Å; D28-A30 PolarHBondContact OD1-N 2.84Å; D28-A30 VanDerWaalsContact OD1-N 3.11Å; D28-A31 HydrophobicContact CB-CB 3.92Å; D28-A31 PolarHBondContact O-N 2.96Å; D28-A31 VanDerWaalsContact O-N 3.15Å; D28-A31 PolarHBondContact OD1-N 2.9Å; D28-A31 VanDerWaalsContact OD2-CB 3.24Å; D28-A31 WeakPolarHBondContact OD2-CB 3.34Å; D28-Y32 PolarHBondContact O-N 3.02Å | ||
| 29 | P | 92.3 | Very high | 89.7 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -25.6 | 179.5 | -23.2 | 31.3 | 0 | 0 | 0 | 114 | S25 R33 | S25-P29 WeakPolarHBondContact O-CG 3.13Å; P29-R33 VanDerWaalsContact O-CG 3.31Å; P29-R33 WeakPolarHBondContact O-CG 3.42Å; P29-R33 PolarHBondContact O-N 2.8Å; P29-R33 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 92.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 51% | 0.512 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.7 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D28 Y32 R33 K34 | D28-A30 PolarHBondContact O-N 2.79Å; D28-A30 VanDerWaalsContact O-N 3.1Å; D28-A30 WeakPolarHBondContact OD1-CB 3.44Å; D28-A30 PolarHBondContact OD1-N 2.84Å; D28-A30 VanDerWaalsContact OD1-N 3.11Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.02Å |
| 31 | A | 89.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 28% | 0.281 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L24 D28 K34 F35 | L24-A31 HydrophobicContact CD1-CB 3.92Å; D28-A31 HydrophobicContact CB-CB 3.92Å; D28-A31 PolarHBondContact O-N 2.96Å; D28-A31 VanDerWaalsContact O-N 3.15Å; D28-A31 PolarHBondContact OD1-N 2.9Å; D28-A31 VanDerWaalsContact OD2-CB 3.24Å; D28-A31 WeakPolarHBondContact OD2-CB 3.34Å; A31-K34 PolarHBondContact O-N 2.93Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.17Å |
| 32 | Y | 90.1 | Very high | 88.8 | Confident | 76 Ų | 76 | 91.8 Ų | 91.8 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57 | -51.8 | 173.5 | 177.8 | -96.6 | 0 | 0 | 0 | 111.8 | L21 L24 D28 A30 K34 F35 I36 | L21-Y32 HydrophobicContact CB-CE2 4.23Å; L21-Y32 HydrophobicContact CD2-CD2 4.46Å; L21-Y32 HydrophobicContact CD2-CE2 4.06Å; L24-Y32 HydrophobicContact CB-CD2 4.34Å; L24-Y32 HydrophobicContact CD2-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CD2 4.48Å; D28-Y32 PolarHBondContact O-N 3.02Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.92Å; Y32-F35 WeakPolarHBondContact O-CB 3.42Å; Y32-F35 PolarHBondContact O-N 3.15Å; Y32-I36 HydrophobicContact CD1-CG1 4.28Å; Y32-I36 HydrophobicContact CE1-CG1 3.83Å; Y32-I36 HydrophobicContact CE2-CD1 4.2Å; Y32-I36 HydrophobicContact CE2-CG1 4.15Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 2.84Å |
| 33 | R | 89.7 | Confident | 88.4 | Confident | 161 Ų | 161 | 88.7 Ų | 88.7 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.4 | -48 | 178.5 | -73.7 | 173.4 | -168.6 | 148.3 | 4.7 | 111.7 | P29 A30 F35 I36 E37 | P29-R33 VanDerWaalsContact O-CG 3.31Å; P29-R33 WeakPolarHBondContact O-CG 3.42Å; P29-R33 PolarHBondContact O-N 2.8Å; P29-R33 VanDerWaalsContact O-N 3.15Å; A30-R33 PolarHBondContact O-N 3.1Å; R33-F35 VanDerWaalsContact C-N 3.3Å; R33-F35 PolarHBondContact O-N 3.19Å; R33-I36 PolarHBondContact O-N 3.31Å; R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.03Å |
| 34 | K | 90.9 | Very high | 87.9 | Confident | 127 Ų | 127 | 87.2 Ų | 87.2 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 177.7 | -175 | -177.7 | 174.7 | -172.3 | 0 | 111.6 | A30 A31 Y32 E37 E38 | A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.02Å; A31-K34 PolarHBondContact O-N 2.93Å; Y32-K34 PolarHBondContact O-N 2.92Å; K34-E37 PolarHBondContact O-N 2.96Å; K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CB 3.44Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.01Å |
| 35 | F | 88.9 | Confident | 87.4 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 21% | 0.211 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 176.3 | 176.7 | -90.7 | 0 | 0 | 0 | 111.3 | F17 L21 L24 A31 Y32 R33 E37 E38 Q39 | F17-F35 HydrophobicContact CE2-CZ 4.07Å; F17-F35 HydrophobicContact CZ-CE1 4.13Å; F17-F35 HydrophobicContact CZ-CZ 4.08Å; L21-F35 HydrophobicContact CD2-CD1 3.93Å; L21-F35 HydrophobicContact CD2-CE1 3.69Å; L24-F35 HydrophobicContact CD2-CB 4.19Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.17Å; Y32-F35 WeakPolarHBondContact O-CB 3.42Å; Y32-F35 PolarHBondContact O-N 3.15Å; R33-F35 VanDerWaalsContact C-N 3.3Å; R33-F35 PolarHBondContact O-N 3.19Å; F35-E37 PolarHBondContact O-N 3.47Å; F35-E38 PolarHBondContact O-N 3.14Å; F35-Q39 HydrophobicContact CD1-CG 4.08Å; F35-Q39 HydrophobicContact CE1-CG 3.61Å; F35-Q39 HydrophobicContact CE2-CG 4.35Å; F35-Q39 HydrophobicContact CZ-CG 3.77Å; F35-Q39 WeakPolarHBondContact O-CG 3.37Å; F35-Q39 PolarHBondContact O-N 3.05Å |
| 36 | I | 88.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 94 Ų | 94 | 30% | 0.303 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.7 | -62.5 | -61.5 | 0 | 0 | 0 | 111 | Y32 R33 E38 Q39 M40 | Y32-I36 HydrophobicContact CD1-CG1 4.28Å; Y32-I36 HydrophobicContact CE1-CG1 3.83Å; Y32-I36 HydrophobicContact CE2-CD1 4.2Å; Y32-I36 HydrophobicContact CE2-CG1 4.15Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 2.84Å; R33-I36 PolarHBondContact O-N 3.31Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 2.79Å; I36-M40 HydrophobicContact CG2-CG 4.25Å; I36-M40 VanDerWaalsContact O-CG 3.27Å; I36-M40 WeakPolarHBondContact O-CG 3.37Å; I36-M40 PolarHBondContact O-N 3.35Å |
| 37 | E | 86.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 92.1 Ų | 92.1 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 176.7 | -74.1 | 172.5 | -171.1 | 0 | 0 | 112.1 | R33 K34 F35 M40 K41 | R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.03Å; K34-E37 PolarHBondContact O-N 2.96Å; F35-E37 PolarHBondContact O-N 3.47Å; E37-M40 PolarHBondContact O-N 2.88Å; E37-K41 VanDerWaalsContact O-CB 3.31Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 3.34Å |
| 38 | E | 86.6 | Confident | 86 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.8 | -75.8 | 179.4 | -173.8 | 0 | 0 | 112.7 | K34 F35 I36 R42 | K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CB 3.44Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.01Å; F35-E38 PolarHBondContact O-N 3.14Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.46Å; E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 PolarHBondContact O-NE 2.77Å; E38-R42 IonicContact OE2-NH2 3.92Å |
| 39 | Q | 84.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 88.2 Ų | 88.2 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 174.2 | -66.9 | -50 | -40.5 | 0 | 0 | 111.2 | F35 I36 K41 R42 G43 | F35-Q39 HydrophobicContact CD1-CG 4.08Å; F35-Q39 HydrophobicContact CE1-CG 3.61Å; F35-Q39 HydrophobicContact CE2-CG 4.35Å; F35-Q39 HydrophobicContact CZ-CG 3.77Å; F35-Q39 WeakPolarHBondContact O-CG 3.37Å; F35-Q39 PolarHBondContact O-N 3.05Å; I36-Q39 PolarHBondContact O-N 2.79Å; Q39-K41 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact NE2-NH2 3.1Å; Q39-R42 PolarHBondContact O-N 3Å; Q39-G43 PolarHBondContact O-N 3.18Å |
| 40 | M | 83.3 | Confident | 85.8 | Confident | 141 Ų | 141 | 85.8 Ų | 85.8 | 70% | 0.695 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177.7 | -68.5 | -62.7 | -106.8 | 0 | 0 | 111.4 | I36 E37 G43 A44 | I36-M40 HydrophobicContact CG2-CG 4.25Å; I36-M40 VanDerWaalsContact O-CG 3.27Å; I36-M40 WeakPolarHBondContact O-CG 3.37Å; I36-M40 PolarHBondContact O-N 3.35Å; E37-M40 PolarHBondContact O-N 2.88Å; M40-G43 PolarHBondContact O-N 3.14Å; M40-A44 PolarHBondContact O-N 3.13Å |
| 41 | K | 84.4 | Confident | 85.7 | Confident | 172 Ų | 172 | 89 Ų | 89 | 75% | 0.748 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.3 | -46.4 | 176 | -174 | 179.9 | -179.8 | -178.8 | 0 | 111.9 | E37 Q39 A44 | E37-K41 VanDerWaalsContact O-CB 3.31Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 3.34Å; Q39-K41 PolarHBondContact O-N 3.3Å; K41-A44 WeakPolarHBondContact O-CB 3.42Å; K41-A44 PolarHBondContact O-N 3Å |
| 42 | R | 81 | Confident | 85.8 | Confident | 138 Ų | 138 | 89.8 Ų | 89.8 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.6 | -81.8 | -174.3 | -84.7 | -171.6 | -13.8 | 111.7 | E38 Q39 A44 F46 | E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 PolarHBondContact O-NE 2.77Å; E38-R42 IonicContact OE2-NH2 3.92Å; Q39-R42 VanDerWaalsContact NE2-NH2 3.1Å; Q39-R42 PolarHBondContact O-N 3Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 2.73Å; R42-F46 WeakPolarHBondContact O-CD2 3.3Å |
| 43 | G | 79.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 88 Ų | 88 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -27.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q39 M40 E45 F46 N47 | Q39-G43 PolarHBondContact O-N 3.18Å; M40-G43 PolarHBondContact O-N 3.14Å; G43-E45 VanDerWaalsContact C-N 3.26Å; G43-E45 PolarHBondContact O-N 3.35Å; G43-F46 PolarHBondContact O-N 3.4Å; G43-N47 WeakPolarHBondContact O-CB 3.42Å; G43-N47 PolarHBondContact O-N 2.82Å; G43-N47 PolarHBondContact O-ND2 2.83Å |
| 44 | A | 81.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.2 | -39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M40 K41 R42 N47 A48 | M40-A44 PolarHBondContact O-N 3.13Å; K41-A44 WeakPolarHBondContact O-CB 3.42Å; K41-A44 PolarHBondContact O-N 3Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 2.73Å; A44-N47 CarbonylContact O-C 3.07Å; A44-N47 PolarHBondContact O-N 2.92Å; A44-A48 PolarHBondContact O-N 2.93Å |
| 45 | E | 78.1 | Confident | 85.8 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | 177.2 | -65.1 | -175.1 | -167.9 | 0 | 0 | 112.7 | G43 N47 A48 K76 | G43-E45 VanDerWaalsContact C-N 3.26Å; G43-E45 PolarHBondContact O-N 3.35Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-A48 WeakPolarHBondContact O-CB 3.27Å; E45-A48 PolarHBondContact O-N 2.85Å; E45-K76 WeakPolarHBondContact O-CB 3.28Å |
| 46 | F | 79.3 | Confident | 85.9 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 45% | 0.447 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.5 | -22.3 | 177.5 | -71 | -83.4 | 0 | 0 | 0 | 113.1 | R42 G43 K76 | R42-F46 WeakPolarHBondContact O-CD2 3.3Å; G43-F46 PolarHBondContact O-N 3.4Å; F46-K76 HydrophobicContact CD1-CB 4.43Å |
| 47 | N | 79.8 | Confident | 86.2 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2 | 175.3 | -69.3 | -44.8 | 0 | 0 | 0 | 113 | G43 A44 E45 R77 F171 | G43-N47 WeakPolarHBondContact O-CB 3.42Å; G43-N47 PolarHBondContact O-N 2.82Å; G43-N47 PolarHBondContact O-ND2 2.83Å; A44-N47 CarbonylContact O-C 3.07Å; A44-N47 PolarHBondContact O-N 2.92Å; E45-N47 VanDerWaalsContact C-N 3.33Å; N47-R77 PolarHBondContact OD1-NH2 3.4Å; N47-F171 VanDerWaalsContact O-CE2 3.32Å; N47-F171 WeakPolarHBondContact O-CE2 3.41Å |
| 48 | A | 86.3 | Confident | 86.5 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63.4 | 145.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A44 E45 W75 | A44-A48 PolarHBondContact O-N 2.93Å; E45-A48 WeakPolarHBondContact O-CB 3.27Å; E45-A48 PolarHBondContact O-N 2.85Å; A48-W75 PolarHBondContact O-NE1 3.34Å |
| 49 | P | 89.2 | Confident | 86.9 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 156 | 176.5 | 28.4 | -34.8 | 0 | 0 | 0 | 111.1 | E51 Q166 F171 | P49-E51 PolarHBondContact O-N 3.21Å; P49-Q166 HydrophobicContact CB-CG 4.18Å; P49-F171 HydrophobicContact CB-CD1 4.31Å; P49-F171 HydrophobicContact CB-CE1 3.9Å; P49-F171 HydrophobicContact CB-CE2 4.26Å; P49-F171 HydrophobicContact CB-CZ 3.87Å |
| 50 | P | 91.5 | Very high | 87.3 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.6 | 168.8 | 25.3 | -34.5 | 0 | 0 | 0 | 111.1 | C73 W75 L165 Q166 L169 F171 | P50-C73 HydrophobicContact CB-CB 4.08Å; P50-W75 HydrophobicContact CB-CB 4.05Å; P50-W75 HydrophobicContact CB-CD2 4.13Å; P50-W75 HydrophobicContact CB-CG 3.9Å; P50-L165 HydrophobicContact CB-CD2 4.12Å; P50-L165 HydrophobicContact CG-CD2 3.77Å; P50-Q166 HydrophobicContact CG-CG 4.06Å; P50-L169 HydrophobicContact CB-CD1 3.62Å; P50-L169 HydrophobicContact CG-CD1 3.67Å; P50-F171 HydrophobicContact CG-CB 4.49Å |
| 51 | E | 90.7 | Very high | 87.8 | Confident | 131 Ų | 131 | 64 Ų | 64 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.2 | 178.6 | -66.8 | 179.6 | 178 | 0 | 0 | 110.4 | P49 H53 C73 S74 | P49-E51 PolarHBondContact O-N 3.21Å; E51-H53 PolarHBondContact O-N 3.27Å; E51-C73 CarbonylContact O-C 3.57Å; E51-C73 WeakPolarHBondContact O-CA 3.39Å; E51-S74 PolarHBondContact N-O 3.47Å; E51-S74 PolarHBondContact O-N 3.01Å |
| 52 | L | 90.3 | Very high | 88.1 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 131.6 | 177.8 | -176.9 | 72.2 | 0 | 0 | 0 | 111.5 | N71 R156 P158 L165 | L52-N71 HydrophobicContact CD1-CB 3.7Å; L52-R156 WeakPolarHBondContact CD2-O 3.43Å; L52-P158 HydrophobicContact CD1-CB 4.49Å; L52-P158 HydrophobicContact CD2-CB 3.86Å; L52-P158 VanDerWaalsContact CD2-CD 3.44Å; L52-P158 HydrophobicContact CD2-CG 4.14Å; L52-L165 HydrophobicContact CB-CD1 4.44Å; L52-L165 HydrophobicContact CD1-CD1 4.07Å |
| 53 | H | 90.1 | Very high | 88.3 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -54.9 | 172.9 | 179.1 | -85.4 | 0 | 0 | 0 | 112.2 | E51 I72 L118 | E51-H53 PolarHBondContact O-N 3.27Å; H53-I72 WeakPolarHBondContact CA-O 3.28Å; H53-I72 WeakPolarHBondContact CB-O 3.41Å; H53-I72 PolarHBondContact N-O 2.79Å; H53-L118 HydrophobicContact CB-CD1 4.03Å |
| 54 | S | 89.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 161.6 | -178.6 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | I72 Y132 | S54-I72 PolarHBondContact N-O 3.13Å; S54-I72 PolarHBondContact O-N 3.2Å; S54-Y132 WeakPolarHBondContact OG-CE1 3.44Å; S54-Y132 PolarHBondContact OG-OH 3.38Å |
| 55 | C | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.6 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | I70 N71 V153 V154 | C55-I70 WeakPolarHBondContact CA-O 3.29Å; C55-N71 PolarHBondContact SG-OD1 3.32Å; C55-V153 CarbonylContact O-C 3.59Å; C55-V153 WeakPolarHBondContact O-CA 3.35Å; C55-V154 PolarHBondContact O-N 3.46Å |
| 56 | V | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.3 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 109 | Y69 I70 I72 Y132 L136 Y151 | V56-Y69 CarbonylContact O-C 3.46Å; V56-Y69 WeakPolarHBondContact O-CA 3.49Å; V56-I70 PolarHBondContact N-O 3.45Å; V56-I70 PolarHBondContact O-N 3.19Å; V56-I72 HydrophobicContact CG2-CD1 3.85Å; V56-Y132 HydrophobicContact CG2-CD1 3.62Å; V56-Y132 HydrophobicContact CG2-CD2 4.36Å; V56-Y132 HydrophobicContact CG2-CE1 4.06Å; V56-Y132 HydrophobicContact CG2-CG 3.78Å; V56-L136 HydrophobicContact CG1-CD2 4.48Å; V56-Y151 HydrophobicContact CG1-CD2 3.63Å; V56-Y151 HydrophobicContact CG1-CG 3.91Å |
| 57 | R | 93.1 | Very high | 90.3 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.5 | 174 | 179.9 | -168 | 64.7 | 174 | -0.8 | 110.1 | L67 L68 Y69 Y151 S152 V154 | R57-L67 HydrophobicContact CG-CD2 4.48Å; R57-L68 CarbonylContact C-O 3.55Å; R57-L68 VanDerWaalsContact CA-O 3.26Å; R57-L68 WeakPolarHBondContact CA-O 3.32Å; R57-Y69 HydrophobicContact CB-CD1 4.02Å; R57-Y69 HydrophobicContact CB-CE1 3.99Å; R57-Y69 HydrophobicContact CG-CD1 4.14Å; R57-Y69 HydrophobicContact CG-CE1 3.79Å; R57-Y151 CarbonylContact O-C 3.56Å; R57-Y151 VanDerWaalsContact O-CA 3.32Å; R57-Y151 WeakPolarHBondContact O-CA 3.44Å; R57-S152 PolarHBondContact N-O 3.05Å; R57-S152 PolarHBondContact NE-OG 3.2Å; R57-S152 PolarHBondContact NH2-OG 2.89Å; R57-S152 PolarHBondContact O-N 2.88Å; R57-S152 PolarHBondContact O-OG 3.23Å; R57-V154 HydrophobicContact CB-CB 4.46Å; R57-V154 HydrophobicContact CB-CG2 3.24Å; R57-V154 HydrophobicContact CG-CG2 4.21Å |
| 58 | T | 94.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 178.2 | 171.6 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | L68 L136 L147 S148 E150 | T58-L68 HydrophobicContact CG2-CB 4.04Å; T58-L68 HydrophobicContact CG2-CD2 4.33Å; T58-L68 PolarHBondContact N-O 2.88Å; T58-L68 PolarHBondContact O-N 3.19Å; T58-L136 HydrophobicContact CG2-CD2 3.54Å; T58-L147 HydrophobicContact CG2-CB 4.22Å; T58-L147 HydrophobicContact CG2-CD1 4.11Å; T58-L147 HydrophobicContact CG2-CD2 4.03Å; T58-L147 HydrophobicContact CG2-CG 4.35Å; T58-S148 PolarHBondContact OG1-O 2.75Å; T58-E150 PolarHBondContact OG1-O 2.83Å |
| 59 | Q | 94.2 | Very high | 91.3 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.8 | 172.7 | -65.5 | 178.2 | 14.5 | 0 | 0 | 110.2 | G66 L67 L147 S148 | Q59-G66 CarbonylContact C-O 3.59Å; Q59-G66 WeakPolarHBondContact CA-O 3.32Å; Q59-L67 HydrophobicContact CG-CD2 4.09Å; Q59-L147 CarbonylContact O-C 3.53Å; Q59-L147 WeakPolarHBondContact O-CA 3.41Å; Q59-S148 PolarHBondContact O-N 2.74Å |
| 60 | I | 94.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125 | 163.9 | -53.1 | 175.7 | 0 | 0 | 0 | 106.5 | E62 K64 P65 G66 L68 A107 M145 L147 | I60-E62 VanDerWaalsContact CG2-O 3.28Å; I60-E62 WeakPolarHBondContact CG2-O 3.47Å; I60-K64 WeakPolarHBondContact CG2-O 3.45Å; I60-P65 VanDerWaalsContact O-CA 3.32Å; I60-P65 WeakPolarHBondContact O-CA 3.28Å; I60-G66 PolarHBondContact N-O 2.82Å; I60-G66 PolarHBondContact O-N 2.85Å; I60-L68 HydrophobicContact CD1-CB 4.06Å; I60-L68 HydrophobicContact CG1-CB 3.74Å; I60-A107 HydrophobicContact CD1-CB 4.07Å; I60-M145 HydrophobicContact CD1-SD 4.35Å; I60-M145 HydrophobicContact CG1-SD 4.35Å; I60-M145 HydrophobicContact CG2-CB 4.46Å; I60-L147 HydrophobicContact CB-CD2 4.37Å; I60-L147 HydrophobicContact CG1-CD2 3.9Å |
| 61 | L | 92.9 | Very high | 91.6 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -45.2 | 175.9 | -56.3 | 178.5 | 0 | 0 | 0 | 110.3 | S146 | L61-S146 PolarHBondContact N-O 2.86Å |
| 62 | E | 90.7 | Very high | 91.8 | Very high | 123 Ų | 123 | 45.1 Ų | 45.1 | 58% | 0.575 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.7 | -179.9 | -64.9 | -179.2 | 166.2 | 0 | 0 | 110.5 | I60 M145 S146 | I60-E62 VanDerWaalsContact CG2-O 3.28Å; I60-E62 WeakPolarHBondContact CG2-O 3.47Å; E62-M145 WeakPolarHBondContact O-CA 3.49Å; E62-M145 WeakPolarHBondContact O-CB 3.3Å; E62-S146 PolarHBondContact N-O 2.92Å; E62-S146 PolarHBondContact O-N 3.18Å |
| 63 | P | 85.9 | Confident | 91.9 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 66% | 0.656 | 22% | 0.222 | S | C | * | . | S | Bend | cis | -81.9 | -20.2 | 3.1 | 31.4 | -36 | 0 | 0 | 0 | 114.2 | ||
| 64 | K | 86.2 | Confident | 92 | Very high | 127 Ų | 127 | 41.8 Ų | 41.8 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -128.2 | 120.2 | 178.4 | -172.8 | 178.1 | -179.7 | -175.8 | 0 | 109.3 | I60 G66 C105 | I60-K64 WeakPolarHBondContact CG2-O 3.45Å; K64-G66 PolarHBondContact O-N 3.16Å; K64-C105 PolarHBondContact NZ-SG 2.85Å |
| 65 | P | 90.1 | Very high | 92.1 | Very high | 97 Ų | 97 | 42 Ų | 42 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | trans | -56.3 | 137.4 | 177.5 | -27.4 | 35.1 | 0 | 0 | 0 | 112.3 | I60 | I60-P65 VanDerWaalsContact O-CA 3.32Å; I60-P65 WeakPolarHBondContact O-CA 3.28Å | ||
| 66 | G | 91.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -176.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q59 I60 K64 C105 | Q59-G66 CarbonylContact C-O 3.59Å; Q59-G66 WeakPolarHBondContact CA-O 3.32Å; I60-G66 PolarHBondContact N-O 2.82Å; I60-G66 PolarHBondContact O-N 2.85Å; K64-G66 PolarHBondContact O-N 3.16Å; G66-C105 VanDerWaalsContact CA-O 3.3Å; G66-C105 WeakPolarHBondContact CA-O 3.17Å |
| 67 | L | 92.4 | Very high | 91.9 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.2 | 173.7 | -67.2 | 173.3 | 0 | 0 | 0 | 110.5 | R57 Q59 Y69 C105 F106 A107 | R57-L67 HydrophobicContact CG-CD2 4.48Å; Q59-L67 HydrophobicContact CG-CD2 4.09Å; L67-Y69 HydrophobicContact CB-CE2 3.99Å; L67-Y69 HydrophobicContact CD1-CE2 4.44Å; L67-C105 PolarHBondContact N-O 3.45Å; L67-F106 HydrophobicContact CB-CB 3.98Å; L67-F106 CarbonylContact O-C 3.59Å; L67-F106 WeakPolarHBondContact O-CA 3.49Å; L67-A107 PolarHBondContact O-N 3Å |
| 68 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.2 | 167.1 | 177.8 | 64 | 0 | 0 | 0 | 109.2 | R57 T58 I60 I70 L95 A107 L109 A139 M145 L147 | R57-L68 CarbonylContact C-O 3.55Å; R57-L68 VanDerWaalsContact CA-O 3.26Å; R57-L68 WeakPolarHBondContact CA-O 3.32Å; T58-L68 HydrophobicContact CG2-CB 4.04Å; T58-L68 HydrophobicContact CG2-CD2 4.33Å; T58-L68 PolarHBondContact N-O 2.88Å; T58-L68 PolarHBondContact O-N 3.19Å; I60-L68 HydrophobicContact CD1-CB 4.06Å; I60-L68 HydrophobicContact CG1-CB 3.74Å; L68-I70 HydrophobicContact CD1-CG1 4.4Å; L68-I70 HydrophobicContact CD2-CD1 3.8Å; L68-I70 HydrophobicContact CD2-CG1 3.79Å; L68-I70 HydrophobicContact CG-CD1 4.39Å; L68-I70 HydrophobicContact CG-CG1 3.82Å; L68-L95 HydrophobicContact CD1-CD1 3.95Å; L68-A107 HydrophobicContact CD1-CB 3.94Å; L68-L109 HydrophobicContact CD1-CB 4.28Å; L68-A139 HydrophobicContact CD2-CB 4.11Å; L68-M145 HydrophobicContact CD2-SD 3.93Å; L68-L147 HydrophobicContact CB-CD2 4.37Å; L68-L147 HydrophobicContact CD2-CD1 3.72Å; L68-L147 HydrophobicContact CD2-CD2 3.72Å; L68-L147 HydrophobicContact CD2-CG 4.39Å |
| 69 | Y | 93.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.8 | 167.1 | -65.7 | -93.8 | 0 | 0 | 0 | 108.8 | V56 R57 L67 F106 A107 V108 L109 K159 | V56-Y69 CarbonylContact O-C 3.46Å; V56-Y69 WeakPolarHBondContact O-CA 3.49Å; R57-Y69 HydrophobicContact CB-CD1 4.02Å; R57-Y69 HydrophobicContact CB-CE1 3.99Å; R57-Y69 HydrophobicContact CG-CD1 4.14Å; R57-Y69 HydrophobicContact CG-CE1 3.79Å; L67-Y69 HydrophobicContact CB-CE2 3.99Å; L67-Y69 HydrophobicContact CD1-CE2 4.44Å; Y69-F106 HydrophobicContact CD2-CB 4.32Å; Y69-F106 HydrophobicContact CD2-CD2 4.03Å; Y69-F106 HydrophobicContact CE2-CB 4.07Å; Y69-F106 HydrophobicContact CE2-CD2 4.17Å; Y69-F106 HydrophobicContact CE2-CG 4.3Å; Y69-A107 PolarHBondContact N-O 3.48Å; Y69-V108 CarbonylContact O-C 3.58Å; Y69-V108 WeakPolarHBondContact O-CA 3.28Å; Y69-L109 PolarHBondContact O-N 3.26Å; Y69-K159 HydrophobicContact CD1-CB 3.93Å; Y69-K159 HydrophobicContact CD1-CD 4.43Å; Y69-K159 HydrophobicContact CD1-CG 3.91Å; Y69-K159 HydrophobicContact CD2-CG 3.94Å; Y69-K159 HydrophobicContact CE1-CD 4.33Å; Y69-K159 HydrophobicContact CE1-CG 4.28Å; Y69-K159 HydrophobicContact CE2-CG 4.33Å; Y69-K159 HydrophobicContact CG-CB 3.93Å; Y69-K159 HydrophobicContact CG-CG 3.72Å |
| 70 | I | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.3 | 174.2 | -49.8 | -177.2 | 0 | 0 | 0 | 108.4 | C55 V56 L68 I72 L109 V111 A135 L136 A139 | C55-I70 WeakPolarHBondContact CA-O 3.29Å; V56-I70 PolarHBondContact N-O 3.45Å; V56-I70 PolarHBondContact O-N 3.19Å; L68-I70 HydrophobicContact CD1-CG1 4.4Å; L68-I70 HydrophobicContact CD2-CD1 3.8Å; L68-I70 HydrophobicContact CD2-CG1 3.79Å; L68-I70 HydrophobicContact CG-CD1 4.39Å; L68-I70 HydrophobicContact CG-CG1 3.82Å; I70-I72 HydrophobicContact CG2-CG1 4.48Å; I70-L109 CarbonylContact C-O 3.52Å; I70-L109 VanDerWaalsContact CA-O 3.22Å; I70-L109 WeakPolarHBondContact CA-O 3.3Å; I70-L109 HydrophobicContact CG1-CB 4.44Å; I70-V111 HydrophobicContact CG2-CB 4.25Å; I70-V111 HydrophobicContact CG2-CG2 3.73Å; I70-A135 HydrophobicContact CG2-CB 4.25Å; I70-L136 HydrophobicContact CD1-CD2 3.89Å; I70-L136 HydrophobicContact CD1-CG 4.48Å; I70-A139 HydrophobicContact CD1-CB 3.94Å |
| 71 | N | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.1 | 172.2 | -59.8 | -47 | 0 | 0 | 0 | 109.1 | L52 C55 L109 D110 V111 K159 L165 | L52-N71 HydrophobicContact CD1-CB 3.7Å; C55-N71 PolarHBondContact SG-OD1 3.32Å; N71-L109 PolarHBondContact N-O 3.14Å; N71-D110 WeakPolarHBondContact CB-OD1 3.36Å; N71-D110 PolarHBondContact ND2-OD1 2.82Å; N71-D110 CarbonylContact O-C 3.57Å; N71-D110 WeakPolarHBondContact O-CA 3.38Å; N71-V111 PolarHBondContact O-N 3.42Å; N71-K159 PolarHBondContact ND2-O 3.24Å; N71-K159 PolarHBondContact OD1-N 3.16Å; N71-L165 HydrophobicContact CB-CD1 4.15Å |
| 72 | I | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125 | 178.9 | -61.3 | 166.4 | 0 | 0 | 0 | 108.3 | H53 S54 V56 I70 V111 L113 L118 I131 Y132 A135 | H53-I72 WeakPolarHBondContact CA-O 3.28Å; H53-I72 WeakPolarHBondContact CB-O 3.41Å; H53-I72 PolarHBondContact N-O 2.79Å; S54-I72 PolarHBondContact N-O 3.13Å; S54-I72 PolarHBondContact O-N 3.2Å; V56-I72 HydrophobicContact CG2-CD1 3.85Å; I70-I72 HydrophobicContact CG2-CG1 4.48Å; I72-V111 CarbonylContact C-O 3.59Å; I72-V111 WeakPolarHBondContact CA-O 3.5Å; I72-L113 HydrophobicContact CG2-CD1 4.15Å; I72-L118 HydrophobicContact CG2-CD2 4.29Å; I72-I131 HydrophobicContact CG2-CG2 4.44Å; I72-Y132 HydrophobicContact CD1-CD1 3.3Å; I72-Y132 HydrophobicContact CD1-CE1 3.54Å; I72-A135 HydrophobicContact CD1-CB 4.38Å; I72-A135 HydrophobicContact CG1-CB 4.47Å |
| 73 | C | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.2 | -170.7 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | P50 E51 V111 A112 L113 L169 | P50-C73 HydrophobicContact CB-CB 4.08Å; E51-C73 CarbonylContact O-C 3.57Å; E51-C73 WeakPolarHBondContact O-CA 3.39Å; C73-V111 PolarHBondContact N-O 3.48Å; C73-A112 HydrophobicContact CB-CB 4.26Å; C73-A112 WeakPolarHBondContact O-CA 3.44Å; C73-L113 PolarHBondContact O-N 2.89Å; C73-L169 HydrophobicContact CB-CD1 4.19Å |
| 74 | S | 92.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.5 | 170 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | E51 P115 | E51-S74 PolarHBondContact N-O 3.47Å; E51-S74 PolarHBondContact O-N 3.01Å; S74-P115 WeakPolarHBondContact OG-CB 3.34Å; S74-P115 VanDerWaalsContact OG-CG 3.26Å; S74-P115 WeakPolarHBondContact OG-CG 3.29Å |
| 75 | W | 92.7 | Very high | 87.5 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -144.8 | 121 | -178.7 | -164.4 | 25.1 | 0 | 0 | 0 | 112.8 | A48 P50 R77 V78 A112 L113 L169 F171 | A48-W75 PolarHBondContact O-NE1 3.34Å; P50-W75 HydrophobicContact CB-CB 4.05Å; P50-W75 HydrophobicContact CB-CD2 4.13Å; P50-W75 HydrophobicContact CB-CG 3.9Å; W75-R77 HydrophobicContact CD2-CB 3.85Å; W75-R77 HydrophobicContact CE3-CB 4.39Å; W75-R77 HydrophobicContact CG-CB 4.22Å; W75-R77 HydrophobicContact CH2-CB 4.48Å; W75-R77 HydrophobicContact CZ2-CB 3.91Å; W75-R77 HydrophobicContact CZ2-CG 4.29Å; W75-R77 PolarHBondContact O-N 2.83Å; W75-V78 HydrophobicContact CB-CG2 4.3Å; W75-V78 HydrophobicContact CE3-CG2 4.27Å; W75-V78 PolarHBondContact O-N 2.99Å; W75-V78 VanDerWaalsContact O-N 3.14Å; W75-A112 HydrophobicContact CB-CB 3.92Å; W75-A112 HydrophobicContact CE3-CB 3.87Å; W75-L113 PolarHBondContact N-O 2.77Å; W75-L169 WeakPolarHBondContact CH2-O 3.41Å; W75-L169 HydrophobicContact CZ3-CB 4.07Å; W75-L169 WeakPolarHBondContact CZ3-O 3.31Å; W75-F171 HydrophobicContact CH2-CB 4.43Å; W75-F171 HydrophobicContact CZ2-CB 4.22Å; W75-F171 AromaticContact CZ2-CD2 3.87Å; W75-F171 HydrophobicContact CZ2-CD2 3.87Å | ||
| 76 | K | 90.2 | Very high | 86.5 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.8 | -177.5 | -74.9 | -73.9 | -173 | 174.2 | 0 | 113.8 | E45 F46 V78 P115 | E45-K76 WeakPolarHBondContact O-CB 3.28Å; F46-K76 HydrophobicContact CD1-CB 4.43Å; K76-V78 PolarHBondContact O-N 2.87Å; K76-P115 HydrophobicContact CD-CG 3.78Å; K76-P115 HydrophobicContact CG-CG 3.97Å |
| 77 | R | 88.5 | Confident | 86 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26.3 | 175.5 | -168.5 | 175.1 | -72.9 | -175.1 | -8.1 | 112.4 | N47 W75 | N47-R77 PolarHBondContact OD1-NH2 3.4Å; W75-R77 HydrophobicContact CD2-CB 3.85Å; W75-R77 HydrophobicContact CE3-CB 4.39Å; W75-R77 HydrophobicContact CG-CB 4.22Å; W75-R77 HydrophobicContact CH2-CB 4.48Å; W75-R77 HydrophobicContact CZ2-CB 3.91Å; W75-R77 HydrophobicContact CZ2-CG 4.29Å; W75-R77 PolarHBondContact O-N 2.83Å |
| 78 | V | 90.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -72.6 | 127 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | W75 K76 P89 C91 A112 N114 | W75-V78 HydrophobicContact CB-CG2 4.3Å; W75-V78 HydrophobicContact CE3-CG2 4.27Å; W75-V78 PolarHBondContact O-N 2.99Å; W75-V78 VanDerWaalsContact O-N 3.14Å; K76-V78 PolarHBondContact O-N 2.87Å; V78-P89 HydrophobicContact CG1-CB 4.24Å; V78-C91 HydrophobicContact CG2-CB 3.8Å; V78-A112 HydrophobicContact CG2-CB 3.91Å; V78-N114 WeakPolarHBondContact O-CB 3.44Å; V78-N114 PolarHBondContact O-ND2 2.79Å |
| 79 | P | 88.9 | Confident | 85.4 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.6 | -178.5 | 24.8 | -33.1 | 0 | 0 | 0 | 111 | P89 | P79-P89 HydrophobicContact CG-CB 3.92Å; P79-P89 HydrophobicContact CG-CG 4.34Å |
| 80 | P | 88.3 | Confident | 85.3 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 152 | 173 | 29.9 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 81 | P | 84.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.7 | 170.7 | 26.8 | -33.8 | 0 | 0 | 0 | 109.8 | L88 V117 | P81-L88 HydrophobicContact CB-CD2 4.16Å; P81-L88 HydrophobicContact CG-CD2 4.3Å; P81-V117 HydrophobicContact CG-CG2 3.93Å |
| 82 | Q | 78.6 | Confident | 85.1 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 80% | 0.799 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -73.1 | -42.2 | -178.6 | -64.3 | -177.2 | 4.3 | 0 | 0 | 110.6 | ||
| 83 | D | 78.1 | Confident | 85 | Confident | 106 Ų | 106 | 66 Ų | 66 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -141.5 | 163 | -179.7 | -64.8 | -59.1 | 0 | 0 | 0 | 112.1 | S85 S86 | D83-S85 PolarHBondContact O-N 2.93Å; D83-S86 PolarHBondContact N-OG 3.29Å; D83-S86 PolarHBondContact O-N 3.24Å; D83-S86 PolarHBondContact O-OG 3.49Å |
| 84 | Q | 66.7 | Low | 85 | Confident | 207 Ų | 207 | 73.9 Ų | 73.9 | 97% | 0.967 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.6 | 179.6 | -64.9 | -174.6 | 32.4 | 0 | 0 | 113.9 | ||
| 85 | S | 63.6 | Low | 85 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 83% | 0.832 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4.6 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | D83 | D83-S85 PolarHBondContact O-N 2.93Š|
| 86 | S | 68.7 | Low | 84.9 | Confident | 41 Ų | 41 | 77.4 Ų | 77.4 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -81.8 | 151.3 | -179.4 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | D83 | D83-S86 PolarHBondContact N-OG 3.29Å; D83-S86 PolarHBondContact O-N 3.24Å; D83-S86 PolarHBondContact O-OG 3.49Å |
| 87 | S | 80.1 | Confident | 84.8 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 81% | 0.811 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 138.1 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | P89 | S87-P89 VanDerWaalsContact O-CD 3.3Å; S87-P89 WeakPolarHBondContact O-CD 3.31Å |
| 88 | L | 84.8 | Confident | 84.5 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 120.6 | -179.1 | -68.9 | 175.5 | 0 | 0 | 0 | 110.5 | P81 L90 V117 L134 | P81-L88 HydrophobicContact CB-CD2 4.16Å; P81-L88 HydrophobicContact CG-CD2 4.3Å; L88-L90 PolarHBondContact O-N 2.89Å; L88-V117 HydrophobicContact CD1-CG1 4.23Å; L88-V117 HydrophobicContact CD2-CG1 4.14Å; L88-V117 HydrophobicContact CD2-CG2 4.1Å; L88-L134 HydrophobicContact CB-CD2 4.01Å; L88-L134 HydrophobicContact CD1-CD2 4.05Å |
| 89 | P | 89.4 | Confident | 83.8 | Confident | 37 Ų | 37 | 82 Ų | 82 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 130.3 | 172.9 | -18.7 | 32.5 | 0 | 0 | 0 | 110.2 | V78 P79 S87 L113 | V78-P89 HydrophobicContact CG1-CB 4.24Å; P79-P89 HydrophobicContact CG-CB 3.92Å; P79-P89 HydrophobicContact CG-CG 4.34Å; S87-P89 VanDerWaalsContact O-CD 3.3Å; S87-P89 WeakPolarHBondContact O-CD 3.31Å; P89-L113 WeakPolarHBondContact O-CD2 3.42Å |
| 90 | L | 90.6 | Very high | 82.4 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135 | -175.7 | 179.5 | 143.6 | 0 | 0 | 0 | 109 | L88 V111 L113 L134 F138 | L88-L90 PolarHBondContact O-N 2.89Å; L90-V111 HydrophobicContact CD1-CG1 3.41Å; L90-V111 VanDerWaalsContact CD1-CG1 3.41Å; L90-V111 HydrophobicContact CD2-CG1 3.67Å; L90-V111 HydrophobicContact CG-CG1 3.43Å; L90-V111 VanDerWaalsContact CG-CG1 3.43Å; L90-L113 HydrophobicContact CB-CD2 4.19Å; L90-L113 HydrophobicContact CD1-CD2 4.14Å; L90-L113 HydrophobicContact CD1-CG 4.38Å; L90-L113 HydrophobicContact CG-CD2 4.44Å; L90-L134 HydrophobicContact CD1-CD2 4.03Å; L90-L134 HydrophobicContact CD1-CG 4.07Å; L90-F138 HydrophobicContact CD2-CB 4.09Å; L90-F138 HydrophobicContact CD2-CD1 3.84Å; L90-F138 HydrophobicContact CD2-CD2 3.39Å; L90-F138 HydrophobicContact CD2-CE1 4.14Å; L90-F138 HydrophobicContact CD2-CE2 3.69Å; L90-F138 HydrophobicContact CD2-CG 3.47Å; L90-F138 VanDerWaalsContact CD2-CG 3.47Å; L90-F138 HydrophobicContact CD2-CZ 4.08Å |
| 91 | C | 91.9 | Very high | 80.8 | Confident | 41 Ų | 41 | 86 Ų | 86 | 28% | 0.277 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.3 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | V78 V111 A112 | V78-C91 HydrophobicContact CG2-CB 3.8Å; C91-V111 CarbonylContact O-C 3.53Å; C91-V111 VanDerWaalsContact O-CA 3.31Å; C91-V111 WeakPolarHBondContact O-CA 3.5Å; C91-A112 HydrophobicContact CB-CB 4.28Å; C91-A112 PolarHBondContact N-O 3.49Å; C91-A112 PolarHBondContact O-N 2.97Å |
| 92 | G | 93.4 | Very high | 79.4 | Confident | 31 Ų | 31 | 92 Ų | 92 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 93 | G | 91.2 | Very high | 78.4 | Confident | 7 Ų | 7 | 90.5 Ų | 90.5 | 7% | 0.072 | 49% | 0.489 | C | S | . | . | trans | -85.2 | -178.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L109 D110 R168 | G93-L109 VanDerWaalsContact O-CD1 3.28Å; G93-L109 WeakPolarHBondContact O-CD1 3.38Å; G93-D110 PolarHBondContact N-O 3.45Å; G93-R168 CarbonylContact C-O 3.48Å; G93-R168 WeakPolarHBondContact CA-O 2.93Å | ||
| 94 | K | 91.9 | Very high | 78 | Confident | 164 Ų | 164 | 87.5 Ų | 87.5 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | trans | -65.3 | 132.4 | 173 | -173 | 175.4 | -179 | 176.7 | 0 | 110.6 | E96 R168 | K94-E96 PolarHBondContact O-N 2.91Å; K94-R168 PolarHBondContact N-O 2.81Å; K94-R168 WeakPolarHBondContact O-CD 3.28Å | ||
| 95 | L | 91.6 | Very high | 78.8 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 14% | 0.141 | 45% | 0.451 | C | S | . | . | trans | -73.3 | 123.6 | 171.4 | -177.8 | 73.9 | 0 | 0 | 0 | 110.2 | L68 A107 L109 H143 M145 | L68-L95 HydrophobicContact CD1-CD1 3.95Å; L95-A107 HydrophobicContact CD1-CB 4.05Å; L95-L109 HydrophobicContact CD1-CB 3.93Å; L95-H143 HydrophobicContact CD2-CB 4.18Å; L95-M145 HydrophobicContact CD1-CE 4.07Å; L95-M145 HydrophobicContact CD2-CE 3.47Å; L95-M145 VanDerWaalsContact CD2-CE 3.47Å; L95-M145 HydrophobicContact CG-CE 4.42Å | ||
| 96 | E | 90.8 | Very high | 80 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 36% | 0.36 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.7 | 177.2 | -171.4 | 175.8 | 174.8 | 0 | 0 | 110.4 | K94 A107 V108 R168 | K94-E96 PolarHBondContact O-N 2.91Å; E96-A107 CarbonylContact O-C 3.58Å; E96-A107 WeakPolarHBondContact O-CA 3.3Å; E96-A107 WeakPolarHBondContact O-CB 3.49Å; E96-V108 PolarHBondContact N-O 3.33Å; E96-V108 PolarHBondContact O-N 2.93Å; E96-R168 WeakPolarHBondContact OE2-CD 3.19Å; E96-R168 IonicContact OE2-CZ 3.9Å; E96-R168 IonicContact OE2-NE 2.83Å; E96-R168 IonicContact OE2-NH1 3.7Å; E96-R168 PolarHBondContact OE2-NH1 3.13Å |
| 97 | R | 88.9 | Confident | 81.1 | Confident | 148 Ų | 148 | 73.8 Ų | 73.8 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.9 | 175.8 | -59.9 | -175.3 | -154.7 | -87.4 | 0.5 | 108.9 | A107 | R97-A107 HydrophobicContact CG-CB 4.3Å |
| 98 | C | 81.5 | Confident | 81.7 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133 | 178.2 | -54.5 | 0 | 0 | 0 | 0 | 109.4 | F106 | C98-F106 HydrophobicContact CB-CD1 4.06Å; C98-F106 HydrophobicContact CB-CD2 3.98Å; C98-F106 HydrophobicContact CB-CE1 3.57Å; C98-F106 HydrophobicContact CB-CE2 3.47Å; C98-F106 VanDerWaalsContact CB-CE2 3.47Å; C98-F106 HydrophobicContact CB-CG 4.25Å; C98-F106 HydrophobicContact CB-CZ 3.25Å; C98-F106 PolarHBondContact N-O 3.11Å; C98-F106 PolarHBondContact O-N 3.18Å |
| 99 | N | 77 | Confident | 82.1 | Confident | 125 Ų | 125 | 66 Ų | 66 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 108.7 | 170.3 | -62.2 | -29.7 | 0 | 0 | 0 | 107 | C105 | N99-C105 PolarHBondContact OD1-SG 3.33Å |
| 100 | G | 58.8 | Low | 82.4 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | D102 G104 | G100-D102 PolarHBondContact O-N 3.19Å; G100-G104 PolarHBondContact N-O 3.26Å |
| 101 | E | 54.5 | Low | 82.6 | Confident | 199 Ų | 199 | 62.2 Ų | 62.2 | 93% | 0.93 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.1 | 177.4 | -66.9 | 177.7 | 156.5 | 0 | 0 | 111.9 | ||
| 102 | D | 55.4 | Low | 82.7 | Confident | 164 Ų | 164 | 60.3 Ų | 60.3 | 88% | 0.877 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -12.4 | -176.2 | -67.5 | -30 | 0 | 0 | 0 | 116.3 | G100 | G100-D102 PolarHBondContact O-N 3.19Š|
| 103 | Q | 56.7 | Low | 82.7 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 5.2 | -172 | -73.7 | -177.5 | 8.7 | 0 | 0 | 114.7 | ||
| 104 | G | 71.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.4 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G100 F106 | G100-G104 PolarHBondContact N-O 3.26Å; G104-F106 PolarHBondContact O-N 3.02Å |
| 105 | C | 81.9 | Confident | 82.7 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 30% | 0.297 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.3 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 110 | K64 G66 L67 N99 | K64-C105 PolarHBondContact NZ-SG 2.85Å; G66-C105 VanDerWaalsContact CA-O 3.3Å; G66-C105 WeakPolarHBondContact CA-O 3.17Å; L67-C105 PolarHBondContact N-O 3.45Å; N99-C105 PolarHBondContact OD1-SG 3.33Å |
| 106 | F | 89.4 | Confident | 82.6 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.3 | 169.6 | 69.8 | -87.6 | 0 | 0 | 0 | 111.1 | L67 Y69 C98 G104 V108 K159 | L67-F106 HydrophobicContact CB-CB 3.98Å; L67-F106 CarbonylContact O-C 3.59Å; L67-F106 WeakPolarHBondContact O-CA 3.49Å; Y69-F106 HydrophobicContact CD2-CB 4.32Å; Y69-F106 HydrophobicContact CD2-CD2 4.03Å; Y69-F106 HydrophobicContact CE2-CB 4.07Å; Y69-F106 HydrophobicContact CE2-CD2 4.17Å; Y69-F106 HydrophobicContact CE2-CG 4.3Å; C98-F106 HydrophobicContact CB-CD1 4.06Å; C98-F106 HydrophobicContact CB-CD2 3.98Å; C98-F106 HydrophobicContact CB-CE1 3.57Å; C98-F106 HydrophobicContact CB-CE2 3.47Å; C98-F106 VanDerWaalsContact CB-CE2 3.47Å; C98-F106 HydrophobicContact CB-CG 4.25Å; C98-F106 HydrophobicContact CB-CZ 3.25Å; C98-F106 PolarHBondContact N-O 3.11Å; C98-F106 PolarHBondContact O-N 3.18Å; G104-F106 PolarHBondContact O-N 3.02Å; F106-V108 HydrophobicContact CD2-CG2 3.97Å; F106-V108 HydrophobicContact CE2-CG2 3.84Å; F106-K159 HydrophobicContact CE2-CG 4.39Å |
| 107 | A | 91.7 | Very high | 82.5 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | I60 L67 L68 Y69 L95 E96 R97 | I60-A107 HydrophobicContact CD1-CB 4.07Å; L67-A107 PolarHBondContact O-N 3Å; L68-A107 HydrophobicContact CD1-CB 3.94Å; Y69-A107 PolarHBondContact N-O 3.48Å; L95-A107 HydrophobicContact CD1-CB 4.05Å; E96-A107 CarbonylContact O-C 3.58Å; E96-A107 WeakPolarHBondContact O-CA 3.3Å; E96-A107 WeakPolarHBondContact O-CB 3.49Å; R97-A107 HydrophobicContact CG-CB 4.3Å |
| 108 | V | 92.8 | Very high | 82.3 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.5 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | Y69 E96 F106 K159 | Y69-V108 CarbonylContact O-C 3.58Å; Y69-V108 WeakPolarHBondContact O-CA 3.28Å; E96-V108 PolarHBondContact N-O 3.33Å; E96-V108 PolarHBondContact O-N 2.93Å; F106-V108 HydrophobicContact CD2-CG2 3.97Å; F106-V108 HydrophobicContact CE2-CG2 3.84Å; V108-K159 WeakPolarHBondContact CG1-O 3.41Å; V108-K159 HydrophobicContact CG2-CG 4.15Å |
| 109 | L | 93.9 | Very high | 82 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.8 | 172.8 | 178.9 | 63.5 | 0 | 0 | 0 | 108.2 | L68 Y69 I70 N71 G93 L95 V111 F138 A139 H143 | L68-L109 HydrophobicContact CD1-CB 4.28Å; Y69-L109 PolarHBondContact O-N 3.26Å; I70-L109 CarbonylContact C-O 3.52Å; I70-L109 VanDerWaalsContact CA-O 3.22Å; I70-L109 WeakPolarHBondContact CA-O 3.3Å; I70-L109 HydrophobicContact CG1-CB 4.44Å; N71-L109 PolarHBondContact N-O 3.14Å; G93-L109 VanDerWaalsContact O-CD1 3.28Å; G93-L109 WeakPolarHBondContact O-CD1 3.38Å; L95-L109 HydrophobicContact CD1-CB 3.93Å; L109-V111 HydrophobicContact CD2-CG2 4.13Å; L109-V111 HydrophobicContact CG-CG2 4.15Å; L109-F138 HydrophobicContact CD2-CD1 4.28Å; L109-F138 HydrophobicContact CD2-CE1 4.25Å; L109-A139 HydrophobicContact CD2-CB 3.62Å; L109-H143 WeakPolarHBondContact CD1-NE2 3.26Å |
| 110 | D | 94.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.3 | 169.4 | -53.2 | -50.9 | 0 | 0 | 0 | 109.9 | N71 G93 L165 R168 L169 | N71-D110 WeakPolarHBondContact CB-OD1 3.36Å; N71-D110 PolarHBondContact ND2-OD1 2.82Å; N71-D110 CarbonylContact O-C 3.57Å; N71-D110 WeakPolarHBondContact O-CA 3.38Å; G93-D110 PolarHBondContact N-O 3.45Å; D110-L165 HydrophobicContact CB-CG 4.43Å; D110-L165 VanDerWaalsContact OD2-CA 3.28Å; D110-L165 WeakPolarHBondContact OD2-CA 3.41Å; D110-R168 IonicContact OD1-CZ 3.99Å; D110-R168 IonicContact OD1-NE 3.71Å; D110-R168 IonicContact OD1-NH2 3.76Å; D110-R168 PolarHBondContact OD1-NH2 2.67Å; D110-R168 VanDerWaalsContact OD2-CB 3.26Å; D110-R168 WeakPolarHBondContact OD2-CB 3.38Å; D110-R168 IonicContact OD2-CZ 3.29Å; D110-R168 IonicContact OD2-NE 2.74Å; D110-R168 PolarHBondContact OD2-NE 2.97Å; D110-R168 IonicContact OD2-NH2 3.18Å; D110-R168 PolarHBondContact OD2-NH2 3.3Å; D110-L169 HydrophobicContact CB-CD1 4.12Å; D110-L169 HydrophobicContact CB-CD2 4.02Å; D110-L169 HydrophobicContact CB-CG 3.79Å |
| 111 | V | 95.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131 | 179.7 | 173 | 0 | 0 | 0 | 0 | 108 | I70 N71 I72 C73 L90 C91 L109 F138 | I70-V111 HydrophobicContact CG2-CB 4.25Å; I70-V111 HydrophobicContact CG2-CG2 3.73Å; N71-V111 PolarHBondContact O-N 3.42Å; I72-V111 CarbonylContact C-O 3.59Å; I72-V111 WeakPolarHBondContact CA-O 3.5Å; C73-V111 PolarHBondContact N-O 3.48Å; L90-V111 HydrophobicContact CD1-CG1 3.41Å; L90-V111 VanDerWaalsContact CD1-CG1 3.41Å; L90-V111 HydrophobicContact CD2-CG1 3.67Å; L90-V111 HydrophobicContact CG-CG1 3.43Å; L90-V111 VanDerWaalsContact CG-CG1 3.43Å; C91-V111 CarbonylContact O-C 3.53Å; C91-V111 VanDerWaalsContact O-CA 3.31Å; C91-V111 WeakPolarHBondContact O-CA 3.5Å; L109-V111 HydrophobicContact CD2-CG2 4.13Å; L109-V111 HydrophobicContact CG-CG2 4.15Å; V111-F138 HydrophobicContact CG2-CD1 4.07Å; V111-F138 HydrophobicContact CG2-CE1 4.26Å |
| 112 | A | 94.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C73 W75 V78 C91 L169 | C73-A112 HydrophobicContact CB-CB 4.26Å; C73-A112 WeakPolarHBondContact O-CA 3.44Å; W75-A112 HydrophobicContact CB-CB 3.92Å; W75-A112 HydrophobicContact CE3-CB 3.87Å; V78-A112 HydrophobicContact CG2-CB 3.91Å; C91-A112 HydrophobicContact CB-CB 4.28Å; C91-A112 PolarHBondContact N-O 3.49Å; C91-A112 PolarHBondContact O-N 2.97Å; A112-L169 HydrophobicContact CB-CD1 4.01Å; A112-L169 HydrophobicContact CB-CD2 3.98Å |
| 113 | L | 93.5 | Very high | 81.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.2 | 176.9 | -74.7 | 152.8 | 0 | 0 | 0 | 109.5 | I72 C73 W75 P89 L90 V117 L118 I131 | I72-L113 HydrophobicContact CG2-CD1 4.15Å; C73-L113 PolarHBondContact O-N 2.89Å; W75-L113 PolarHBondContact N-O 2.77Å; P89-L113 WeakPolarHBondContact O-CD2 3.42Å; L90-L113 HydrophobicContact CB-CD2 4.19Å; L90-L113 HydrophobicContact CD1-CD2 4.14Å; L90-L113 HydrophobicContact CD1-CG 4.38Å; L90-L113 HydrophobicContact CG-CD2 4.44Å; L113-V117 HydrophobicContact CD2-CG1 4.49Å; L113-L118 HydrophobicContact CB-CD1 4.3Å; L113-L118 HydrophobicContact CB-CD2 4.42Å; L113-L118 HydrophobicContact CB-CG 4.23Å; L113-L118 HydrophobicContact CD1-CD2 3.95Å; L113-I131 HydrophobicContact CD1-CG2 3.54Å |
| 114 | N | 92.3 | Very high | 81.6 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | trans | -63 | 138.6 | 172.9 | -173.2 | -84.4 | 0 | 0 | 0 | 110.2 | V78 S116 V117 | V78-N114 WeakPolarHBondContact O-CB 3.44Å; V78-N114 PolarHBondContact O-ND2 2.79Å; N114-S116 PolarHBondContact O-N 3.47Å; N114-S116 VanDerWaalsContact OD1-CB 3.27Å; N114-S116 WeakPolarHBondContact OD1-CB 3.45Å; N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 3.21Å; N114-V117 HydrophobicContact CB-CG2 4.44Å; N114-V117 WeakPolarHBondContact O-CB 3.3Å; N114-V117 PolarHBondContact O-N 3.09Å | ||
| 115 | P | 91.1 | Very high | 81.3 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.6 | -30.1 | -179 | -24.1 | 30 | 0 | 0 | 0 | 113.9 | S74 K76 V117 L118 Q119 | S74-P115 WeakPolarHBondContact OG-CB 3.34Å; S74-P115 VanDerWaalsContact OG-CG 3.26Å; S74-P115 WeakPolarHBondContact OG-CG 3.29Å; K76-P115 HydrophobicContact CD-CG 3.78Å; K76-P115 HydrophobicContact CG-CG 3.97Å; P115-V117 PolarHBondContact O-N 2.89Å; P115-L118 PolarHBondContact O-N 2.84Å; P115-Q119 VanDerWaalsContact O-CB 3.31Å; P115-Q119 WeakPolarHBondContact O-CB 3.45Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.42Å; P115-Q119 PolarHBondContact O-N 3.49Å |
| 116 | S | 88.6 | Confident | 80.3 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -25.4 | 178.1 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | N114 K120 | N114-S116 PolarHBondContact O-N 3.47Å; N114-S116 VanDerWaalsContact OD1-CB 3.27Å; N114-S116 WeakPolarHBondContact OD1-CB 3.45Å; N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 3.21Å; S116-K120 WeakPolarHBondContact O-CG 3.48Å |
| 117 | V | 87.7 | Confident | 79.8 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.9 | -40.8 | 176 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | P81 L88 L113 N114 P115 R121 I131 | P81-V117 HydrophobicContact CG-CG2 3.93Å; L88-V117 HydrophobicContact CD1-CG1 4.23Å; L88-V117 HydrophobicContact CD2-CG1 4.14Å; L88-V117 HydrophobicContact CD2-CG2 4.1Å; L113-V117 HydrophobicContact CD2-CG1 4.49Å; N114-V117 HydrophobicContact CB-CG2 4.44Å; N114-V117 WeakPolarHBondContact O-CB 3.3Å; N114-V117 PolarHBondContact O-N 3.09Å; P115-V117 PolarHBondContact O-N 2.89Å; V117-R121 WeakPolarHBondContact O-CD 3.32Å; V117-R121 WeakPolarHBondContact O-CG 3.43Å; V117-I131 HydrophobicContact CG1-CD1 4.09Å |
| 118 | L | 85.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -82.1 | -28.7 | -176.7 | -60 | 177.2 | 0 | 0 | 0 | 112.8 | H53 I72 L113 P115 I131 | H53-L118 HydrophobicContact CB-CD1 4.03Å; I72-L118 HydrophobicContact CG2-CD2 4.29Å; L113-L118 HydrophobicContact CB-CD1 4.3Å; L113-L118 HydrophobicContact CB-CD2 4.42Å; L113-L118 HydrophobicContact CB-CG 4.23Å; L113-L118 HydrophobicContact CD1-CD2 3.95Å; P115-L118 PolarHBondContact O-N 2.84Å; L118-I131 HydrophobicContact CD2-CD1 4.05Å; L118-I131 HydrophobicContact CD2-CG2 4.37Å |
| 119 | Q | 76.5 | Confident | 79.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -79.1 | -44.7 | -178.3 | -73 | 175 | 3.9 | 0 | 0 | 113.1 | P115 R121 K122 | P115-Q119 VanDerWaalsContact O-CB 3.31Å; P115-Q119 WeakPolarHBondContact O-CB 3.45Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.42Å; P115-Q119 PolarHBondContact O-N 3.49Å; Q119-R121 PolarHBondContact O-N 2.82Å; Q119-R121 VanDerWaalsContact O-N 3.11Å; Q119-K122 PolarHBondContact O-N 2.77Å |
| 120 | K | 60.8 | Low | 78.9 | Confident | 169 Ų | 169 | 62.3 Ų | 62.3 | 74% | 0.735 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.7 | 179.5 | -74.6 | 179.5 | 177.2 | 179.3 | 0 | 113.6 | S116 | S116-K120 WeakPolarHBondContact O-CG 3.48Š|
| 121 | R | 60 | Low | 78.7 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 8.3 | -169.6 | -65.1 | -172.9 | 169.4 | -175.2 | 11.4 | 113.6 | V117 Q119 E123 D127 | V117-R121 WeakPolarHBondContact O-CD 3.32Å; V117-R121 WeakPolarHBondContact O-CG 3.43Å; Q119-R121 PolarHBondContact O-N 2.82Å; Q119-R121 VanDerWaalsContact O-N 3.11Å; R121-E123 VanDerWaalsContact C-N 3.29Å; R121-E123 PolarHBondContact O-N 2.75Å; R121-D127 HydrophobicContact CB-CB 3.97Å; R121-D127 HydrophobicContact CG-CB 3.78Å; R121-D127 WeakPolarHBondContact CG-OD2 3.33Å; R121-D127 IonicContact NE-OD1 3.6Å; R121-D127 IonicContact NE-OD2 3.88Å; R121-D127 PolarHBondContact NE-OD2 2.94Å; R121-D127 PolarHBondContact NH1-O 3.48Å |
| 122 | K | 54 | Low | 78.5 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -69.1 | -26.9 | 175 | -84.6 | -177.3 | 178.7 | 177.8 | 0 | 112.8 | Q119 | Q119-K122 PolarHBondContact O-N 2.77Š|
| 123 | E | 55.4 | Low | 78.4 | Confident | 182 Ų | 182 | 67.1 Ų | 67.1 | 85% | 0.85 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -82 | -23.6 | 176.9 | -89.8 | 91 | -147.5 | 0 | 0 | 114.2 | R121 | R121-E123 VanDerWaalsContact C-N 3.29Å; R121-E123 PolarHBondContact O-N 2.75Å |
| 124 | D | 63.4 | Low | 78.3 | Confident | 75 Ų | 75 | 70 Ų | 70 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | trans | -112.4 | 111.7 | -175.3 | -171.2 | -9.9 | 0 | 0 | 0 | 112.6 | V126 D127 I128 | D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 PolarHBondContact OD1-N 2.77Å; D124-D127 HydrophobicContact CB-CB 4.01Å; D124-D127 PolarHBondContact O-N 3.02Å; D124-I128 PolarHBondContact O-N 2.98Å | ||
| 125 | K | 64 | Low | 78.4 | Confident | 175 Ų | 175 | 69.4 Ų | 69.4 | 76% | 0.761 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64 | -28.6 | 178.9 | -71.1 | -176.7 | 178 | 178.5 | 0 | 113.2 | D127 I128 N129 | K125-D127 VanDerWaalsContact C-N 3.33Å; K125-I128 WeakPolarHBondContact O-CG2 3.32Å; K125-N129 VanDerWaalsContact O-CG 3.3Å; K125-N129 PolarHBondContact O-N 3.17Å; K125-N129 PolarHBondContact O-ND2 2.95Å |
| 126 | V | 62.2 | Low | 78.5 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.6 | -39.8 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | D124 N129 N130 | D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 PolarHBondContact OD1-N 2.77Å; V126-N129 PolarHBondContact O-N 2.71Å; V126-N130 PolarHBondContact O-N 3.42Å; V126-N130 PolarHBondContact O-ND2 3.46Å |
| 127 | D | 78.4 | Confident | 78.8 | Confident | 50 Ų | 50 | 70 Ų | 70 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.9 | -33.3 | -175.5 | -107.2 | 4.4 | 0 | 0 | 0 | 113.8 | R121 D124 K125 | R121-D127 HydrophobicContact CB-CB 3.97Å; R121-D127 HydrophobicContact CG-CB 3.78Å; R121-D127 WeakPolarHBondContact CG-OD2 3.33Å; R121-D127 IonicContact NE-OD1 3.6Å; R121-D127 IonicContact NE-OD2 3.88Å; R121-D127 PolarHBondContact NE-OD2 2.94Å; R121-D127 PolarHBondContact NH1-O 3.48Å; D124-D127 HydrophobicContact CB-CB 4.01Å; D124-D127 PolarHBondContact O-N 3.02Å; K125-D127 VanDerWaalsContact C-N 3.33Å |
| 128 | I | 84.9 | Confident | 79.1 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.4 | -33.7 | 174.8 | -163.1 | 64.2 | 0 | 0 | 0 | 112.4 | D124 K125 N130 I131 Y132 | D124-I128 PolarHBondContact O-N 2.98Å; K125-I128 WeakPolarHBondContact O-CG2 3.32Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 2.86Å; I128-I131 HydrophobicContact CD1-CB 4.39Å; I128-I131 HydrophobicContact CD1-CD1 3.8Å; I128-I131 WeakPolarHBondContact O-CB 3.48Å; I128-I131 PolarHBondContact O-N 3.29Å; I128-I131 VanDerWaalsContact O-N 3.07Å; I128-Y132 HydrophobicContact CD1-CE1 4.19Å; I128-Y132 HydrophobicContact CG1-CE1 3.87Å; I128-Y132 HydrophobicContact CG1-CE2 4.09Å; I128-Y132 WeakPolarHBondContact CG1-OH 3.31Å; I128-Y132 HydrophobicContact CG2-CE2 4.44Å; I128-Y132 PolarHBondContact O-N 3.42Å; I128-Y132 VanDerWaalsContact O-N 3.11Å |
| 129 | N | 86.8 | Confident | 79.5 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.3 | -74 | -16.2 | 0 | 0 | 0 | 111.4 | K125 V126 I131 Y132 M133 Y151 | K125-N129 VanDerWaalsContact O-CG 3.3Å; K125-N129 PolarHBondContact O-N 3.17Å; K125-N129 PolarHBondContact O-ND2 2.95Å; V126-N129 PolarHBondContact O-N 2.71Å; N129-I131 PolarHBondContact O-N 3.07Å; N129-Y132 WeakPolarHBondContact O-CB 3.4Å; N129-Y132 PolarHBondContact O-N 3.11Å; N129-Y132 VanDerWaalsContact O-N 3.11Å; N129-M133 WeakPolarHBondContact O-CG 3.28Å; N129-M133 PolarHBondContact O-N 3.4Å; N129-Y151 PolarHBondContact OD1-OH 2.83Å |
| 130 | N | 87.9 | Confident | 80.4 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 173.1 | -70.5 | -24.7 | 0 | 0 | 0 | 112.1 | V126 I128 L134 | V126-N130 PolarHBondContact O-N 3.42Å; V126-N130 PolarHBondContact O-ND2 3.46Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 2.86Å; N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.26Å; N130-L134 PolarHBondContact O-N 3.4Å |
| 131 | I | 89.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175 | -68.3 | 161.4 | 0 | 0 | 0 | 110.9 | I72 L113 V117 L118 I128 N129 L134 A135 | I72-I131 HydrophobicContact CG2-CG2 4.44Å; L113-I131 HydrophobicContact CD1-CG2 3.54Å; V117-I131 HydrophobicContact CG1-CD1 4.09Å; L118-I131 HydrophobicContact CD2-CD1 4.05Å; L118-I131 HydrophobicContact CD2-CG2 4.37Å; I128-I131 HydrophobicContact CD1-CB 4.39Å; I128-I131 HydrophobicContact CD1-CD1 3.8Å; I128-I131 WeakPolarHBondContact O-CB 3.48Å; I128-I131 PolarHBondContact O-N 3.29Å; I128-I131 VanDerWaalsContact O-N 3.07Å; N129-I131 PolarHBondContact O-N 3.07Å; I131-L134 PolarHBondContact O-N 3.31Å; I131-A135 WeakPolarHBondContact O-CB 3.08Å; I131-A135 PolarHBondContact O-N 3.36Å |
| 132 | Y | 91.7 | Very high | 83.4 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 176.3 | -58.3 | -22.1 | 0 | 0 | 0 | 111.5 | S54 V56 I72 I128 N129 L134 A135 L136 Y151 V153 | S54-Y132 WeakPolarHBondContact OG-CE1 3.44Å; S54-Y132 PolarHBondContact OG-OH 3.38Å; V56-Y132 HydrophobicContact CG2-CD1 3.62Å; V56-Y132 HydrophobicContact CG2-CD2 4.36Å; V56-Y132 HydrophobicContact CG2-CE1 4.06Å; V56-Y132 HydrophobicContact CG2-CG 3.78Å; I72-Y132 HydrophobicContact CD1-CD1 3.3Å; I72-Y132 HydrophobicContact CD1-CE1 3.54Å; I128-Y132 HydrophobicContact CD1-CE1 4.19Å; I128-Y132 HydrophobicContact CG1-CE1 3.87Å; I128-Y132 HydrophobicContact CG1-CE2 4.09Å; I128-Y132 WeakPolarHBondContact CG1-OH 3.31Å; I128-Y132 HydrophobicContact CG2-CE2 4.44Å; I128-Y132 PolarHBondContact O-N 3.42Å; I128-Y132 VanDerWaalsContact O-N 3.11Å; N129-Y132 WeakPolarHBondContact O-CB 3.4Å; N129-Y132 PolarHBondContact O-N 3.11Å; N129-Y132 VanDerWaalsContact O-N 3.11Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.25Å; Y132-A135 PolarHBondContact O-N 3.44Å; Y132-L136 WeakPolarHBondContact O-CG 3.45Å; Y132-L136 PolarHBondContact O-N 3.16Å; Y132-Y151 AromaticContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CG-CE2 4.16Å; Y132-V153 HydrophobicContact CD2-CG2 4.19Å; Y132-V153 HydrophobicContact CE2-CG2 3.65Å |
| 133 | M | 91.5 | Very high | 85.2 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 175.3 | -66.7 | -53 | -60.9 | 0 | 0 | 112.4 | N129 L136 S137 Y151 | N129-M133 WeakPolarHBondContact O-CG 3.28Å; N129-M133 PolarHBondContact O-N 3.4Å; M133-L136 PolarHBondContact O-N 2.97Å; M133-L136 HydrophobicContact SD-CD1 4.13Å; M133-S137 WeakPolarHBondContact O-CB 3.12Å; M133-S137 PolarHBondContact O-N 2.91Å; M133-S137 PolarHBondContact O-OG 2.89Å; M133-Y151 HydrophobicContact SD-CD1 4.24Å; M133-Y151 HydrophobicContact SD-CE1 3.65Å |
| 134 | L | 92.5 | Very high | 86.9 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.1 | 177.5 | 64.2 | 0 | 0 | 0 | 111.2 | L88 L90 N130 I131 Y132 L136 S137 F138 | L88-L134 HydrophobicContact CB-CD2 4.01Å; L88-L134 HydrophobicContact CD1-CD2 4.05Å; L90-L134 HydrophobicContact CD1-CD2 4.03Å; L90-L134 HydrophobicContact CD1-CG 4.07Å; N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.26Å; N130-L134 PolarHBondContact O-N 3.4Å; I131-L134 PolarHBondContact O-N 3.31Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.25Å; L134-L136 PolarHBondContact O-N 3.29Å; L134-S137 PolarHBondContact O-N 2.87Å; L134-F138 WeakPolarHBondContact O-CB 3.13Å; L134-F138 PolarHBondContact O-N 3.49Å |
| 135 | A | 94.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I70 I72 I131 Y132 A139 | I70-A135 HydrophobicContact CG2-CB 4.25Å; I72-A135 HydrophobicContact CD1-CB 4.38Å; I72-A135 HydrophobicContact CG1-CB 4.47Å; I131-A135 WeakPolarHBondContact O-CB 3.08Å; I131-A135 PolarHBondContact O-N 3.36Å; Y132-A135 PolarHBondContact O-N 3.44Å; A135-A139 PolarHBondContact O-N 3.43Å |
| 136 | L | 94.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 172.8 | -69.4 | 168.2 | 0 | 0 | 0 | 111.2 | V56 T58 I70 Y132 M133 L134 F138 A139 Q140 L147 Y151 | V56-L136 HydrophobicContact CG1-CD2 4.48Å; T58-L136 HydrophobicContact CG2-CD2 3.54Å; I70-L136 HydrophobicContact CD1-CD2 3.89Å; I70-L136 HydrophobicContact CD1-CG 4.48Å; Y132-L136 WeakPolarHBondContact O-CG 3.45Å; Y132-L136 PolarHBondContact O-N 3.16Å; M133-L136 PolarHBondContact O-N 2.97Å; M133-L136 HydrophobicContact SD-CD1 4.13Å; L134-L136 PolarHBondContact O-N 3.29Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CB 3.13Å; L136-A139 PolarHBondContact O-N 2.89Å; L136-A139 VanDerWaalsContact O-N 3.13Å; L136-Q140 WeakPolarHBondContact O-CG 3.28Å; L136-Q140 PolarHBondContact O-N 3.13Å; L136-L147 HydrophobicContact CB-CD1 4.34Å; L136-L147 HydrophobicContact CD2-CD1 3.78Å; L136-Y151 HydrophobicContact CD1-CD1 3.68Å; L136-Y151 HydrophobicContact CD1-CE1 4.3Å; L136-Y151 HydrophobicContact CD1-CG 4.07Å |
| 137 | S | 93.8 | Very high | 91.2 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 179 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | M133 L134 Q140 Q141 | M133-S137 WeakPolarHBondContact O-CB 3.12Å; M133-S137 PolarHBondContact O-N 2.91Å; M133-S137 PolarHBondContact O-OG 2.89Å; L134-S137 PolarHBondContact O-N 2.87Å; S137-Q140 PolarHBondContact O-N 2.74Å; S137-Q141 WeakPolarHBondContact O-CB 3.34Å; S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.17Å; S137-Q141 PolarHBondContact O-N 3.27Å |
| 138 | F | 94.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 172.6 | 170.1 | -95.4 | 0 | 0 | 0 | 111.1 | L90 L109 V111 L134 L136 Q140 Q141 Q142 | L90-F138 HydrophobicContact CD2-CB 4.09Å; L90-F138 HydrophobicContact CD2-CD1 3.84Å; L90-F138 HydrophobicContact CD2-CD2 3.39Å; L90-F138 HydrophobicContact CD2-CE1 4.14Å; L90-F138 HydrophobicContact CD2-CE2 3.69Å; L90-F138 HydrophobicContact CD2-CG 3.47Å; L90-F138 VanDerWaalsContact CD2-CG 3.47Å; L90-F138 HydrophobicContact CD2-CZ 4.08Å; L109-F138 HydrophobicContact CD2-CD1 4.28Å; L109-F138 HydrophobicContact CD2-CE1 4.25Å; V111-F138 HydrophobicContact CG2-CD1 4.07Å; V111-F138 HydrophobicContact CG2-CE1 4.26Å; L134-F138 WeakPolarHBondContact O-CB 3.13Å; L134-F138 PolarHBondContact O-N 3.49Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 PolarHBondContact O-N 3.46Å; F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.28Å; F138-Q141 PolarHBondContact O-N 3.27Å; F138-Q142 HydrophobicContact CD2-CG 4.14Å; F138-Q142 HydrophobicContact CE1-CB 4.33Å; F138-Q142 HydrophobicContact CE1-CG 4.46Å; F138-Q142 HydrophobicContact CE2-CB 4.11Å; F138-Q142 HydrophobicContact CE2-CG 3.46Å; F138-Q142 VanDerWaalsContact CE2-CG 3.46Å; F138-Q142 HydrophobicContact CZ-CB 3.96Å; F138-Q142 HydrophobicContact CZ-CG 3.63Å; F138-Q142 WeakPolarHBondContact O-CB 3.22Å; F138-Q142 PolarHBondContact O-N 3.35Å |
| 139 | A | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 I70 L109 A135 L136 H143 L147 | L68-A139 HydrophobicContact CD2-CB 4.11Å; I70-A139 HydrophobicContact CD1-CB 3.94Å; L109-A139 HydrophobicContact CD2-CB 3.62Å; A135-A139 PolarHBondContact O-N 3.43Å; L136-A139 WeakPolarHBondContact O-CB 3.13Å; L136-A139 PolarHBondContact O-N 2.89Å; L136-A139 VanDerWaalsContact O-N 3.13Å; A139-H143 WeakPolarHBondContact O-CB 3.37Å; A139-H143 PolarHBondContact O-N 2.8Å; A139-H143 VanDerWaalsContact O-N 3.16Å; A139-L147 HydrophobicContact CB-CD1 4.12Å |
| 140 | Q | 94.2 | Very high | 92 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.3 | -65.2 | -175.4 | 154.9 | 0 | 0 | 112 | L136 S137 F138 G144 M145 L147 | L136-Q140 WeakPolarHBondContact O-CG 3.28Å; L136-Q140 PolarHBondContact O-N 3.13Å; S137-Q140 PolarHBondContact O-N 2.74Å; F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.28Å; Q140-G144 WeakPolarHBondContact O-CA 3.41Å; Q140-G144 PolarHBondContact O-N 2.64Å; Q140-M145 VanDerWaalsContact CA-O 3.28Å; Q140-M145 WeakPolarHBondContact CA-O 3.35Å; Q140-M145 VanDerWaalsContact CB-O 3.29Å; Q140-M145 WeakPolarHBondContact CB-O 3.39Å; Q140-M145 VanDerWaalsContact CG-O 3.3Å; Q140-M145 WeakPolarHBondContact CG-O 3.38Å; Q140-M145 PolarHBondContact O-N 2.93Å; Q140-L147 HydrophobicContact CG-CB 4.16Å; Q140-L147 HydrophobicContact CG-CD1 3.8Å; Q140-L147 HydrophobicContact CG-CG 3.75Å |
| 141 | Q | 92.6 | Very high | 92.2 | Very high | 162 Ų | 162 | 58.6 Ų | 58.6 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.6 | -46.3 | -175.7 | -71.1 | 174.4 | 4.2 | 0 | 0 | 112.6 | S137 F138 | S137-Q141 WeakPolarHBondContact O-CB 3.34Å; S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.17Å; S137-Q141 PolarHBondContact O-N 3.27Å; F138-Q141 PolarHBondContact O-N 3.27Å |
| 142 | Q | 92.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 60.3 Ų | 60.3 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.9 | -32 | -176.2 | -101.7 | -62.2 | -27.3 | 0 | 0 | 113.5 | F138 | F138-Q142 HydrophobicContact CD2-CG 4.14Å; F138-Q142 HydrophobicContact CE1-CB 4.33Å; F138-Q142 HydrophobicContact CE1-CG 4.46Å; F138-Q142 HydrophobicContact CE2-CB 4.11Å; F138-Q142 HydrophobicContact CE2-CG 3.46Å; F138-Q142 VanDerWaalsContact CE2-CG 3.46Å; F138-Q142 HydrophobicContact CZ-CB 3.96Å; F138-Q142 HydrophobicContact CZ-CG 3.63Å; F138-Q142 WeakPolarHBondContact O-CB 3.22Å; F138-Q142 PolarHBondContact O-N 3.35Å |
| 143 | H | 90.8 | Very high | 92.1 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -114.6 | 9.3 | -173.9 | -58.5 | -57.5 | 0 | 0 | 0 | 113.8 | L95 L109 A139 M145 | L95-H143 HydrophobicContact CD2-CB 4.18Å; L109-H143 WeakPolarHBondContact CD1-NE2 3.26Å; A139-H143 WeakPolarHBondContact O-CB 3.37Å; A139-H143 PolarHBondContact O-N 2.8Å; A139-H143 VanDerWaalsContact O-N 3.16Å; H143-M145 VanDerWaalsContact C-N 3.34Å; H143-M145 HydrophobicContact CB-CE 3.34Å; H143-M145 PolarHBondContact O-N 2.83Å |
| 144 | G | 90.7 | Very high | 91.2 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q140 | Q140-G144 WeakPolarHBondContact O-CA 3.41Å; Q140-G144 PolarHBondContact O-N 2.64Å |
| 145 | M | 92.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | trans | -120.1 | 150.6 | -178.5 | 67.6 | 177.4 | 85.3 | 0 | 0 | 111.9 | I60 E62 L68 L95 Q140 H143 L147 | I60-M145 HydrophobicContact CD1-SD 4.35Å; I60-M145 HydrophobicContact CG1-SD 4.35Å; I60-M145 HydrophobicContact CG2-CB 4.46Å; E62-M145 WeakPolarHBondContact O-CA 3.49Å; E62-M145 WeakPolarHBondContact O-CB 3.3Å; L68-M145 HydrophobicContact CD2-SD 3.93Å; L95-M145 HydrophobicContact CD1-CE 4.07Å; L95-M145 HydrophobicContact CD2-CE 3.47Å; L95-M145 VanDerWaalsContact CD2-CE 3.47Å; L95-M145 HydrophobicContact CG-CE 4.42Å; Q140-M145 VanDerWaalsContact CA-O 3.28Å; Q140-M145 WeakPolarHBondContact CA-O 3.35Å; Q140-M145 VanDerWaalsContact CB-O 3.29Å; Q140-M145 WeakPolarHBondContact CB-O 3.39Å; Q140-M145 VanDerWaalsContact CG-O 3.3Å; Q140-M145 WeakPolarHBondContact CG-O 3.38Å; Q140-M145 PolarHBondContact O-N 2.93Å; H143-M145 VanDerWaalsContact C-N 3.34Å; H143-M145 HydrophobicContact CB-CE 3.34Å; H143-M145 PolarHBondContact O-N 2.83Å; M145-L147 HydrophobicContact CG-CD2 4.03Å; M145-L147 HydrophobicContact CG-CG 4.24Å; M145-L147 HydrophobicContact SD-CD2 3.67Å; M145-L147 HydrophobicContact SD-CG 4.36Å | ||
| 146 | S | 93.8 | Very high | 88.2 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.3 | 173.2 | -59.9 | 0 | 0 | 0 | 0 | 108.6 | L61 E62 | L61-S146 PolarHBondContact N-O 2.86Å; E62-S146 PolarHBondContact N-O 2.92Å; E62-S146 PolarHBondContact O-N 3.18Å |
| 147 | L | 94.9 | Very high | 86.7 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 154.4 | -179.7 | -59.5 | 178.3 | 0 | 0 | 0 | 111.1 | T58 Q59 I60 L68 L136 A139 Q140 M145 | T58-L147 HydrophobicContact CG2-CB 4.22Å; T58-L147 HydrophobicContact CG2-CD1 4.11Å; T58-L147 HydrophobicContact CG2-CD2 4.03Å; T58-L147 HydrophobicContact CG2-CG 4.35Å; Q59-L147 CarbonylContact O-C 3.53Å; Q59-L147 WeakPolarHBondContact O-CA 3.41Å; I60-L147 HydrophobicContact CB-CD2 4.37Å; I60-L147 HydrophobicContact CG1-CD2 3.9Å; L68-L147 HydrophobicContact CB-CD2 4.37Å; L68-L147 HydrophobicContact CD2-CD1 3.72Å; L68-L147 HydrophobicContact CD2-CD2 3.72Å; L68-L147 HydrophobicContact CD2-CG 4.39Å; L136-L147 HydrophobicContact CB-CD1 4.34Å; L136-L147 HydrophobicContact CD2-CD1 3.78Å; A139-L147 HydrophobicContact CB-CD1 4.12Å; Q140-L147 HydrophobicContact CG-CB 4.16Å; Q140-L147 HydrophobicContact CG-CD1 3.8Å; Q140-L147 HydrophobicContact CG-CG 3.75Å; M145-L147 HydrophobicContact CG-CD2 4.03Å; M145-L147 HydrophobicContact CG-CG 4.24Å; M145-L147 HydrophobicContact SD-CD2 3.67Å; M145-L147 HydrophobicContact SD-CG 4.36Å |
| 148 | S | 91.9 | Very high | 85.2 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 141.7 | 166.2 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | T58 Q59 E150 | T58-S148 PolarHBondContact OG1-O 2.75Å; Q59-S148 PolarHBondContact O-N 2.74Å; S148-E150 PolarHBondContact O-N 2.73Å; S148-E150 PolarHBondContact OG-N 2.82Å; S148-E150 VanDerWaalsContact OG-N 3.13Å |
| 149 | Q | 86.1 | Confident | 84.1 | Confident | 178 Ų | 178 | 75.7 Ų | 75.7 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | -22.4 | 171.1 | -65.2 | -176.3 | -2.6 | 0 | 0 | 111.6 | ||
| 150 | E | 89.1 | Confident | 82.8 | Confident | 159 Ų | 159 | 77.7 Ų | 77.7 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.6 | 176.1 | -62.6 | -177.6 | -178.1 | 0 | 0 | 110.7 | T58 S148 | T58-E150 PolarHBondContact OG1-O 2.83Å; S148-E150 PolarHBondContact O-N 2.73Å; S148-E150 PolarHBondContact OG-N 2.82Å; S148-E150 VanDerWaalsContact OG-N 3.13Å |
| 151 | Y | 91.6 | Very high | 81.6 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 26% | 0.259 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.3 | 174.4 | 69.8 | -92.1 | 0 | 0 | 0 | 111.3 | V56 R57 N129 Y132 M133 L136 V153 | V56-Y151 HydrophobicContact CG1-CD2 3.63Å; V56-Y151 HydrophobicContact CG1-CG 3.91Å; R57-Y151 CarbonylContact O-C 3.56Å; R57-Y151 VanDerWaalsContact O-CA 3.32Å; R57-Y151 WeakPolarHBondContact O-CA 3.44Å; N129-Y151 PolarHBondContact OD1-OH 2.83Å; Y132-Y151 AromaticContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CG-CE2 4.16Å; M133-Y151 HydrophobicContact SD-CD1 4.24Å; M133-Y151 HydrophobicContact SD-CE1 3.65Å; L136-Y151 HydrophobicContact CD1-CD1 3.68Å; L136-Y151 HydrophobicContact CD1-CE1 4.3Å; L136-Y151 HydrophobicContact CD1-CG 4.07Å; Y151-V153 HydrophobicContact CE2-CG2 4.4Å |
| 152 | S | 89.4 | Confident | 80.5 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 26% | 0.259 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.9 | 175.4 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | R57 | R57-S152 PolarHBondContact N-O 3.05Å; R57-S152 PolarHBondContact NE-OG 3.2Å; R57-S152 PolarHBondContact NH2-OG 2.89Å; R57-S152 PolarHBondContact O-N 2.88Å; R57-S152 PolarHBondContact O-OG 3.23Å |
| 153 | V | 88.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.3 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | C55 Y132 Y151 | C55-V153 CarbonylContact O-C 3.59Å; C55-V153 WeakPolarHBondContact O-CA 3.35Å; Y132-V153 HydrophobicContact CD2-CG2 4.19Å; Y132-V153 HydrophobicContact CE2-CG2 3.65Å; Y151-V153 HydrophobicContact CE2-CG2 4.4Å |
| 154 | V | 73.4 | Confident | 79.1 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | trans | -104.9 | -28.6 | -157.8 | -170.6 | 0 | 0 | 0 | 0 | 115.9 | C55 R57 | C55-V154 PolarHBondContact O-N 3.46Å; R57-V154 HydrophobicContact CB-CB 4.46Å; R57-V154 HydrophobicContact CB-CG2 3.24Å; R57-V154 HydrophobicContact CG-CG2 4.21Å | ||
| 155 | S | 62 | Low | 78.7 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | trans | -177.5 | 177.3 | 168.2 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | S157 | S155-S157 VanDerWaalsContact C-N 3.34Å; S155-S157 PolarHBondContact OG-N 2.77Å; S155-S157 PolarHBondContact OG-O 2.93Å; S155-S157 PolarHBondContact OG-OG 3.17Å | ||
| 156 | R | 61.8 | Low | 78.3 | Confident | 224 Ų | 224 | 70.4 Ų | 70.4 | 85% | 0.845 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92.1 | 13.4 | 167.4 | -60.6 | -174.9 | -169.9 | -114.6 | 4 | 113.1 | L52 | L52-R156 WeakPolarHBondContact CD2-O 3.43Š|
| 157 | S | 62.3 | Low | 77.8 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -110.3 | 139.9 | 173.2 | 50.5 | 0 | 0 | 0 | 0 | 109 | S155 | S155-S157 VanDerWaalsContact C-N 3.34Å; S155-S157 PolarHBondContact OG-N 2.77Å; S155-S157 PolarHBondContact OG-O 2.93Å; S155-S157 PolarHBondContact OG-OG 3.17Å |
| 158 | P | 63.3 | Low | 77.4 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | trans | -67 | 143.2 | -177.6 | 25.1 | -27.9 | 0 | 0 | 0 | 108.6 | L52 G160 P162 L165 | L52-P158 HydrophobicContact CD1-CB 4.49Å; L52-P158 HydrophobicContact CD2-CB 3.86Å; L52-P158 VanDerWaalsContact CD2-CD 3.44Å; L52-P158 HydrophobicContact CD2-CG 4.14Å; P158-G160 PolarHBondContact O-N 2.96Å; P158-P162 HydrophobicContact CG-CB 4.49Å; P158-P162 HydrophobicContact CG-CG 3.95Å; P158-L165 HydrophobicContact CB-CD1 3.96Å | ||
| 159 | K | 69.6 | Low | 77.3 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 27% | 0.274 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -74.7 | 111.1 | 163.6 | -172.2 | 65.1 | 173.1 | 171.7 | 0 | 107 | Y69 N71 F106 V108 | Y69-K159 HydrophobicContact CD1-CB 3.93Å; Y69-K159 HydrophobicContact CD1-CD 4.43Å; Y69-K159 HydrophobicContact CD1-CG 3.91Å; Y69-K159 HydrophobicContact CD2-CG 3.94Å; Y69-K159 HydrophobicContact CE1-CD 4.33Å; Y69-K159 HydrophobicContact CE1-CG 4.28Å; Y69-K159 HydrophobicContact CE2-CG 4.33Å; Y69-K159 HydrophobicContact CG-CB 3.93Å; Y69-K159 HydrophobicContact CG-CG 3.72Å; N71-K159 PolarHBondContact ND2-O 3.24Å; N71-K159 PolarHBondContact OD1-N 3.16Å; F106-K159 HydrophobicContact CE2-CG 4.39Å; V108-K159 WeakPolarHBondContact CG1-O 3.41Å; V108-K159 HydrophobicContact CG2-CG 4.15Å |
| 160 | G | 66.9 | Low | 77.1 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 112 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P158 | P158-G160 PolarHBondContact O-N 2.96Š|
| 161 | N | 70.6 | Confident | 76.8 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | trans | -74.6 | 138.7 | 173.3 | -177.6 | -25.1 | 0 | 0 | 0 | 109.5 | D163 D164 L165 | N161-D163 PolarHBondContact O-N 3.32Å; N161-D163 VanDerWaalsContact O-N 3.16Å; N161-D163 PolarHBondContact OD1-N 3.5Å; N161-D164 VanDerWaalsContact CB-OD2 3.25Å; N161-D164 WeakPolarHBondContact CB-OD2 3.33Å; N161-D164 PolarHBondContact N-OD2 2.94Å; N161-D164 VanDerWaalsContact N-OD2 3.13Å; N161-D164 WeakPolarHBondContact O-CB 3.36Å; N161-D164 PolarHBondContact O-N 2.87Å; N161-L165 PolarHBondContact O-N 3.19Å | ||
| 162 | P | 68.6 | Low | 75.6 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -50.3 | -30.4 | 171 | -28 | 32.6 | 0 | 0 | 0 | 115.3 | P158 L165 Q166 | P158-P162 HydrophobicContact CG-CB 4.49Å; P158-P162 HydrophobicContact CG-CG 3.95Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; P162-Q166 PolarHBondContact O-N 3.05Å |
| 163 | D | 73.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 66 Ų | 66 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 175.7 | -67.9 | -32.6 | 0 | 0 | 0 | 111.4 | N161 L165 Q166 C167 | N161-D163 PolarHBondContact O-N 3.32Å; N161-D163 VanDerWaalsContact O-N 3.16Å; N161-D163 PolarHBondContact OD1-N 3.5Å; D163-L165 VanDerWaalsContact C-N 3.25Å; D163-L165 PolarHBondContact O-N 3.11Å; D163-Q166 PolarHBondContact O-N 3.48Å; D163-C167 PolarHBondContact O-N 3.42Å; D163-C167 VanDerWaalsContact O-N 3.08Å; D163-C167 PolarHBondContact O-SG 2.99Å |
| 164 | D | 79.6 | Confident | 72.2 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 176.7 | -51.2 | -25.8 | 0 | 0 | 0 | 111.2 | N161 Q166 C167 R168 | N161-D164 VanDerWaalsContact CB-OD2 3.25Å; N161-D164 WeakPolarHBondContact CB-OD2 3.33Å; N161-D164 PolarHBondContact N-OD2 2.94Å; N161-D164 VanDerWaalsContact N-OD2 3.13Å; N161-D164 WeakPolarHBondContact O-CB 3.36Å; N161-D164 PolarHBondContact O-N 2.87Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 2.69Å; D164-C167 PolarHBondContact O-N 2.88Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 WeakPolarHBondContact O-CG 3.26Å; D164-R168 PolarHBondContact O-N 3.08Å |
| 165 | L | 82.1 | Confident | 70.6 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.9 | 176.4 | 158 | 0 | 0 | 0 | 111.8 | P50 L52 N71 D110 P158 N161 P162 D163 L169 | P50-L165 HydrophobicContact CB-CD2 4.12Å; P50-L165 HydrophobicContact CG-CD2 3.77Å; L52-L165 HydrophobicContact CB-CD1 4.44Å; L52-L165 HydrophobicContact CD1-CD1 4.07Å; N71-L165 HydrophobicContact CB-CD1 4.15Å; D110-L165 HydrophobicContact CB-CG 4.43Å; D110-L165 VanDerWaalsContact OD2-CA 3.28Å; D110-L165 WeakPolarHBondContact OD2-CA 3.41Å; P158-L165 HydrophobicContact CB-CD1 3.96Å; N161-L165 PolarHBondContact O-N 3.19Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; D163-L165 VanDerWaalsContact C-N 3.25Å; D163-L165 PolarHBondContact O-N 3.11Å; L165-L169 HydrophobicContact CD2-CD1 4.07Å; L165-L169 PolarHBondContact O-N 2.92Å |
| 166 | Q | 85.2 | Confident | 69.6 | Low | 31 Ų | 31 | 73.9 Ų | 73.9 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 176.8 | -70.4 | 174 | 48.2 | 0 | 0 | 110.3 | P49 P50 P162 D163 D164 R168 L169 G170 F171 | P49-Q166 HydrophobicContact CB-CG 4.18Å; P50-Q166 HydrophobicContact CG-CG 4.06Å; P162-Q166 PolarHBondContact O-N 3.05Å; D163-Q166 PolarHBondContact O-N 3.48Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 2.69Å; Q166-R168 PolarHBondContact O-N 3.34Å; Q166-L169 PolarHBondContact O-N 3.38Å; Q166-G170 PolarHBondContact O-N 2.96Å; Q166-F171 HydrophobicContact CB-CB 3.99Å; Q166-F171 HydrophobicContact CB-CD1 3.86Å; Q166-F171 HydrophobicContact CB-CG 4.3Å; Q166-F171 HydrophobicContact CG-CD1 4.13Å; Q166-F171 WeakPolarHBondContact O-CA 3.37Å; Q166-F171 VanDerWaalsContact O-CB 3.26Å; Q166-F171 WeakPolarHBondContact O-CB 3.37Å; Q166-F171 PolarHBondContact O-N 3.49Å |
| 167 | C | 82.8 | Confident | 68.6 | Low | 91 Ų | 91 | 66.1 Ų | 66.1 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.8 | -45.1 | 178.8 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | D163 D164 L169 G170 | D163-C167 PolarHBondContact O-N 3.42Å; D163-C167 VanDerWaalsContact O-N 3.08Å; D163-C167 PolarHBondContact O-SG 2.99Å; D164-C167 PolarHBondContact O-N 2.88Å; C167-L169 VanDerWaalsContact C-N 3.31Å; C167-L169 PolarHBondContact O-N 3.3Å; C167-G170 PolarHBondContact O-N 3.4Å |
| 168 | R | 88.1 | Confident | 67.6 | Low | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.7 | -32.7 | -179.2 | -75.3 | -173.3 | -57.5 | -95.9 | -11.4 | 112.7 | G93 K94 E96 D110 D164 Q166 G170 | G93-R168 CarbonylContact C-O 3.48Å; G93-R168 WeakPolarHBondContact CA-O 2.93Å; K94-R168 PolarHBondContact N-O 2.81Å; K94-R168 WeakPolarHBondContact O-CD 3.28Å; E96-R168 WeakPolarHBondContact OE2-CD 3.19Å; E96-R168 IonicContact OE2-CZ 3.9Å; E96-R168 IonicContact OE2-NE 2.83Å; E96-R168 IonicContact OE2-NH1 3.7Å; E96-R168 PolarHBondContact OE2-NH1 3.13Å; D110-R168 IonicContact OD1-CZ 3.99Å; D110-R168 IonicContact OD1-NE 3.71Å; D110-R168 IonicContact OD1-NH2 3.76Å; D110-R168 PolarHBondContact OD1-NH2 2.67Å; D110-R168 VanDerWaalsContact OD2-CB 3.26Å; D110-R168 WeakPolarHBondContact OD2-CB 3.38Å; D110-R168 IonicContact OD2-CZ 3.29Å; D110-R168 IonicContact OD2-NE 2.74Å; D110-R168 PolarHBondContact OD2-NE 2.97Å; D110-R168 IonicContact OD2-NH2 3.18Å; D110-R168 PolarHBondContact OD2-NH2 3.3Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 WeakPolarHBondContact O-CG 3.26Å; D164-R168 PolarHBondContact O-N 3.08Å; Q166-R168 PolarHBondContact O-N 3.34Å; R168-G170 PolarHBondContact O-N 3.5Å |
| 169 | L | 88.6 | Confident | 66.4 | Low | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5.8 | 172.7 | -72.1 | 171.6 | 0 | 0 | 0 | 113.7 | P50 C73 W75 D110 A112 L165 Q166 C167 F171 | P50-L169 HydrophobicContact CB-CD1 3.62Å; P50-L169 HydrophobicContact CG-CD1 3.67Å; C73-L169 HydrophobicContact CB-CD1 4.19Å; W75-L169 WeakPolarHBondContact CH2-O 3.41Å; W75-L169 HydrophobicContact CZ3-CB 4.07Å; W75-L169 WeakPolarHBondContact CZ3-O 3.31Å; D110-L169 HydrophobicContact CB-CD1 4.12Å; D110-L169 HydrophobicContact CB-CD2 4.02Å; D110-L169 HydrophobicContact CB-CG 3.79Å; A112-L169 HydrophobicContact CB-CD1 4.01Å; A112-L169 HydrophobicContact CB-CD2 3.98Å; L165-L169 HydrophobicContact CD2-CD1 4.07Å; L165-L169 PolarHBondContact O-N 2.92Å; Q166-L169 PolarHBondContact O-N 3.38Å; C167-L169 VanDerWaalsContact C-N 3.31Å; C167-L169 PolarHBondContact O-N 3.3Å; L169-F171 PolarHBondContact O-N 3.27Å |
| 170 | G | 83.1 | Confident | 64.9 | Low | 44 Ų | 44 | 77 Ų | 77 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 16.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q166 C167 R168 Q172 | Q166-G170 PolarHBondContact O-N 2.96Å; C167-G170 PolarHBondContact O-N 3.4Å; R168-G170 PolarHBondContact O-N 3.5Å; G170-Q172 PolarHBondContact O-N 3.03Å |
| 171 | F | 81.1 | Confident | 63.6 | Low | 18 Ų | 18 | 80.9 Ų | 80.9 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | trans | -74.5 | 98.8 | 169.5 | -175.7 | -92.4 | 0 | 0 | 0 | 108.7 | N47 P49 P50 W75 Q166 L169 K173 | N47-F171 VanDerWaalsContact O-CE2 3.32Å; N47-F171 WeakPolarHBondContact O-CE2 3.41Å; P49-F171 HydrophobicContact CB-CD1 4.31Å; P49-F171 HydrophobicContact CB-CE1 3.9Å; P49-F171 HydrophobicContact CB-CE2 4.26Å; P49-F171 HydrophobicContact CB-CZ 3.87Å; P50-F171 HydrophobicContact CG-CB 4.49Å; W75-F171 HydrophobicContact CH2-CB 4.43Å; W75-F171 HydrophobicContact CZ2-CB 4.22Å; W75-F171 AromaticContact CZ2-CD2 3.87Å; W75-F171 HydrophobicContact CZ2-CD2 3.87Å; Q166-F171 HydrophobicContact CB-CB 3.99Å; Q166-F171 HydrophobicContact CB-CD1 3.86Å; Q166-F171 HydrophobicContact CB-CG 4.3Å; Q166-F171 HydrophobicContact CG-CD1 4.13Å; Q166-F171 WeakPolarHBondContact O-CA 3.37Å; Q166-F171 VanDerWaalsContact O-CB 3.26Å; Q166-F171 WeakPolarHBondContact O-CB 3.37Å; Q166-F171 PolarHBondContact O-N 3.49Å; L169-F171 PolarHBondContact O-N 3.27Å; F171-K173 HydrophobicContact CD1-CB 4.42Å; F171-K173 HydrophobicContact CE1-CB 3.89Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 3.33Å | ||
| 172 | Q | 67.2 | Low | 62.1 | Low | 110 Ų | 110 | 85.8 Ų | 85.8 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | trans | -82 | 110.1 | 164.1 | -64.6 | 176.4 | 44.7 | 0 | 0 | 107.3 | G170 L174 E204 | G170-Q172 PolarHBondContact O-N 3.03Å; Q172-L174 PolarHBondContact O-N 3.25Å; Q172-E204 PolarHBondContact NE2-OE1 3.36Å | ||
| 173 | K | 59.3 | Low | 60.6 | Low | 137 Ų | 137 | 87.4 Ų | 87.4 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | trans | -63.3 | 98.9 | 159.5 | -164.8 | 173.7 | -173.4 | 175.5 | 0 | 104.6 | F171 P175 | F171-K173 HydrophobicContact CD1-CB 4.42Å; F171-K173 HydrophobicContact CE1-CB 3.89Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 3.33Å; K173-P175 VanDerWaalsContact O-N 3.1Å | ||
| 174 | L | 48 | Very low | 59.2 | Low | 130 Ų | 130 | 85.3 Ų | 85.3 | 68% | 0.681 | 45% | 0.453 | S | S | * | . | trans | -44.5 | 128.4 | 163.6 | -136.2 | 83.7 | 0 | 0 | 0 | 104.3 | Q172 I176 | Q172-L174 PolarHBondContact O-N 3.25Å; L174-I176 WeakPolarHBondContact O-CG1 3.39Å; L174-I176 PolarHBondContact O-N 2.85Å | ||
| 175 | P | 40 | Very low | 57.5 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | trans | -55.3 | 101.9 | 178.3 | -8.2 | 15.1 | 0 | 0 | 0 | 104.4 | K173 I177 | K173-P175 VanDerWaalsContact O-N 3.1Å; P175-I177 VanDerWaalsContact C-N 3.32Å; P175-I177 WeakPolarHBondContact O-CG1 3.37Å; P175-I177 PolarHBondContact O-N 3.39Å | ||
| 176 | I | 40.5 | Very low | 55.6 | Low | 115 Ų | 115 | 92.8 Ų | 92.8 | 59% | 0.59 | 51% | 0.511 | S | S | * | . | trans | -64.7 | 117.1 | 178.1 | -53.4 | 179.3 | 0 | 0 | 0 | 99.9 | L174 S178 | L174-I176 WeakPolarHBondContact O-CG1 3.39Å; L174-I176 PolarHBondContact O-N 2.85Å; I176-S178 WeakPolarHBondContact CB-OG 3.39Å; I176-S178 WeakPolarHBondContact CG2-OG 3.49Å; I176-S178 PolarHBondContact O-N 3.47Å | ||
| 177 | I | 40.8 | Very low | 53.8 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 31% | 0.308 | 54% | 0.539 | S | S | . | . | trans | -68.5 | 39.9 | 176.7 | -52.1 | 169.4 | 0 | 0 | 0 | 107.6 | P175 K179 Q180 L181 I184 | P175-I177 VanDerWaalsContact C-N 3.32Å; P175-I177 WeakPolarHBondContact O-CG1 3.37Å; P175-I177 PolarHBondContact O-N 3.39Å; I177-K179 PolarHBondContact O-N 3.3Å; I177-Q180 HydrophobicContact CG2-CB 3.42Å; I177-Q180 VanDerWaalsContact CG2-CB 3.42Å; I177-Q180 HydrophobicContact CG2-CG 3.89Å; I177-Q180 PolarHBondContact O-N 3.48Å; I177-Q180 VanDerWaalsContact O-N 3.09Å; I177-L181 PolarHBondContact O-N 3.47Å; I177-I184 HydrophobicContact CB-CD1 4.48Å; I177-I184 HydrophobicContact CG2-CD1 3.41Å; I177-I184 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 178 | S | 41.3 | Very low | 52.5 | Low | 82 Ų | 82 | 95.8 Ų | 95.8 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.6 | -178.1 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | I176 | I176-S178 WeakPolarHBondContact CB-OG 3.39Å; I176-S178 WeakPolarHBondContact CG2-OG 3.49Å; I176-S178 PolarHBondContact O-N 3.47Å |
| 179 | K | 37.7 | Very low | 51.8 | Low | 203 Ų | 203 | 98.8 Ų | 98.8 | 88% | 0.883 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -12.5 | 175.5 | -74.9 | -172.6 | 176.7 | -179 | 0 | 114.9 | I177 | I177-K179 PolarHBondContact O-N 3.3Š|
| 180 | Q | 38.2 | Very low | 51 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.4 | -2.5 | 172.2 | -43 | 177.5 | -75.8 | 0 | 0 | 113.9 | I177 E182 T183 I184 | I177-Q180 HydrophobicContact CG2-CB 3.42Å; I177-Q180 VanDerWaalsContact CG2-CB 3.42Å; I177-Q180 HydrophobicContact CG2-CG 3.89Å; I177-Q180 PolarHBondContact O-N 3.48Å; I177-Q180 VanDerWaalsContact O-N 3.09Å; Q180-E182 PolarHBondContact O-N 3.16Å; Q180-T183 CarbonylContact O-C 3.6Å; Q180-T183 PolarHBondContact O-N 3.25Å; Q180-I184 HydrophobicContact CB-CD1 3.77Å; Q180-I184 HydrophobicContact CB-CG1 4.11Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.36Å |
| 181 | L | 39 | Very low | 50.4 | Low | 124 Ų | 124 | 104 Ų | 104 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.9 | -25.8 | 177.2 | -163.4 | 66.1 | 0 | 0 | 0 | 112.1 | I177 T183 | I177-L181 PolarHBondContact O-N 3.47Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.94Å |
| 182 | E | 39.5 | Very low | 50 | Low | 181 Ų | 181 | 104.8 Ų | 104.8 | 85% | 0.846 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.4 | -14.3 | 171.7 | -65.8 | -174.2 | 174.6 | 0 | 0 | 113.6 | Q180 | Q180-E182 PolarHBondContact O-N 3.16Å |
| 183 | T | 36.3 | Very low | 50.3 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -110.5 | -18.4 | 179.8 | -30.2 | 0 | 0 | 0 | 0 | 113.4 | Q180 L181 T185 | Q180-T183 CarbonylContact O-C 3.6Å; Q180-T183 PolarHBondContact O-N 3.25Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.94Å; T183-T185 PolarHBondContact O-N 3.44Å |
| 184 | I | 44.9 | Very low | 50.7 | Low | 47 Ų | 47 | 102.1 Ų | 102.1 | 24% | 0.241 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -78.1 | -17.5 | -174 | -75 | 166 | 0 | 0 | 0 | 113.2 | I177 Q180 A186 Q188 | I177-I184 HydrophobicContact CB-CD1 4.48Å; I177-I184 HydrophobicContact CG2-CD1 3.41Å; I177-I184 VanDerWaalsContact CG2-CD1 3.41Å; Q180-I184 HydrophobicContact CB-CD1 3.77Å; Q180-I184 HydrophobicContact CB-CG1 4.11Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.36Å; I184-A186 PolarHBondContact O-N 3.14Å; I184-Q188 HydrophobicContact CG2-CG 4.19Å |
| 185 | T | 43.6 | Very low | 51.9 | Low | 130 Ų | 130 | 105.6 Ų | 105.6 | 80% | 0.798 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -1.4 | -177.1 | 15.1 | 0 | 0 | 0 | 0 | 115.3 | T183 | T183-T185 PolarHBondContact O-N 3.44Š|
| 186 | A | 43.2 | Very low | 53.3 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 78% | 0.777 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | -8.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | I184 | I184-A186 PolarHBondContact O-N 3.14Š|
| 187 | S | 47.4 | Very low | 54.6 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 74% | 0.741 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.2 | 11.1 | -175.7 | 87.7 | 0 | 0 | 0 | 0 | 120.9 | T189 | S187-T189 PolarHBondContact O-N 3.24Š|
| 188 | Q | 55.6 | Low | 55.7 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | trans | -79.2 | 118.4 | 177 | -71 | -85.2 | -17.3 | 0 | 0 | 110.7 | I184 L193 | I184-Q188 HydrophobicContact CG2-CG 4.19Å; Q188-L193 HydrophobicContact CB-CD1 4.46Å; Q188-L193 HydrophobicContact CB-CD2 4.33Å; Q188-L193 HydrophobicContact CB-CG 4.19Å | ||
| 189 | T | 73.3 | Confident | 56.4 | Low | 85 Ų | 85 | 103.7 Ų | 103.7 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | trans | -74.9 | 149.9 | 169.6 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | S187 A191 A192 L193 | S187-T189 PolarHBondContact O-N 3.24Å; T189-A191 PolarHBondContact O-N 2.99Å; T189-A191 VanDerWaalsContact O-N 3.08Å; T189-A192 WeakPolarHBondContact O-CB 3.39Å; T189-A192 PolarHBondContact O-N 2.93Å; T189-L193 PolarHBondContact O-N 2.76Å | ||
| 190 | P | 70.3 | Confident | 57 | Low | 102 Ų | 102 | 97.6 Ų | 97.6 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -52.7 | -33.5 | 178.3 | -28.3 | 35.1 | 0 | 0 | 0 | 113.8 | L193 L194 | P190-L193 PolarHBondContact O-N 2.89Å; P190-L194 WeakPolarHBondContact O-CG 3.39Å; P190-L194 PolarHBondContact O-N 3.23Å |
| 191 | A | 70.9 | Confident | 57.4 | Low | 62 Ų | 62 | 99.4 Ų | 99.4 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.2 | -35.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T189 R195 | T189-A191 PolarHBondContact O-N 2.99Å; T189-A191 VanDerWaalsContact O-N 3.08Å; A191-R195 WeakPolarHBondContact O-CG 3.25Å; A191-R195 PolarHBondContact O-N 3.03Å |
| 192 | A | 73.3 | Confident | 57.3 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 29% | 0.289 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T189 R195 Q196 | T189-A192 WeakPolarHBondContact O-CB 3.39Å; T189-A192 PolarHBondContact O-N 2.93Å; A192-R195 PolarHBondContact O-N 2.64Å; A192-Q196 PolarHBondContact O-N 2.86Å; A192-Q196 VanDerWaalsContact O-N 3.08Å |
| 193 | L | 73.4 | Confident | 57.1 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 174.3 | -69 | 170.7 | 0 | 0 | 0 | 111.8 | Q188 T189 P190 R195 Q196 I197 | Q188-L193 HydrophobicContact CB-CD1 4.46Å; Q188-L193 HydrophobicContact CB-CD2 4.33Å; Q188-L193 HydrophobicContact CB-CG 4.19Å; T189-L193 PolarHBondContact O-N 2.76Å; P190-L193 PolarHBondContact O-N 2.89Å; L193-R195 PolarHBondContact O-N 2.95Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 2.75Å; L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.39Å |
| 194 | L | 68 | Low | 57.2 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.4 | -43.3 | 176.8 | -73.6 | 174.1 | 0 | 0 | 0 | 112 | P190 Q196 I197 S198 | P190-L194 WeakPolarHBondContact O-CG 3.39Å; P190-L194 PolarHBondContact O-N 3.23Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 2.79Å; L194-I197 PolarHBondContact O-N 3.18Å; L194-S198 PolarHBondContact O-N 3.19Å; L194-S198 PolarHBondContact O-OG 3.3Å; L194-S198 VanDerWaalsContact O-OG 3.05Å |
| 195 | R | 72.8 | Confident | 56.7 | Low | 204 Ų | 204 | 108.5 Ų | 108.5 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.1 | -37.9 | 175 | -75.3 | 179.8 | 78.8 | 163 | 4.5 | 112.1 | A191 A192 L193 S199 | A191-R195 WeakPolarHBondContact O-CG 3.25Å; A191-R195 PolarHBondContact O-N 3.03Å; A192-R195 PolarHBondContact O-N 2.64Å; L193-R195 PolarHBondContact O-N 2.95Å; R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.17Å; R195-S199 PolarHBondContact O-OG 3.05Å |
| 196 | Q | 69.8 | Low | 56.2 | Low | 79 Ų | 79 | 109.8 Ų | 109.8 | 37% | 0.369 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.2 | -45.7 | 176.9 | -168.5 | 176.7 | -35.6 | 0 | 0 | 111.3 | A192 L193 L194 S198 S199 S200 | A192-Q196 PolarHBondContact O-N 2.86Å; A192-Q196 VanDerWaalsContact O-N 3.08Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 2.75Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 2.79Å; Q196-S198 PolarHBondContact O-N 3.2Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.17Å; Q196-S199 PolarHBondContact O-OG 3.45Å; Q196-S200 PolarHBondContact O-N 2.9Å; Q196-S200 PolarHBondContact O-OG 3.05Å |
| 197 | I | 68.3 | Low | 55.8 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.4 | -45.7 | 176.2 | -64.5 | 164.5 | 0 | 0 | 0 | 110.7 | L193 L194 S199 S200 | L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.39Å; L194-I197 PolarHBondContact O-N 3.18Å; I197-S199 PolarHBondContact O-N 3.46Å; I197-S200 PolarHBondContact O-N 3.41Å |
| 198 | S | 62.5 | Low | 55.1 | Low | 71 Ų | 71 | 109.1 Ų | 109.1 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.7 | -28.6 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | L194 Q196 | L194-S198 PolarHBondContact O-N 3.19Å; L194-S198 PolarHBondContact O-OG 3.3Å; L194-S198 VanDerWaalsContact O-OG 3.05Å; Q196-S198 PolarHBondContact O-N 3.2Å |
| 199 | S | 57.4 | Low | 54.1 | Low | 77 Ų | 77 | 109.9 Ų | 109.9 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.1 | -27.2 | 176.8 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | R195 Q196 I197 | R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.17Å; R195-S199 PolarHBondContact O-OG 3.05Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.17Å; Q196-S199 PolarHBondContact O-OG 3.45Å; I197-S199 PolarHBondContact O-N 3.46Å |
| 200 | S | 49.6 | Very low | 52.2 | Low | 76 Ų | 76 | 114.3 Ų | 114.3 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -78.3 | -15.6 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | Q196 I197 | Q196-S200 PolarHBondContact O-N 2.9Å; Q196-S200 PolarHBondContact O-OG 3.05Å; I197-S200 PolarHBondContact O-N 3.41Å |
| 201 | Q | 46.3 | Very low | 50.5 | Low | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 1.1 | -177.1 | -73.3 | -177 | -21.2 | 0 | 0 | 115 | S203 | Q201-S203 PolarHBondContact O-N 2.86Š|
| 202 | R | 36.1 | Very low | 48.5 | Very low | 232 Ų | 232 | 119 Ų | 119 | 88% | 0.875 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 11.1 | -170.7 | -76.3 | -170.6 | 176.7 | -169.1 | -2.1 | 116.2 | ||
| 203 | S | 35.2 | Very low | 46.3 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 22.9 | -176.8 | -172.1 | 0 | 0 | 0 | 0 | 114.6 | Q201 | Q201-S203 PolarHBondContact O-N 2.86Š|
| 204 | E | 39.4 | Very low | 44.3 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 54% | 0.542 | 66% | 0.664 | S | S | . | * | trans | -116.6 | 90.3 | 179.6 | -62.6 | -167.7 | 165.4 | 0 | 0 | 110.5 | Q172 D206 | Q172-E204 PolarHBondContact NE2-OE1 3.36Å; E204-D206 PolarHBondContact O-N 3.26Å | ||
| 205 | E | 34 | Very low | 42.5 | Very low | 196 Ų | 196 | 127.1 Ų | 127.1 | 92% | 0.916 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -71.2 | 114.8 | 150.6 | -78.4 | -178 | 164 | 0 | 0 | 107.8 | ||
| 206 | D | 33.1 | Very low | 40.6 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 64 | 61.1 | 156.9 | -146.8 | 21.7 | 0 | 0 | 0 | 119.3 | E204 | E204-D206 PolarHBondContact O-N 3.26Š|
| 207 | S | 35.8 | Very low | 38.9 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | trans | -139.3 | 93.1 | 155.9 | -80.2 | 0 | 0 | 0 | 0 | 110.7 | A209 | S207-A209 PolarHBondContact O-N 2.97Š| ||
| 208 | A | 32 | Very low | 37.3 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | trans | -53.8 | 109.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q210 | A208-Q210 PolarHBondContact O-N 3.44Š| ||
| 209 | A | 34.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -60.1 | 102.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S207 I211 | S207-A209 PolarHBondContact O-N 2.97Å; A209-I211 PolarHBondContact O-N 3.42Å; A209-I211 VanDerWaalsContact O-N 3.13Å | ||
| 210 | Q | 33.8 | Very low | 35.2 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -71.8 | 107.7 | 174.1 | -69.5 | -175.7 | 20.8 | 0 | 0 | 108.8 | A208 I212 | A208-Q210 PolarHBondContact O-N 3.44Å; Q210-I212 PolarHBondContact O-N 3.01Å | ||
| 211 | I | 33.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -66.3 | 115.3 | 167.4 | -58.1 | 177 | 0 | 0 | 0 | 106.7 | V14 A209 C213 | V14-I211 HydrophobicContact CG2-CD1 4.36Å; A209-I211 PolarHBondContact O-N 3.42Å; A209-I211 VanDerWaalsContact O-N 3.13Å; I211-C213 PolarHBondContact O-N 3.19Å | ||
| 212 | I | 29.4 | Very low | 34.2 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 93.1 | 177.6 | -57.4 | 174.2 | 0 | 0 | 0 | 108.4 | Q210 | Q210-I212 PolarHBondContact O-N 3.01Š| ||
| 213 | C | 26.6 | Very low | 34.2 | Very low | 58 Ų | 58 | 139.2 Ų | 139.2 | 39% | 0.392 | 77% | 0.767 | S | S | . | * | trans | -99.7 | 109.4 | 163.6 | -69.3 | 0 | 0 | 0 | 0 | 108.1 | Q13 I211 | Q13-C213 PolarHBondContact OE1-SG 3.01Å; I211-C213 PolarHBondContact O-N 3.19Å | ||
| 214 | R | 32 | Very low | 34.2 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -86.7 | 134.8 | 157.9 | -87 | -174.6 | 171 | 169.2 | -3 | 108 | ||||
| 215 | P | 30.2 | Very low | 34 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -129.5 | 157.3 | 103.1 | 8.9 | 12.6 | 0 | 0 | 0 | 113.2 | |||||
| 216 | A | 34.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -80.1 | 143.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 217 | E | 32.8 | Very low | 34.3 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | 150.1 | 99.6 | 138.3 | -83.6 | -178.3 | -174 | 0 | 0 | 109.4 | ||||
| 218 | Q | 34.2 | Very low | 34.4 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -110.9 | 108.6 | 170.2 | -82.1 | -177.4 | -10.1 | 0 | 0 | 109.3 | ||||
| 219 | T | 33.2 | Very low | 34.6 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 137.4 | 158 | 31 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 220 | K | 43.1 | Very low | 35.1 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -63.2 | 133.3 | -177.6 | -63.3 | 173.9 | 175.7 | 177.1 | 0 | 111.8 | ||||
| 221 | A | 33.7 | Very low | 35.4 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | trans | -160.7 | 136.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L223 | A221-L223 PolarHBondContact O-N 3.42Å; A221-L223 VanDerWaalsContact O-N 3.12Å | ||
| 222 | N | 40.9 | Very low | 36.1 | Very low | 173 Ų | 173 | 145 Ų | 145 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -48.8 | 114.5 | 174.5 | -58.9 | -60.8 | 0 | 0 | 0 | 110.7 | ||||
| 223 | L | 37.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -132.1 | 20.7 | -172.9 | -95.4 | 159.8 | 0 | 0 | 0 | 113.5 | A221 Q225 | A221-L223 PolarHBondContact O-N 3.42Å; A221-L223 VanDerWaalsContact O-N 3.12Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.03Å | ||
| 224 | I | 35.4 | Very low | 39.6 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -92.7 | 79.5 | 162.7 | -51.7 | 178.4 | 0 | 0 | 0 | 107.3 | ||||
| 225 | Q | 34.2 | Very low | 42 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -88 | 117.7 | 148.2 | -165.5 | 168.3 | 8.2 | 0 | 0 | 105.2 | L223 I227 | L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.03Å; Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 WeakPolarHBondContact O-CG1 3.33Å; Q225-I227 PolarHBondContact O-N 3.21Å | ||
| 226 | V | 36.7 | Very low | 44.6 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -55.7 | 97.2 | 172.9 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | S228 | V226-S228 PolarHBondContact O-N 3.41Š| ||
| 227 | I | 36.9 | Very low | 47.2 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | -80.4 | 103.7 | 162.7 | -27.5 | -180 | 0 | 0 | 0 | 103.2 | Q225 S229 | Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 WeakPolarHBondContact O-CG1 3.33Å; Q225-I227 PolarHBondContact O-N 3.21Å; I227-S229 PolarHBondContact O-N 3.06Å | ||
| 228 | S | 37.5 | Very low | 49.9 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -61.1 | 72.5 | 156.8 | -49.3 | 0 | 0 | 0 | 0 | 106.9 | V226 T230 | V226-S228 PolarHBondContact O-N 3.41Å; S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | S | 36.1 | Very low | 52.6 | Low | 84 Ų | 84 | 123.5 Ų | 123.5 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | trans | -73.3 | 104 | 173.2 | -168.1 | 0 | 0 | 0 | 0 | 105.1 | I227 F231 | I227-S229 PolarHBondContact O-N 3.06Å; S229-F231 PolarHBondContact O-N 3.4Å | ||
| 230 | T | 45.2 | Very low | 55.3 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | trans | -58.3 | 79.3 | 160.5 | 31.8 | 0 | 0 | 0 | 0 | 107.9 | S228 Q232 | S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 VanDerWaalsContact O-N 3.09Å; T230-Q232 PolarHBondContact O-N 3.46Å | ||
| 231 | F | 38.9 | Very low | 57.5 | Low | 192 Ų | 192 | 112.5 Ų | 112.5 | 84% | 0.842 | 61% | 0.614 | S | S | * | * | trans | -70 | 78.6 | 162.5 | -138.6 | -89.3 | 0 | 0 | 0 | 105.9 | S229 G233 | S229-F231 PolarHBondContact O-N 3.4Å; F231-G233 PolarHBondContact O-N 2.88Å | ||
| 232 | Q | 49.4 | Very low | 60.1 | Low | 164 Ų | 164 | 114.1 Ų | 114.1 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | trans | -68.4 | 107.5 | 165 | -105.2 | 171.7 | -32.7 | 0 | 0 | 104.9 | T230 | T230-Q232 PolarHBondContact O-N 3.46Š| ||
| 233 | G | 55.8 | Low | 62.4 | Low | 45 Ų | 45 | 108.3 Ų | 108.3 | 46% | 0.464 | 58% | 0.579 | S | S | . | * | trans | -54.7 | 177.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F231 Q235 | F231-G233 PolarHBondContact O-N 2.88Å; G233-Q235 PolarHBondContact O-N 3.07Å; G233-Q235 VanDerWaalsContact O-N 3.15Å | ||
| 234 | P | 73.1 | Confident | 64.8 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -46.2 | 126.8 | 177.1 | -25.4 | 33.3 | 0 | 0 | 0 | 110.2 | H287 | P234-H287 HydrophobicContact CB-CB 3.67Å; P234-H287 HydrophobicContact CG-CB 4.46Å |
| 235 | Q | 82.6 | Confident | 67.2 | Low | 90 Ų | 90 | 100.9 Ų | 100.9 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 143.4 | -174.5 | -167.2 | -174.3 | -27.6 | 0 | 0 | 108.9 | G233 P237 V285 Y286 H287 | G233-Q235 PolarHBondContact O-N 3.07Å; G233-Q235 VanDerWaalsContact O-N 3.15Å; Q235-P237 WeakPolarHBondContact O-CD 3.26Å; Q235-V285 PolarHBondContact N-O 2.64Å; Q235-Y286 HydrophobicContact CB-CD1 4.25Å; Q235-Y286 HydrophobicContact CB-CE1 4.33Å; Q235-Y286 VanDerWaalsContact O-CA 3.27Å; Q235-Y286 WeakPolarHBondContact O-CA 3.38Å; Q235-Y286 WeakPolarHBondContact O-CD1 3.36Å; Q235-H287 PolarHBondContact O-N 3.06Å; Q235-H287 VanDerWaalsContact O-N 3.17Å |
| 236 | E | 84.3 | Confident | 69.5 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 122.1 | 166.1 | -166.6 | 175 | 176.9 | 0 | 0 | 108.4 | Y239 L288 | E236-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; E236-L288 HydrophobicContact CG-CD1 4.33Å |
| 237 | P | 89.7 | Confident | 71.4 | Confident | 5 Ų | 5 | 96.6 Ų | 96.6 | 3% | 0.032 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 155.2 | 177.5 | 30.4 | -34.1 | 0 | 0 | 0 | 110.9 | Q235 Y239 V258 L260 Y286 L288 | Q235-P237 WeakPolarHBondContact O-CD 3.26Å; P237-Y239 WeakPolarHBondContact O-CD1 3.42Å; P237-Y239 PolarHBondContact O-N 3.5Å; P237-V258 HydrophobicContact CB-CG1 3.54Å; P237-V258 HydrophobicContact CG-CG1 3.51Å; P237-L260 HydrophobicContact CB-CD2 3.9Å; P237-L260 HydrophobicContact CG-CD2 4.38Å; P237-Y286 HydrophobicContact CB-CD1 3.67Å; P237-Y286 HydrophobicContact CB-CE1 4.01Å; P237-Y286 HydrophobicContact CB-CG 4.25Å; P237-Y286 HydrophobicContact CG-CD1 4.27Å; P237-L288 HydrophobicContact CG-CB 3.84Å; P237-L288 HydrophobicContact CG-CD2 4.18Å; P237-L288 HydrophobicContact CG-CG 4.45Å |
| 238 | E | 89.1 | Confident | 73.2 | Confident | 153 Ų | 153 | 93.5 Ų | 93.5 | 72% | 0.715 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.3 | 171.1 | -172.3 | 174.3 | -171.7 | 0 | 0 | 109.2 | E259 | E238-E259 HydrophobicContact CB-CB 4.47Å; E238-E259 PolarHBondContact O-N 3.37Å |
| 239 | Y | 90.6 | Very high | 74.9 | Confident | 84 Ų | 84 | 91 Ų | 91 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.4 | -177.4 | 69.3 | -91.1 | 0 | 0 | 0 | 112.9 | E236 P237 V241 L256 T257 L288 L290 | E236-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; P237-Y239 WeakPolarHBondContact O-CD1 3.42Å; P237-Y239 PolarHBondContact O-N 3.5Å; Y239-V241 HydrophobicContact CD2-CG2 3.92Å; Y239-V241 HydrophobicContact CE2-CG2 4.18Å; Y239-L256 HydrophobicContact CD2-CD1 4.13Å; Y239-L256 HydrophobicContact CG-CD1 4.41Å; Y239-T257 CarbonylContact C-O 3.56Å; Y239-T257 WeakPolarHBondContact CA-O 3.27Å; Y239-T257 WeakPolarHBondContact CB-O 3.23Å; Y239-L288 HydrophobicContact CD1-CD1 3.57Å; Y239-L288 HydrophobicContact CD1-CD2 4.29Å; Y239-L288 HydrophobicContact CE1-CD1 3.56Å; Y239-L288 HydrophobicContact CG-CD1 4.31Å; Y239-L288 HydrophobicContact CG-CD2 4.36Å; Y239-L290 HydrophobicContact CD2-CD2 4.35Å; Y239-L290 HydrophobicContact CE2-CD1 3.67Å; Y239-L290 HydrophobicContact CE2-CD2 4.2Å |
| 240 | V | 89.9 | Confident | 77 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.5 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | E242 T257 | V240-E242 HydrophobicContact CG1-CG 4.01Å; V240-T257 PolarHBondContact N-O 2.98Å; V240-T257 PolarHBondContact O-N 3.33Å |
| 241 | V | 90.2 | Very high | 78.8 | Confident | 43 Ų | 43 | 86.5 Ų | 86.5 | 26% | 0.261 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.5 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | Y239 V254 E255 L256 L290 P293 | Y239-V241 HydrophobicContact CD2-CG2 3.92Å; Y239-V241 HydrophobicContact CE2-CG2 4.18Å; V241-V254 HydrophobicContact CG1-CG1 3.9Å; V241-E255 WeakPolarHBondContact CA-O 3.44Å; V241-L256 HydrophobicContact CG2-CD1 3.55Å; V241-L290 HydrophobicContact CG2-CD2 3.24Å; V241-L290 HydrophobicContact CG2-CG 4.47Å; V241-P293 HydrophobicContact CG1-CG 4.03Å |
| 242 | E | 88.6 | Confident | 81.1 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.5 | 179.9 | -62.6 | -173.7 | 165 | 0 | 0 | 110.6 | V240 E255 | V240-E242 HydrophobicContact CG1-CG 4.01Å; E242-E255 PolarHBondContact N-O 3.17Å; E242-E255 PolarHBondContact O-N 2.91Å |
| 243 | V | 89.4 | Confident | 83 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 30% | 0.303 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113 | 170.8 | -175.9 | 0 | 0 | 0 | 0 | 108 | P251 V254 P293 K294 | V243-P251 HydrophobicContact CG1-CB 3.68Å; V243-V254 HydrophobicContact CG2-CG2 4.43Å; V243-P293 HydrophobicContact CG2-CB 4.19Å; V243-P293 HydrophobicContact CG2-CG 3.5Å; V243-K294 HydrophobicContact CG1-CD 4.21Å |
| 244 | K | 86.7 | Confident | 84.6 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.2 | 175.5 | -68.3 | -177.6 | 170.3 | 176.4 | 0 | 109.7 | R252 S253 E255 | K244-R252 PolarHBondContact O-N 2.96Å; K244-S253 PolarHBondContact N-O 3.47Å; K244-S253 PolarHBondContact O-N 3.39Å; K244-E255 WeakPolarHBondContact CE-OE2 3.48Å; K244-E255 IonicContact NZ-OE2 3.2Å; K244-E255 PolarHBondContact NZ-OE2 3.24Å |
| 245 | S | 87.1 | Confident | 85.5 | Confident | 67 Ų | 67 | 75 Ų | 75 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 156.9 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | G249 V250 | S245-G249 PolarHBondContact OG-O 3.35Å; S245-V250 CarbonylContact C-O 3.5Å; S245-V250 WeakPolarHBondContact CA-O 3.26Å; S245-V250 WeakPolarHBondContact CB-O 3.33Å |
| 246 | D | 81.8 | Confident | 86 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | trans | -80.1 | 180 | 171.4 | 67.1 | 15.6 | 0 | 0 | 0 | 113.1 | A248 G249 V250 R252 | D246-A248 PolarHBondContact O-N 3.08Å; D246-A248 VanDerWaalsContact O-N 3.07Å; D246-A248 WeakPolarHBondContact OD1-CA 3.43Å; D246-A248 WeakPolarHBondContact OD1-CB 3.49Å; D246-A248 PolarHBondContact OD1-N 3.45Å; D246-G249 PolarHBondContact O-N 2.98Å; D246-G249 PolarHBondContact OD1-N 2.94Å; D246-G249 VanDerWaalsContact OD1-N 3.14Å; D246-V250 PolarHBondContact N-O 3.23Å; D246-V250 PolarHBondContact OD1-N 3.17Å; D246-R252 HydrophobicContact CB-CG 4.18Å; D246-R252 VanDerWaalsContact CB-NE 3.34Å; D246-R252 IonicContact OD2-CZ 3.15Å; D246-R252 IonicContact OD2-NE 2.64Å; D246-R252 PolarHBondContact OD2-NE 3.32Å; D246-R252 IonicContact OD2-NH2 4Å; D246-R252 PolarHBondContact OD2-NH2 2.69Å | ||
| 247 | V | 76.6 | Confident | 86.4 | Confident | 162 Ų | 162 | 66.6 Ų | 66.6 | 98% | 0.982 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.8 | 179.8 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 248 | A | 74.4 | Confident | 86.5 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 69% | 0.694 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D246 V250 | D246-A248 PolarHBondContact O-N 3.08Å; D246-A248 VanDerWaalsContact O-N 3.07Å; D246-A248 WeakPolarHBondContact OD1-CA 3.43Å; D246-A248 WeakPolarHBondContact OD1-CB 3.49Å; D246-A248 PolarHBondContact OD1-N 3.45Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 HydrophobicContact CB-CG2 4.47Å |
| 249 | G | 74.4 | Confident | 86.6 | Confident | 53 Ų | 53 | 62 Ų | 62 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 81.1 | 4.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S245 D246 | S245-G249 PolarHBondContact OG-O 3.35Å; D246-G249 PolarHBondContact O-N 2.98Å; D246-G249 PolarHBondContact OD1-N 2.94Å; D246-G249 VanDerWaalsContact OD1-N 3.14Å |
| 250 | V | 79.1 | Confident | 86.7 | Confident | 80 Ų | 80 | 58 Ų | 58 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | trans | -81.1 | 127.6 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | S245 D246 A248 R252 | S245-V250 CarbonylContact C-O 3.5Å; S245-V250 WeakPolarHBondContact CA-O 3.26Å; S245-V250 WeakPolarHBondContact CB-O 3.33Å; D246-V250 PolarHBondContact N-O 3.23Å; D246-V250 PolarHBondContact OD1-N 3.17Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 HydrophobicContact CB-CG2 4.47Å; V250-R252 PolarHBondContact O-N 2.61Å | ||
| 251 | P | 83.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 127.7 | 177.3 | 31 | -40.2 | 0 | 0 | 0 | 110.7 | V243 K294 V318 | V243-P251 HydrophobicContact CG1-CB 3.68Å; P251-K294 HydrophobicContact CB-CD 3.67Å; P251-K294 VanDerWaalsContact CB-NZ 3.29Å; P251-K294 HydrophobicContact CG-CD 3.8Å; P251-V318 HydrophobicContact CB-CG1 4.43Å; P251-V318 HydrophobicContact CB-CG2 4.34Å; P251-V318 HydrophobicContact CG-CG1 4.41Å |
| 252 | R | 86.1 | Confident | 86.3 | Confident | 164 Ų | 164 | 62.1 Ų | 62.1 | 62% | 0.619 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | -32.5 | 178 | -71.1 | -161.8 | -179.1 | 179 | 4.7 | 113.7 | K244 D246 V250 A317 V318 | K244-R252 PolarHBondContact O-N 2.96Å; D246-R252 HydrophobicContact CB-CG 4.18Å; D246-R252 VanDerWaalsContact CB-NE 3.34Å; D246-R252 IonicContact OD2-CZ 3.15Å; D246-R252 IonicContact OD2-NE 2.64Å; D246-R252 PolarHBondContact OD2-NE 3.32Å; D246-R252 IonicContact OD2-NH2 4Å; D246-R252 PolarHBondContact OD2-NH2 2.69Å; V250-R252 PolarHBondContact O-N 2.61Å; R252-A317 WeakPolarHBondContact O-CA 3.21Å; R252-V318 PolarHBondContact O-N 3.38Å |
| 253 | S | 88.9 | Confident | 86.2 | Confident | 25 Ų | 25 | 57 Ų | 57 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148.6 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | K244 A316 | K244-S253 PolarHBondContact N-O 3.47Å; K244-S253 PolarHBondContact O-N 3.39Å; S253-A316 CarbonylContact C-O 3.6Å; S253-A316 WeakPolarHBondContact CA-O 3.24Å; S253-A316 WeakPolarHBondContact CB-O 3.49Å |
| 254 | V | 91.3 | Very high | 85.6 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.8 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | V241 V243 F292 P293 V296 T315 A316 V318 | V241-V254 HydrophobicContact CG1-CG1 3.9Å; V243-V254 HydrophobicContact CG2-CG2 4.43Å; V254-F292 HydrophobicContact CG1-CD1 3.91Å; V254-F292 HydrophobicContact CG1-CE1 4.33Å; V254-P293 HydrophobicContact CG1-CG 4.49Å; V254-V296 HydrophobicContact CB-CG1 3.98Å; V254-V296 HydrophobicContact CG2-CG1 3.66Å; V254-T315 WeakPolarHBondContact O-CA 3.31Å; V254-A316 PolarHBondContact N-O 3.4Å; V254-A316 PolarHBondContact O-N 2.87Å; V254-V318 HydrophobicContact CG2-CG2 3.77Å |
| 255 | E | 91.8 | Very high | 85.4 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.8 | 172.2 | -173.5 | 169.7 | 144.6 | 0 | 0 | 109.7 | V241 E242 K244 T313 L314 | V241-E255 WeakPolarHBondContact CA-O 3.44Å; E242-E255 PolarHBondContact N-O 3.17Å; E242-E255 PolarHBondContact O-N 2.91Å; K244-E255 WeakPolarHBondContact CE-OE2 3.48Å; K244-E255 IonicContact NZ-OE2 3.2Å; K244-E255 PolarHBondContact NZ-OE2 3.24Å; E255-T313 HydrophobicContact CG-CG2 3.88Å; E255-L314 CarbonylContact C-O 3.59Å; E255-L314 WeakPolarHBondContact CA-O 3.34Å |
| 256 | L | 91.7 | Very high | 84.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.2 | 172.1 | 165.3 | 67.4 | 0 | 0 | 0 | 108.5 | Y239 V241 V258 V278 L290 T313 L314 | Y239-L256 HydrophobicContact CD2-CD1 4.13Å; Y239-L256 HydrophobicContact CG-CD1 4.41Å; V241-L256 HydrophobicContact CG2-CD1 3.55Å; L256-V258 HydrophobicContact CD1-CG2 3.79Å; L256-V258 HydrophobicContact CD2-CG2 3.99Å; L256-V258 HydrophobicContact CG-CG2 3.75Å; L256-V278 HydrophobicContact CD2-CG1 3.63Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; L256-L290 HydrophobicContact CD1-CD2 3.92Å; L256-L290 HydrophobicContact CD2-CD2 4.33Å; L256-T313 CarbonylContact O-C 3.42Å; L256-T313 WeakPolarHBondContact O-CA 3.2Å; L256-L314 HydrophobicContact CB-CB 4.21Å; L256-L314 HydrophobicContact CD2-CD2 4.22Å; L256-L314 PolarHBondContact N-O 3.1Å; L256-L314 PolarHBondContact O-N 3.11Å |
| 257 | T | 92.2 | Very high | 84.9 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.1 | 174 | -66 | 0 | 0 | 0 | 0 | 109.5 | Y239 V240 R311 L312 | Y239-T257 CarbonylContact C-O 3.56Å; Y239-T257 WeakPolarHBondContact CA-O 3.27Å; Y239-T257 WeakPolarHBondContact CB-O 3.23Å; V240-T257 PolarHBondContact N-O 2.98Å; V240-T257 PolarHBondContact O-N 3.33Å; T257-R311 HydrophobicContact CG2-CG 3.72Å; T257-L312 CarbonylContact C-O 3.58Å; T257-L312 WeakPolarHBondContact CA-O 3.46Å |
| 258 | V | 93.1 | Very high | 85.2 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.4 | -178.4 | -169.3 | 0 | 0 | 0 | 0 | 110 | P237 L256 L260 L280 L288 R311 L312 | P237-V258 HydrophobicContact CB-CG1 3.54Å; P237-V258 HydrophobicContact CG-CG1 3.51Å; L256-V258 HydrophobicContact CD1-CG2 3.79Å; L256-V258 HydrophobicContact CD2-CG2 3.99Å; L256-V258 HydrophobicContact CG-CG2 3.75Å; V258-L260 HydrophobicContact CG1-CD2 3.84Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; V258-L280 HydrophobicContact CB-CD2 4.4Å; V258-L280 HydrophobicContact CG1-CD2 3.93Å; V258-L280 HydrophobicContact CG2-CD2 4.46Å; V258-L288 HydrophobicContact CG1-CD2 4.22Å; V258-L288 HydrophobicContact CG2-CD2 3.8Å; V258-R311 WeakPolarHBondContact O-CA 3.44Å; V258-R311 WeakPolarHBondContact O-CG 3.48Å; V258-L312 HydrophobicContact CB-CB 4.4Å; V258-L312 PolarHBondContact N-O 3.04Å; V258-L312 PolarHBondContact O-N 3.49Å |
| 259 | E | 91.9 | Very high | 85.8 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.1 | 176.2 | -63.6 | -68.3 | 173.6 | 0 | 0 | 110.1 | E238 P261 R311 | E238-E259 HydrophobicContact CB-CB 4.47Å; E238-E259 PolarHBondContact O-N 3.37Å; E259-P261 VanDerWaalsContact C-CD 3.44Å; E259-P261 WeakPolarHBondContact O-CD 3.41Å; E259-R311 VanDerWaalsContact CD-CD 3.4Å; E259-R311 WeakPolarHBondContact OE1-CD 3.47Å; E259-R311 IonicContact OE1-CZ 3.87Å; E259-R311 IonicContact OE1-NE 2.76Å; E259-R311 IonicContact OE1-NH1 3.04Å; E259-R311 PolarHBondContact OE1-NH1 2.93Å |
| 260 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -127.9 | 61.3 | -172.3 | -62.4 | 172.9 | 0 | 0 | 0 | 111.3 | P237 V258 K262 V263 L280 Y286 F305 R310 L312 | P237-L260 HydrophobicContact CB-CD2 3.9Å; P237-L260 HydrophobicContact CG-CD2 4.38Å; V258-L260 HydrophobicContact CG1-CD2 3.84Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; L260-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact O-N 3.08Å; L260-V263 HydrophobicContact CB-CB 3.97Å; L260-V263 HydrophobicContact CB-CG2 3.8Å; L260-V263 HydrophobicContact CD1-CG2 4.35Å; L260-V263 HydrophobicContact CD2-CG2 4.42Å; L260-V263 HydrophobicContact CG-CG2 4.43Å; L260-V263 PolarHBondContact O-N 2.77Å; L260-L280 HydrophobicContact CD1-CD2 4.05Å; L260-L280 HydrophobicContact CD2-CD2 4Å; L260-Y286 HydrophobicContact CB-CE2 4.36Å; L260-Y286 HydrophobicContact CD2-CD1 4.49Å; L260-Y286 HydrophobicContact CD2-CD2 3.54Å; L260-Y286 HydrophobicContact CD2-CE2 3.91Å; L260-Y286 HydrophobicContact CD2-CG 3.89Å; L260-F305 HydrophobicContact CB-CE2 4.37Å; L260-F305 HydrophobicContact CD1-CE2 4.29Å; L260-R310 CarbonylContact C-O 3.5Å; L260-R310 VanDerWaalsContact C-O 3.3Å; L260-R310 WeakPolarHBondContact CA-O 3.36Å; L260-R310 PolarHBondContact N-O 3.02Å; L260-L312 HydrophobicContact CD1-CB 3.86Å; L260-L312 HydrophobicContact CD1-CD2 4.48Å | ||
| 261 | P | 86.6 | Confident | 87.1 | Confident | 89 Ų | 89 | 59 Ų | 59 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.4 | -173.2 | 22.4 | -33.7 | 0 | 0 | 0 | 113.9 | E259 Y286 | E259-P261 VanDerWaalsContact C-CD 3.44Å; E259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-Y286 VanDerWaalsContact CD-OH 3.27Å; P261-Y286 WeakPolarHBondContact CD-OH 3.43Å; P261-Y286 WeakPolarHBondContact CG-OH 3.31Å |
| 262 | K | 85.2 | Confident | 87.5 | Confident | 119 Ų | 119 | 64.7 Ų | 64.7 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.4 | -179.8 | -60 | 173.1 | -175.1 | 169.2 | 0 | 114 | L260 V285 Y286 | L260-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact O-N 3.08Å; K262-V285 HydrophobicContact CB-CG1 3.6Å; K262-V285 HydrophobicContact CD-CG1 3.72Å; K262-V285 HydrophobicContact CG-CG1 4.31Å; K262-Y286 HydrophobicContact CB-CE2 3.84Å; K262-Y286 HydrophobicContact CD-CE2 4.41Å; K262-Y286 HydrophobicContact CG-CE2 4.38Å; K262-Y286 WeakPolarHBondContact CG-OH 3.39Å |
| 263 | V | 86.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -89.2 | 126.3 | -175.5 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | L260 S265 E268 V282 Y286 F305 R310 | L260-V263 HydrophobicContact CB-CB 3.97Å; L260-V263 HydrophobicContact CB-CG2 3.8Å; L260-V263 HydrophobicContact CD1-CG2 4.35Å; L260-V263 HydrophobicContact CD2-CG2 4.42Å; L260-V263 HydrophobicContact CG-CG2 4.43Å; L260-V263 PolarHBondContact O-N 2.77Å; V263-S265 VanDerWaalsContact CG1-O 3.3Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å; V263-E268 HydrophobicContact CG1-CB 4.46Å; V263-V282 HydrophobicContact CG2-CG1 4Å; V263-V282 HydrophobicContact CG2-CG2 3.92Å; V263-Y286 HydrophobicContact CG2-CD2 3.96Å; V263-Y286 HydrophobicContact CG2-CE2 4.11Å; V263-F305 HydrophobicContact CB-CZ 4.31Å; V263-F305 HydrophobicContact CG1-CE2 4.32Å; V263-F305 HydrophobicContact CG1-CZ 3.97Å; V263-R310 WeakPolarHBondContact O-CD 3.33Å; V263-R310 PolarHBondContact O-NE 3.15Å; V263-R310 PolarHBondContact O-NH1 2.96Å | ||
| 264 | R | 77.9 | Confident | 87.8 | Confident | 190 Ų | 190 | 59.5 Ų | 59.5 | 72% | 0.717 | 30% | 0.299 | S | S | * | . | trans | -93.1 | -32.6 | -177.4 | -68.2 | -173.9 | 179.8 | -174.6 | 2.2 | 113.5 | E268 R310 | R264-E268 WeakPolarHBondContact CB-OE1 3.47Å; R264-E268 PolarHBondContact N-OE2 3.38Å; R264-R310 PolarHBondContact O-NH1 3.39Å | ||
| 265 | S | 81.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | trans | -143.2 | 153.4 | -177.5 | -170.5 | 0 | 0 | 0 | 0 | 112.2 | V263 S267 E268 | V263-S265 VanDerWaalsContact CG1-O 3.3Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å; S265-S267 PolarHBondContact O-N 2.97Å; S265-S267 PolarHBondContact OG-N 2.95Å; S265-S267 PolarHBondContact OG-OG 3.25Å; S265-E268 WeakPolarHBondContact CB-OE1 3.45Å; S265-E268 PolarHBondContact N-OE1 3.05Å; S265-E268 WeakPolarHBondContact O-CB 3.32Å; S265-E268 PolarHBondContact O-N 3.38Å; S265-E268 VanDerWaalsContact O-N 3.16Å | ||
| 266 | M | 78.4 | Confident | 87.5 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -64.1 | -22 | 172 | -86.6 | -63.2 | -76.9 | 0 | 0 | 113.7 | E268 C269 F305 L312 | M266-E268 PolarHBondContact O-N 3.39Å; M266-C269 PolarHBondContact O-N 3.45Å; M266-C269 HydrophobicContact SD-CB 4.3Å; M266-F305 HydrophobicContact CG-CB 3.21Å; M266-F305 HydrophobicContact CG-CD1 3.9Å; M266-F305 HydrophobicContact CG-CG 3.69Å; M266-F305 HydrophobicContact SD-CB 3.37Å; M266-F305 WeakPolarHBondContact SD-CB 3.4Å; M266-F305 HydrophobicContact SD-CD1 4.5Å; M266-F305 HydrophobicContact SD-CD2 4.16Å; M266-F305 HydrophobicContact SD-CG 3.8Å; M266-L312 HydrophobicContact CE-CD1 3.88Å; M266-L312 HydrophobicContact SD-CD1 3.81Å |
| 267 | S | 81.9 | Confident | 87.4 | Confident | 115 Ų | 115 | 71.8 Ų | 71.8 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -63.2 | -18.6 | 175.3 | -48.3 | 0 | 0 | 0 | 0 | 112.9 | S265 | S265-S267 PolarHBondContact O-N 2.97Å; S265-S267 PolarHBondContact OG-N 2.95Å; S265-S267 PolarHBondContact OG-OG 3.25Å |
| 268 | E | 82.6 | Confident | 87.4 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -86 | -9.2 | 177 | -62 | 156.9 | -133.2 | 0 | 0 | 112.1 | V263 R264 S265 M266 V282 | V263-E268 HydrophobicContact CG1-CB 4.46Å; R264-E268 WeakPolarHBondContact CB-OE1 3.47Å; R264-E268 PolarHBondContact N-OE2 3.38Å; S265-E268 WeakPolarHBondContact CB-OE1 3.45Å; S265-E268 PolarHBondContact N-OE1 3.05Å; S265-E268 WeakPolarHBondContact O-CB 3.32Å; S265-E268 PolarHBondContact O-N 3.38Å; S265-E268 VanDerWaalsContact O-N 3.16Å; M266-E268 PolarHBondContact O-N 3.39Å; E268-V282 HydrophobicContact CB-CG1 4.48Å |
| 269 | C | 85.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 72 Ų | 72 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.7 | -177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | M266 L280 E281 V282 | M266-C269 PolarHBondContact O-N 3.45Å; M266-C269 HydrophobicContact SD-CB 4.3Å; C269-L280 HydrophobicContact CB-CD1 3.99Å; C269-E281 WeakPolarHBondContact CA-O 3.47Å; C269-V282 HydrophobicContact CB-CG2 4.41Å |
| 270 | Q | 90.9 | Very high | 87.4 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114 | 164.1 | -62.3 | -178.3 | 39.7 | 0 | 0 | 108.3 | L280 E281 | Q270-L280 WeakPolarHBondContact O-CA 3.41Å; Q270-E281 HydrophobicContact CB-CB 4.35Å; Q270-E281 PolarHBondContact N-O 2.72Å; Q270-E281 PolarHBondContact O-N 3Å |
| 271 | L | 91.1 | Very high | 87.4 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.3 | 178.2 | -177.2 | 69.1 | 0 | 0 | 0 | 109.1 | V273 V278 L279 L280 A303 L312 L314 | L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 4.28Å; L271-V278 HydrophobicContact CD1-CG2 3.6Å; L271-L279 CarbonylContact C-O 3.51Å; L271-L279 WeakPolarHBondContact CA-O 3.48Å; L271-L280 HydrophobicContact CD1-CB 4.16Å; L271-L280 HydrophobicContact CD1-CD1 4.3Å; L271-A303 HydrophobicContact CD2-CB 3.43Å; L271-A303 VanDerWaalsContact CD2-CB 3.43Å; L271-L312 HydrophobicContact CD1-CD2 4.39Å; L271-L312 HydrophobicContact CD2-CD2 4.41Å; L271-L314 HydrophobicContact CD2-CD1 4.36Å |
| 272 | R | 91.4 | Very high | 87.5 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.7 | 172.8 | -56.9 | -174.3 | -174.9 | -177.2 | 5.2 | 108.7 | V278 L279 | R272-V278 WeakPolarHBondContact O-CA 3.36Å; R272-V278 WeakPolarHBondContact O-CG2 3.25Å; R272-L279 HydrophobicContact CB-CB 4.36Å; R272-L279 PolarHBondContact N-O 3.05Å; R272-L279 PolarHBondContact O-N 3.44Å |
| 273 | V | 90.9 | Very high | 87.3 | Confident | 36 Ų | 36 | 71 Ų | 71 | 22% | 0.218 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.4 | -179.1 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | L271 V278 F292 V296 A301 L314 | L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 4.28Å; V273-V278 HydrophobicContact CG2-CG2 4.17Å; V273-F292 HydrophobicContact CG1-CE2 3.87Å; V273-F292 HydrophobicContact CG1-CZ 3.98Å; V273-V296 HydrophobicContact CG1-CG2 4.5Å; V273-A301 HydrophobicContact CB-CB 4.34Å; V273-A301 HydrophobicContact CG1-CB 3.96Å; V273-A301 HydrophobicContact CG2-CB 4.44Å; V273-L314 HydrophobicContact CG2-CD1 3.98Å; V273-L314 HydrophobicContact CG2-CD2 3.88Å |
| 274 | S | 89.6 | Confident | 87 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | trans | -114.3 | 175.6 | 172 | -36.5 | 0 | 0 | 0 | 0 | 109.6 | E276 D277 F292 V296 E298 | S274-E276 PolarHBondContact O-N 3.32Å; S274-D277 WeakPolarHBondContact CB-OD1 3.36Å; S274-D277 PolarHBondContact N-O 2.87Å; S274-D277 PolarHBondContact OG-OD1 3.08Å; S274-F292 WeakPolarHBondContact O-CE2 3.44Å; S274-V296 WeakPolarHBondContact O-CG2 2.96Å; S274-E298 VanDerWaalsContact CA-OE1 3.26Å; S274-E298 WeakPolarHBondContact CA-OE1 3.27Å | ||
| 275 | K | 88 | Confident | 87.4 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -56.9 | -32.6 | 175.7 | -62.9 | -176.2 | -173 | 172.8 | 0 | 113.7 | T295 V296 E298 L319 | K275-T295 CarbonylContact O-C 3.58Å; K275-T295 VanDerWaalsContact O-CA 3.3Å; K275-T295 WeakPolarHBondContact O-CA 3.45Å; K275-V296 PolarHBondContact O-N 3.47Å; K275-E298 HydrophobicContact CG-CG 4.04Å; K275-E298 VanDerWaalsContact CG-OE1 3.28Å; K275-E298 WeakPolarHBondContact CG-OE1 3.45Å; K275-E298 PolarHBondContact N-OE1 2.93Å; K275-L319 HydrophobicContact CD-CD1 4.48Å |
| 276 | E | 88.8 | Confident | 87.7 | Confident | 137 Ų | 137 | 69.6 Ų | 69.6 | 64% | 0.64 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -114.8 | -19.3 | -168.2 | -68.1 | 168 | -160.6 | 0 | 0 | 112.6 | S274 E291 F292 T295 | S274-E276 PolarHBondContact O-N 3.32Å; E276-E291 CarbonylContact O-C 3.55Å; E276-E291 WeakPolarHBondContact O-CA 3.39Å; E276-F292 PolarHBondContact O-N 3.22Å; E276-T295 HydrophobicContact CG-CG2 4.29Å |
| 277 | D | 91.5 | Very high | 88.3 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 168.5 | -173.5 | 65.3 | 24.6 | 0 | 0 | 0 | 114 | S274 L290 F292 | S274-D277 WeakPolarHBondContact CB-OD1 3.36Å; S274-D277 PolarHBondContact N-O 2.87Å; S274-D277 PolarHBondContact OG-OD1 3.08Å; D277-L290 CarbonylContact C-O 3.48Å; D277-L290 VanDerWaalsContact CA-O 3.28Å; D277-L290 WeakPolarHBondContact CA-O 3.5Å; D277-F292 WeakPolarHBondContact O-CE2 3.38Å |
| 278 | V | 91.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.1 | 170.8 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | L256 L271 R272 V273 L290 F292 L314 | L256-V278 HydrophobicContact CD2-CG1 3.63Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; L271-V278 HydrophobicContact CD1-CG2 3.6Å; R272-V278 WeakPolarHBondContact O-CA 3.36Å; R272-V278 WeakPolarHBondContact O-CG2 3.25Å; V273-V278 HydrophobicContact CG2-CG2 4.17Å; V278-L290 HydrophobicContact CG1-CB 4.03Å; V278-L290 HydrophobicContact CG1-CD2 4.27Å; V278-L290 PolarHBondContact N-O 2.98Å; V278-L290 PolarHBondContact O-N 2.97Å; V278-F292 HydrophobicContact CB-CE1 4.16Å; V278-F292 HydrophobicContact CB-CE2 4.12Å; V278-F292 HydrophobicContact CB-CZ 3.6Å; V278-F292 HydrophobicContact CG1-CD1 4.49Å; V278-F292 HydrophobicContact CG1-CE1 3.75Å; V278-F292 HydrophobicContact CG1-CE2 4.44Å; V278-F292 HydrophobicContact CG1-CZ 3.73Å; V278-L314 HydrophobicContact CB-CD2 4.3Å; V278-L314 HydrophobicContact CG2-CD2 3.76Å |
| 279 | L | 92.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.8 | 175.5 | 176.6 | 66.2 | 0 | 0 | 0 | 109.7 | L271 R272 E281 L288 L289 | L271-L279 CarbonylContact C-O 3.51Å; L271-L279 WeakPolarHBondContact CA-O 3.48Å; R272-L279 HydrophobicContact CB-CB 4.36Å; R272-L279 PolarHBondContact N-O 3.05Å; R272-L279 PolarHBondContact O-N 3.44Å; L279-E281 HydrophobicContact CD1-CG 3.88Å; L279-E281 HydrophobicContact CD2-CG 4.26Å; L279-E281 HydrophobicContact CG-CG 3.94Å; L279-L288 CarbonylContact C-O 3.51Å; L279-L288 WeakPolarHBondContact CA-O 3.44Å; L279-L289 HydrophobicContact CB-CD1 4.26Å; L279-L289 HydrophobicContact CD1-CB 4.2Å; L279-L289 HydrophobicContact CD1-CD1 4.33Å |
| 280 | L | 91.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.4 | 171.4 | 172.3 | 70 | 0 | 0 | 0 | 109.8 | V258 L260 C269 Q270 L271 L288 L312 | V258-L280 HydrophobicContact CB-CD2 4.4Å; V258-L280 HydrophobicContact CG1-CD2 3.93Å; V258-L280 HydrophobicContact CG2-CD2 4.46Å; L260-L280 HydrophobicContact CD1-CD2 4.05Å; L260-L280 HydrophobicContact CD2-CD2 4Å; C269-L280 HydrophobicContact CB-CD1 3.99Å; Q270-L280 WeakPolarHBondContact O-CA 3.41Å; L271-L280 HydrophobicContact CD1-CB 4.16Å; L271-L280 HydrophobicContact CD1-CD1 4.3Å; L280-L288 HydrophobicContact CB-CB 4.26Å; L280-L288 PolarHBondContact N-O 2.94Å; L280-L288 PolarHBondContact O-N 3.08Å; L280-L312 HydrophobicContact CD1-CD2 3.97Å; L280-L312 HydrophobicContact CD2-CD2 4.11Å |
| 281 | E | 91.1 | Very high | 89.1 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.2 | 178.6 | -61.8 | -178.5 | 121.1 | 0 | 0 | 110.9 | C269 Q270 L279 H287 | C269-E281 WeakPolarHBondContact CA-O 3.47Å; Q270-E281 HydrophobicContact CB-CB 4.35Å; Q270-E281 PolarHBondContact N-O 2.72Å; Q270-E281 PolarHBondContact O-N 3Å; L279-E281 HydrophobicContact CD1-CG 3.88Å; L279-E281 HydrophobicContact CD2-CG 4.26Å; L279-E281 HydrophobicContact CG-CG 3.94Å; E281-H287 IonicContact OE1-CE1 2.56Å; E281-H287 IonicContact OE1-ND1 2.89Å |
| 282 | V | 87.9 | Confident | 89 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 116.2 | 169.6 | -175.7 | 0 | 0 | 0 | 0 | 106.6 | V263 E268 C269 D284 V285 Y286 | V263-V282 HydrophobicContact CG2-CG1 4Å; V263-V282 HydrophobicContact CG2-CG2 3.92Å; E268-V282 HydrophobicContact CB-CG1 4.48Å; C269-V282 HydrophobicContact CB-CG2 4.41Å; V282-D284 PolarHBondContact O-N 3.36Å; V282-V285 HydrophobicContact CB-CB 4.19Å; V282-V285 HydrophobicContact CG1-CB 3.76Å; V282-V285 HydrophobicContact CG1-CG1 4.48Å; V282-V285 HydrophobicContact CG1-CG2 4.16Å; V282-V285 PolarHBondContact O-N 2.86Å; V282-Y286 HydrophobicContact CB-CD2 4.49Å; V282-Y286 HydrophobicContact CG2-CD2 4.39Å; V282-Y286 PolarHBondContact N-O 2.68Å; V282-Y286 PolarHBondContact O-N 3.46Å; V282-Y286 VanDerWaalsContact O-N 3.1Å |
| 283 | E | 82.3 | Confident | 88.7 | Confident | 173 Ų | 173 | 63.5 Ų | 63.5 | 81% | 0.808 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 120.4 | -174.1 | -170.9 | 172.3 | -163.2 | 0 | 0 | 111.4 | V285 | E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 3.31Å |
| 284 | D | 78.8 | Confident | 88.4 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 77% | 0.77 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 13.7 | -178.8 | -60.6 | -33.5 | 0 | 0 | 0 | 116.7 | V282 | V282-D284 PolarHBondContact O-N 3.36Š|
| 285 | V | 86.5 | Confident | 88.3 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -56 | -177.2 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | Q235 K262 V282 E283 | Q235-V285 PolarHBondContact N-O 2.64Å; K262-V285 HydrophobicContact CB-CG1 3.6Å; K262-V285 HydrophobicContact CD-CG1 3.72Å; K262-V285 HydrophobicContact CG-CG1 4.31Å; V282-V285 HydrophobicContact CB-CB 4.19Å; V282-V285 HydrophobicContact CG1-CB 3.76Å; V282-V285 HydrophobicContact CG1-CG1 4.48Å; V282-V285 HydrophobicContact CG1-CG2 4.16Å; V282-V285 PolarHBondContact O-N 2.86Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 3.31Å |
| 286 | Y | 88.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.7 | -175.1 | -67.2 | -67.3 | 0 | 0 | 0 | 112.1 | Q235 P237 L260 P261 K262 V263 V282 | Q235-Y286 HydrophobicContact CB-CD1 4.25Å; Q235-Y286 HydrophobicContact CB-CE1 4.33Å; Q235-Y286 VanDerWaalsContact O-CA 3.27Å; Q235-Y286 WeakPolarHBondContact O-CA 3.38Å; Q235-Y286 WeakPolarHBondContact O-CD1 3.36Å; P237-Y286 HydrophobicContact CB-CD1 3.67Å; P237-Y286 HydrophobicContact CB-CE1 4.01Å; P237-Y286 HydrophobicContact CB-CG 4.25Å; P237-Y286 HydrophobicContact CG-CD1 4.27Å; L260-Y286 HydrophobicContact CB-CE2 4.36Å; L260-Y286 HydrophobicContact CD2-CD1 4.49Å; L260-Y286 HydrophobicContact CD2-CD2 3.54Å; L260-Y286 HydrophobicContact CD2-CE2 3.91Å; L260-Y286 HydrophobicContact CD2-CG 3.89Å; P261-Y286 VanDerWaalsContact CD-OH 3.27Å; P261-Y286 WeakPolarHBondContact CD-OH 3.43Å; P261-Y286 WeakPolarHBondContact CG-OH 3.31Å; K262-Y286 HydrophobicContact CB-CE2 3.84Å; K262-Y286 HydrophobicContact CD-CE2 4.41Å; K262-Y286 HydrophobicContact CG-CE2 4.38Å; K262-Y286 WeakPolarHBondContact CG-OH 3.39Å; V263-Y286 HydrophobicContact CG2-CD2 3.96Å; V263-Y286 HydrophobicContact CG2-CE2 4.11Å; V282-Y286 HydrophobicContact CB-CD2 4.49Å; V282-Y286 HydrophobicContact CG2-CD2 4.39Å; V282-Y286 PolarHBondContact N-O 2.68Å; V282-Y286 PolarHBondContact O-N 3.46Å; V282-Y286 VanDerWaalsContact O-N 3.1Å |
| 287 | H | 90.3 | Very high | 88.4 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.6 | 169 | -177 | 86.2 | 0 | 0 | 0 | 109 | P234 Q235 E281 | P234-H287 HydrophobicContact CB-CB 3.67Å; P234-H287 HydrophobicContact CG-CB 4.46Å; Q235-H287 PolarHBondContact O-N 3.06Å; Q235-H287 VanDerWaalsContact O-N 3.17Å; E281-H287 IonicContact OE1-CE1 2.56Å; E281-H287 IonicContact OE1-ND1 2.89Å |
| 288 | L | 89.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 117.2 | 176.9 | 174.8 | 68.5 | 0 | 0 | 0 | 109 | E236 P237 Y239 V258 L279 L280 L290 | E236-L288 HydrophobicContact CG-CD1 4.33Å; P237-L288 HydrophobicContact CG-CB 3.84Å; P237-L288 HydrophobicContact CG-CD2 4.18Å; P237-L288 HydrophobicContact CG-CG 4.45Å; Y239-L288 HydrophobicContact CD1-CD1 3.57Å; Y239-L288 HydrophobicContact CD1-CD2 4.29Å; Y239-L288 HydrophobicContact CE1-CD1 3.56Å; Y239-L288 HydrophobicContact CG-CD1 4.31Å; Y239-L288 HydrophobicContact CG-CD2 4.36Å; V258-L288 HydrophobicContact CG1-CD2 4.22Å; V258-L288 HydrophobicContact CG2-CD2 3.8Å; L279-L288 CarbonylContact C-O 3.51Å; L279-L288 WeakPolarHBondContact CA-O 3.44Å; L280-L288 HydrophobicContact CB-CB 4.26Å; L280-L288 PolarHBondContact N-O 2.94Å; L280-L288 PolarHBondContact O-N 3.08Å; L288-L290 HydrophobicContact CD1-CB 4.39Å; L288-L290 HydrophobicContact CG-CB 4.47Å |
| 289 | L | 91.6 | Very high | 88.1 | Confident | 109 Ų | 109 | 66 Ų | 66 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.7 | 167 | 177 | 63.2 | 0 | 0 | 0 | 107.7 | L279 | L279-L289 HydrophobicContact CB-CD1 4.26Å; L279-L289 HydrophobicContact CD1-CB 4.2Å; L279-L289 HydrophobicContact CD1-CD1 4.33Å |
| 290 | L | 89.9 | Confident | 87.8 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.5 | -174.5 | 176.7 | 78.7 | 0 | 0 | 0 | 110.4 | Y239 V241 L256 D277 V278 L288 | Y239-L290 HydrophobicContact CD2-CD2 4.35Å; Y239-L290 HydrophobicContact CE2-CD1 3.67Å; Y239-L290 HydrophobicContact CE2-CD2 4.2Å; V241-L290 HydrophobicContact CG2-CD2 3.24Å; V241-L290 HydrophobicContact CG2-CG 4.47Å; L256-L290 HydrophobicContact CD1-CD2 3.92Å; L256-L290 HydrophobicContact CD2-CD2 4.33Å; D277-L290 CarbonylContact C-O 3.48Å; D277-L290 VanDerWaalsContact CA-O 3.28Å; D277-L290 WeakPolarHBondContact CA-O 3.5Å; V278-L290 HydrophobicContact CG1-CB 4.03Å; V278-L290 HydrophobicContact CG1-CD2 4.27Å; V278-L290 PolarHBondContact N-O 2.98Å; V278-L290 PolarHBondContact O-N 2.97Å; L288-L290 HydrophobicContact CD1-CB 4.39Å; L288-L290 HydrophobicContact CG-CB 4.47Å |
| 291 | E | 87.4 | Confident | 87.7 | Confident | 161 Ų | 161 | 68.9 Ų | 68.9 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 135.3 | 169.3 | -63.6 | -179.5 | 163.5 | 0 | 0 | 110.7 | E276 | E276-E291 CarbonylContact O-C 3.55Å; E276-E291 WeakPolarHBondContact O-CA 3.39Å |
| 292 | F | 87.6 | Confident | 87.6 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | trans | -72.4 | 142.4 | 175.9 | -68.3 | -59 | 0 | 0 | 0 | 111.2 | V254 V273 S274 E276 D277 V278 K294 V296 L314 | V254-F292 HydrophobicContact CG1-CD1 3.91Å; V254-F292 HydrophobicContact CG1-CE1 4.33Å; V273-F292 HydrophobicContact CG1-CE2 3.87Å; V273-F292 HydrophobicContact CG1-CZ 3.98Å; S274-F292 WeakPolarHBondContact O-CE2 3.44Å; E276-F292 PolarHBondContact O-N 3.22Å; D277-F292 WeakPolarHBondContact O-CE2 3.38Å; V278-F292 HydrophobicContact CB-CE1 4.16Å; V278-F292 HydrophobicContact CB-CE2 4.12Å; V278-F292 HydrophobicContact CB-CZ 3.6Å; V278-F292 HydrophobicContact CG1-CD1 4.49Å; V278-F292 HydrophobicContact CG1-CE1 3.75Å; V278-F292 HydrophobicContact CG1-CE2 4.44Å; V278-F292 HydrophobicContact CG1-CZ 3.73Å; F292-K294 VanDerWaalsContact CB-O 3.24Å; F292-K294 WeakPolarHBondContact CB-O 3.46Å; F292-K294 PolarHBondContact O-N 2.93Å; F292-K294 VanDerWaalsContact O-N 3.17Å; F292-V296 HydrophobicContact CB-CG1 4.42Å; F292-V296 HydrophobicContact CD1-CG1 4.5Å; F292-V296 HydrophobicContact CD2-CB 4.46Å; F292-V296 HydrophobicContact CD2-CG1 4.12Å; F292-V296 HydrophobicContact CD2-CG2 3.5Å; F292-V296 HydrophobicContact CE2-CG1 4.49Å; F292-V296 HydrophobicContact CE2-CG2 3.41Å; F292-V296 VanDerWaalsContact CE2-CG2 3.41Å; F292-V296 HydrophobicContact CG-CG1 4.11Å; F292-V296 HydrophobicContact CG-CG2 4.32Å; F292-V296 HydrophobicContact CZ-CG2 4.17Å; F292-L314 HydrophobicContact CE1-CD2 4.3Å; F292-L314 HydrophobicContact CZ-CD2 3.98Å | ||
| 293 | P | 85.6 | Confident | 87.8 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -66.8 | -17.4 | 176.4 | 27.7 | -35.7 | 0 | 0 | 0 | 113.2 | V241 V243 V254 | V241-P293 HydrophobicContact CG1-CG 4.03Å; V243-P293 HydrophobicContact CG2-CB 4.19Å; V243-P293 HydrophobicContact CG2-CG 3.5Å; V254-P293 HydrophobicContact CG1-CG 4.49Å |
| 294 | K | 85 | Confident | 88.2 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -144.3 | 149.8 | 174.7 | -63.4 | -170.2 | -180 | -177.3 | 0 | 109.2 | V243 P251 F292 V296 V318 | V243-K294 HydrophobicContact CG1-CD 4.21Å; P251-K294 HydrophobicContact CB-CD 3.67Å; P251-K294 VanDerWaalsContact CB-NZ 3.29Å; P251-K294 HydrophobicContact CG-CD 3.8Å; F292-K294 VanDerWaalsContact CB-O 3.24Å; F292-K294 WeakPolarHBondContact CB-O 3.46Å; F292-K294 PolarHBondContact O-N 2.93Å; F292-K294 VanDerWaalsContact O-N 3.17Å; K294-V296 PolarHBondContact O-N 3.28Å; K294-V318 HydrophobicContact CB-CG1 3.98Å; K294-V318 HydrophobicContact CB-CG2 4.31Å; K294-V318 HydrophobicContact CD-CG1 4.16Å |
| 295 | T | 87.9 | Confident | 88.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | trans | -60.5 | 128.5 | 174.7 | 44.1 | 0 | 0 | 0 | 0 | 111 | K275 E276 L319 | K275-T295 CarbonylContact O-C 3.58Å; K275-T295 VanDerWaalsContact O-CA 3.3Å; K275-T295 WeakPolarHBondContact O-CA 3.45Å; E276-T295 HydrophobicContact CG-CG2 4.29Å; T295-L319 PolarHBondContact O-N 3.45Å | ||
| 296 | V | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 156.1 | -178.2 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | V254 V273 S274 K275 F292 K294 A316 A317 L319 | V254-V296 HydrophobicContact CB-CG1 3.98Å; V254-V296 HydrophobicContact CG2-CG1 3.66Å; V273-V296 HydrophobicContact CG1-CG2 4.5Å; S274-V296 WeakPolarHBondContact O-CG2 2.96Å; K275-V296 PolarHBondContact O-N 3.47Å; F292-V296 HydrophobicContact CB-CG1 4.42Å; F292-V296 HydrophobicContact CD1-CG1 4.5Å; F292-V296 HydrophobicContact CD2-CB 4.46Å; F292-V296 HydrophobicContact CD2-CG1 4.12Å; F292-V296 HydrophobicContact CD2-CG2 3.5Å; F292-V296 HydrophobicContact CE2-CG1 4.49Å; F292-V296 HydrophobicContact CE2-CG2 3.41Å; F292-V296 VanDerWaalsContact CE2-CG2 3.41Å; F292-V296 HydrophobicContact CG-CG1 4.11Å; F292-V296 HydrophobicContact CG-CG2 4.32Å; F292-V296 HydrophobicContact CZ-CG2 4.17Å; K294-V296 PolarHBondContact O-N 3.28Å; V296-A316 HydrophobicContact CB-CB 3.81Å; V296-A316 HydrophobicContact CG1-CB 4.1Å; V296-A316 HydrophobicContact CG2-CB 4.14Å; V296-A317 CarbonylContact C-O 3.3Å; V296-A317 VanDerWaalsContact CA-O 3.28Å; V296-A317 WeakPolarHBondContact CA-O 3.5Å; V296-L319 VanDerWaalsContact O-CD1 3.31Å; V296-L319 WeakPolarHBondContact O-CD1 3.48Å |
| 297 | N | 88.6 | Confident | 88.6 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | trans | -86.8 | 108.5 | 172.8 | -175.4 | -19.8 | 0 | 0 | 0 | 109.9 | D299 T300 A301 A317 L319 | N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.2Å; N297-D299 WeakPolarHBondContact OD1-CB 3.37Å; N297-D299 PolarHBondContact OD1-N 2.86Å; N297-T300 HydrophobicContact CB-CG2 4.07Å; N297-T300 PolarHBondContact O-N 3.41Å; N297-T300 PolarHBondContact O-OG1 2.85Å; N297-A301 PolarHBondContact O-N 3.39Å; N297-A317 PolarHBondContact N-O 3.49Å; N297-L319 HydrophobicContact CB-CD2 3.77Å; N297-L319 HydrophobicContact CB-CG 4.02Å | ||
| 298 | E | 87.6 | Confident | 88.4 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -52.6 | -39.8 | 178.9 | -64.3 | 175.4 | -175.5 | 0 | 0 | 112.8 | S274 K275 T300 A301 | S274-E298 VanDerWaalsContact CA-OE1 3.26Å; S274-E298 WeakPolarHBondContact CA-OE1 3.27Å; K275-E298 HydrophobicContact CG-CG 4.04Å; K275-E298 VanDerWaalsContact CG-OE1 3.28Å; K275-E298 WeakPolarHBondContact CG-OE1 3.45Å; K275-E298 PolarHBondContact N-OE1 2.93Å; E298-T300 PolarHBondContact O-N 3.42Å; E298-A301 VanDerWaalsContact O-CB 3.31Å; E298-A301 WeakPolarHBondContact O-CB 3.48Å; E298-A301 PolarHBondContact O-N 3.19Å; E298-A301 VanDerWaalsContact O-N 3.14Å |
| 299 | D | 88.1 | Confident | 88.2 | Confident | 155 Ų | 155 | 79.8 Ų | 79.8 | 83% | 0.829 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -68.8 | -17.6 | -178 | -63.1 | -45.1 | 0 | 0 | 0 | 112.8 | N297 | N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.2Å; N297-D299 WeakPolarHBondContact OD1-CB 3.37Å; N297-D299 PolarHBondContact OD1-N 2.86Å |
| 300 | T | 87.3 | Confident | 88.1 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 37% | 0.368 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -99.9 | -2 | 178.8 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | N297 E298 A302 A317 | N297-T300 HydrophobicContact CB-CG2 4.07Å; N297-T300 PolarHBondContact O-N 3.41Å; N297-T300 PolarHBondContact O-OG1 2.85Å; E298-T300 PolarHBondContact O-N 3.42Å; T300-A302 PolarHBondContact O-N 3.36Å; T300-A317 HydrophobicContact CG2-CB 4.19Å; T300-A317 VanDerWaalsContact OG1-CB 3.29Å; T300-A317 WeakPolarHBondContact OG1-CB 3.36Å; T300-A317 PolarHBondContact OG1-N 2.95Å |
| 301 | A | 89.3 | Confident | 88.1 | Confident | 35 Ų | 35 | 80.5 Ų | 80.5 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | trans | -69.9 | 124.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | V273 N297 E298 L314 T315 A316 | V273-A301 HydrophobicContact CB-CB 4.34Å; V273-A301 HydrophobicContact CG1-CB 3.96Å; V273-A301 HydrophobicContact CG2-CB 4.44Å; N297-A301 PolarHBondContact O-N 3.39Å; E298-A301 VanDerWaalsContact O-CB 3.31Å; E298-A301 WeakPolarHBondContact O-CB 3.48Å; E298-A301 PolarHBondContact O-N 3.19Å; E298-A301 VanDerWaalsContact O-N 3.14Å; A301-L314 HydrophobicContact CB-CD1 4.36Å; A301-T315 CarbonylContact C-O 3.6Å; A301-T315 WeakPolarHBondContact CA-O 3.49Å; A301-A316 HydrophobicContact CB-CB 4.1Å | ||
| 302 | A | 89.9 | Confident | 88.3 | Confident | 56 Ų | 56 | 73 Ų | 73 | 46% | 0.463 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T300 L314 T315 | T300-A302 PolarHBondContact O-N 3.36Å; A302-L314 CarbonylContact O-C 3.44Å; A302-L314 WeakPolarHBondContact O-CA 3.36Å; A302-T315 PolarHBondContact N-O 3.42Å; A302-T315 PolarHBondContact O-N 3.03Å |
| 303 | A | 91.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | L271 L312 T313 L314 | L271-A303 HydrophobicContact CD2-CB 3.43Å; L271-A303 VanDerWaalsContact CD2-CB 3.43Å; A303-L312 HydrophobicContact CB-CD1 4.18Å; A303-T313 CarbonylContact C-O 3.59Å; A303-T313 WeakPolarHBondContact CA-O 3.44Å; A303-L314 HydrophobicContact CB-CD1 4.08Å |
| 304 | V | 90.8 | Very high | 88.9 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.6 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | T313 | V304-T313 PolarHBondContact N-O 3.15Å; V304-T313 PolarHBondContact O-N 2.86Å |
| 305 | F | 90.8 | Very high | 89.2 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 11% | 0.114 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.1 | 176.1 | -177.8 | -107.8 | 0 | 0 | 0 | 112.3 | L260 V263 M266 K307 R311 L312 | L260-F305 HydrophobicContact CB-CE2 4.37Å; L260-F305 HydrophobicContact CD1-CE2 4.29Å; V263-F305 HydrophobicContact CB-CZ 4.31Å; V263-F305 HydrophobicContact CG1-CE2 4.32Å; V263-F305 HydrophobicContact CG1-CZ 3.97Å; M266-F305 HydrophobicContact CG-CB 3.21Å; M266-F305 HydrophobicContact CG-CD1 3.9Å; M266-F305 HydrophobicContact CG-CG 3.69Å; M266-F305 HydrophobicContact SD-CB 3.37Å; M266-F305 WeakPolarHBondContact SD-CB 3.4Å; M266-F305 HydrophobicContact SD-CD1 4.5Å; M266-F305 HydrophobicContact SD-CD2 4.16Å; M266-F305 HydrophobicContact SD-CG 3.8Å; F305-K307 HydrophobicContact CD1-CG 3.92Å; F305-K307 HydrophobicContact CE1-CB 4.46Å; F305-K307 HydrophobicContact CE1-CG 3.95Å; F305-K307 PolarHBondContact O-N 2.88Å; F305-R311 CarbonylContact C-O 3.41Å; F305-R311 WeakPolarHBondContact CA-O 3.31Å; F305-R311 WeakPolarHBondContact CD2-O 3.14Å; F305-L312 HydrophobicContact CB-CD1 4.17Å; F305-L312 HydrophobicContact CD2-CB 4.25Å |
| 306 | N | 87.9 | Confident | 89.4 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 100.8 | 174.9 | -169.1 | -43.9 | 0 | 0 | 0 | 110.4 | K308 K309 R310 R311 | N306-K308 PolarHBondContact O-N 3.21Å; N306-K308 WeakPolarHBondContact OD1-CB 3.27Å; N306-K308 PolarHBondContact OD1-N 2.89Å; N306-K309 HydrophobicContact CB-CB 4.19Å; N306-K309 CarbonylContact O-C 3.59Å; N306-K309 PolarHBondContact O-N 3.09Å; N306-K309 PolarHBondContact OD1-N 2.9Å; N306-R310 WeakPolarHBondContact O-CA 3.44Å; N306-R310 PolarHBondContact O-N 3.42Å; N306-R311 PolarHBondContact N-O 2.89Å; N306-R311 PolarHBondContact O-N 3.36Å |
| 307 | K | 84.9 | Confident | 89.4 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 59% | 0.591 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.2 | 179.3 | -64.7 | -175.1 | 179.8 | -176.5 | 0 | 114.2 | F305 | F305-K307 HydrophobicContact CD1-CG 3.92Å; F305-K307 HydrophobicContact CE1-CB 4.46Å; F305-K307 HydrophobicContact CE1-CG 3.95Å; F305-K307 PolarHBondContact O-N 2.88Å |
| 308 | K | 84.3 | Confident | 89.4 | Confident | 201 Ų | 201 | 66.4 Ų | 66.4 | 87% | 0.874 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -41.5 | -179.8 | -66.7 | -175.8 | 178.3 | -178.7 | 0 | 111.6 | N306 | N306-K308 PolarHBondContact O-N 3.21Å; N306-K308 WeakPolarHBondContact OD1-CB 3.27Å; N306-K308 PolarHBondContact OD1-N 2.89Å |
| 309 | K | 86.8 | Confident | 89.1 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.1 | 179.2 | -63.9 | -171.4 | 177.4 | -176.2 | 0 | 113.5 | N306 R311 | N306-K309 HydrophobicContact CB-CB 4.19Å; N306-K309 CarbonylContact O-C 3.59Å; N306-K309 PolarHBondContact O-N 3.09Å; N306-K309 PolarHBondContact OD1-N 2.9Å; K309-R311 VanDerWaalsContact C-N 3.3Å; K309-R311 HydrophobicContact CB-CB 4.18Å; K309-R311 PolarHBondContact O-N 3.2Å |
| 310 | R | 88.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 46.6 | -175.7 | -63.5 | -69.3 | -178.1 | -152.7 | -0.2 | 112.1 | L260 V263 R264 N306 | L260-R310 CarbonylContact C-O 3.5Å; L260-R310 VanDerWaalsContact C-O 3.3Å; L260-R310 WeakPolarHBondContact CA-O 3.36Å; L260-R310 PolarHBondContact N-O 3.02Å; V263-R310 WeakPolarHBondContact O-CD 3.33Å; V263-R310 PolarHBondContact O-NE 3.15Å; V263-R310 PolarHBondContact O-NH1 2.96Å; R264-R310 PolarHBondContact O-NH1 3.39Å; N306-R310 WeakPolarHBondContact O-CA 3.44Å; N306-R310 PolarHBondContact O-N 3.42Å |
| 311 | R | 90.7 | Very high | 89.3 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.5 | -168.9 | -172.8 | 160.1 | 76.5 | -156.8 | 9.6 | 112.9 | T257 V258 E259 F305 N306 K309 | T257-R311 HydrophobicContact CG2-CG 3.72Å; V258-R311 WeakPolarHBondContact O-CA 3.44Å; V258-R311 WeakPolarHBondContact O-CG 3.48Å; E259-R311 VanDerWaalsContact CD-CD 3.4Å; E259-R311 WeakPolarHBondContact OE1-CD 3.47Å; E259-R311 IonicContact OE1-CZ 3.87Å; E259-R311 IonicContact OE1-NE 2.76Å; E259-R311 IonicContact OE1-NH1 3.04Å; E259-R311 PolarHBondContact OE1-NH1 2.93Å; F305-R311 CarbonylContact C-O 3.41Å; F305-R311 WeakPolarHBondContact CA-O 3.31Å; F305-R311 WeakPolarHBondContact CD2-O 3.14Å; N306-R311 PolarHBondContact N-O 2.89Å; N306-R311 PolarHBondContact O-N 3.36Å; K309-R311 VanDerWaalsContact C-N 3.3Å; K309-R311 HydrophobicContact CB-CB 4.18Å; K309-R311 PolarHBondContact O-N 3.2Å |
| 312 | L | 91.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.5 | 171.9 | -176.5 | 66.8 | 0 | 0 | 0 | 109.3 | T257 V258 L260 M266 L271 L280 A303 F305 | T257-L312 CarbonylContact C-O 3.58Å; T257-L312 WeakPolarHBondContact CA-O 3.46Å; V258-L312 HydrophobicContact CB-CB 4.4Å; V258-L312 PolarHBondContact N-O 3.04Å; V258-L312 PolarHBondContact O-N 3.49Å; L260-L312 HydrophobicContact CD1-CB 3.86Å; L260-L312 HydrophobicContact CD1-CD2 4.48Å; M266-L312 HydrophobicContact CE-CD1 3.88Å; M266-L312 HydrophobicContact SD-CD1 3.81Å; L271-L312 HydrophobicContact CD1-CD2 4.39Å; L271-L312 HydrophobicContact CD2-CD2 4.41Å; L280-L312 HydrophobicContact CD1-CD2 3.97Å; L280-L312 HydrophobicContact CD2-CD2 4.11Å; A303-L312 HydrophobicContact CB-CD1 4.18Å; F305-L312 HydrophobicContact CB-CD1 4.17Å; F305-L312 HydrophobicContact CD2-CB 4.25Å |
| 313 | T | 92.3 | Very high | 89.3 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.8 | 171.4 | -59.7 | 0 | 0 | 0 | 0 | 108.3 | E255 L256 A303 V304 | E255-T313 HydrophobicContact CG-CG2 3.88Å; L256-T313 CarbonylContact O-C 3.42Å; L256-T313 WeakPolarHBondContact O-CA 3.2Å; A303-T313 CarbonylContact C-O 3.59Å; A303-T313 WeakPolarHBondContact CA-O 3.44Å; V304-T313 PolarHBondContact N-O 3.15Å; V304-T313 PolarHBondContact O-N 2.86Å |
| 314 | L | 93.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133 | 173.2 | 171.8 | 69.2 | 0 | 0 | 0 | 108.8 | E255 L256 L271 V273 V278 F292 A301 A302 A303 | E255-L314 CarbonylContact C-O 3.59Å; E255-L314 WeakPolarHBondContact CA-O 3.34Å; L256-L314 HydrophobicContact CB-CB 4.21Å; L256-L314 HydrophobicContact CD2-CD2 4.22Å; L256-L314 PolarHBondContact N-O 3.1Å; L256-L314 PolarHBondContact O-N 3.11Å; L271-L314 HydrophobicContact CD2-CD1 4.36Å; V273-L314 HydrophobicContact CG2-CD1 3.98Å; V273-L314 HydrophobicContact CG2-CD2 3.88Å; V278-L314 HydrophobicContact CB-CD2 4.3Å; V278-L314 HydrophobicContact CG2-CD2 3.76Å; F292-L314 HydrophobicContact CE1-CD2 4.3Å; F292-L314 HydrophobicContact CZ-CD2 3.98Å; A301-L314 HydrophobicContact CB-CD1 4.36Å; A302-L314 CarbonylContact O-C 3.44Å; A302-L314 WeakPolarHBondContact O-CA 3.36Å; A303-L314 HydrophobicContact CB-CD1 4.08Å |
| 315 | T | 91.3 | Very high | 89 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.5 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 109 | V254 A301 A302 | V254-T315 WeakPolarHBondContact O-CA 3.31Å; A301-T315 CarbonylContact C-O 3.6Å; A301-T315 WeakPolarHBondContact CA-O 3.49Å; A302-T315 PolarHBondContact N-O 3.42Å; A302-T315 PolarHBondContact O-N 3.03Å |
| 316 | A | 92.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S253 V254 V296 A301 | S253-A316 CarbonylContact C-O 3.6Å; S253-A316 WeakPolarHBondContact CA-O 3.24Å; S253-A316 WeakPolarHBondContact CB-O 3.49Å; V254-A316 PolarHBondContact N-O 3.4Å; V254-A316 PolarHBondContact O-N 2.87Å; V296-A316 HydrophobicContact CB-CB 3.81Å; V296-A316 HydrophobicContact CG1-CB 4.1Å; V296-A316 HydrophobicContact CG2-CB 4.14Å; A301-A316 HydrophobicContact CB-CB 4.1Å |
| 317 | A | 89.9 | Confident | 89 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R252 V296 N297 T300 | R252-A317 WeakPolarHBondContact O-CA 3.21Å; V296-A317 CarbonylContact C-O 3.3Å; V296-A317 VanDerWaalsContact CA-O 3.28Å; V296-A317 WeakPolarHBondContact CA-O 3.5Å; N297-A317 PolarHBondContact N-O 3.49Å; T300-A317 HydrophobicContact CG2-CB 4.19Å; T300-A317 VanDerWaalsContact OG1-CB 3.29Å; T300-A317 WeakPolarHBondContact OG1-CB 3.36Å; T300-A317 PolarHBondContact OG1-N 2.95Å |
| 318 | V | 89.2 | Confident | 89.3 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 140.6 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | P251 R252 V254 K294 | P251-V318 HydrophobicContact CB-CG1 4.43Å; P251-V318 HydrophobicContact CB-CG2 4.34Å; P251-V318 HydrophobicContact CG-CG1 4.41Å; R252-V318 PolarHBondContact O-N 3.38Å; V254-V318 HydrophobicContact CG2-CG2 3.77Å; K294-V318 HydrophobicContact CB-CG1 3.98Å; K294-V318 HydrophobicContact CB-CG2 4.31Å; K294-V318 HydrophobicContact CD-CG1 4.16Å |
| 319 | L | 81.6 | Confident | 89.8 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 72% | 0.717 | 26% | 0.261 | S | S | * | . | trans | -78.4 | 0 | 173.1 | -75.9 | 170.6 | 0 | 0 | 0 | 112.5 | K275 T295 V296 N297 | K275-L319 HydrophobicContact CD-CD1 4.48Å; T295-L319 PolarHBondContact O-N 3.45Å; V296-L319 VanDerWaalsContact O-CD1 3.31Å; V296-L319 WeakPolarHBondContact O-CD1 3.48Å; N297-L319 HydrophobicContact CB-CD2 3.77Å; N297-L319 HydrophobicContact CB-CG 4.02Å |
Retrieved 319 of 319 residues in 563.3 ms
(Link to these results)