| 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 | 84.3 | Confident | 92.3 | Very high | 153 Ų | 153 | 61.5 Ų | 61.5 | 75% | 0.754 | 33% | 0.33 | S | S | * | . | 0 | 138.9 | 0 | -177.2 | 176.5 | -155.5 | 0 | 0 | 108.6 | I3 T120 Q121 T122 | M1-I3 HydrophobicContact CG-CG1 4.42Å; M1-T120 HydrophobicContact CE-CG2 4.19Å; M1-Q121 CarbonylContact C-O 3.51Å; M1-Q121 WeakPolarHBondContact CA-O 3.47Å; M1-T122 HydrophobicContact CB-CG2 4.07Å; M1-T122 HydrophobicContact CE-CG2 4.13Å; M1-T122 HydrophobicContact CG-CG2 3.76Å; M1-T122 HydrophobicContact SD-CG2 4.28Å | |||
| 2 | F | 88.8 | Confident | 92.4 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.4 | 174.6 | -175.8 | -100.9 | 0 | 0 | 0 | 109 | C4 Q121 A148 | F2-C4 HydrophobicContact CD1-CB 4.34Å; F2-C4 HydrophobicContact CE1-CB 3.8Å; F2-Q121 HydrophobicContact CB-CB 4.44Å; F2-Q121 PolarHBondContact N-O 3.4Å; F2-Q121 PolarHBondContact O-N 2.89Å; F2-A148 HydrophobicContact CB-CB 3.87Å; F2-A148 HydrophobicContact CD1-CB 3.72Å; F2-A148 HydrophobicContact CD2-CB 4.3Å; F2-A148 HydrophobicContact CE1-CB 4.31Å; F2-A148 HydrophobicContact CG-CB 3.71Å |
| 3 | I | 91.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 53.7 Ų | 53.7 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.7 | -179.1 | -58 | -179.6 | 0 | 0 | 0 | 108.1 | M1 L118 T120 | M1-I3 HydrophobicContact CG-CG1 4.42Å; I3-L118 HydrophobicContact CG2-CD1 3.58Å; I3-T120 HydrophobicContact CG1-CG2 4.19Å; I3-T120 HydrophobicContact CG2-CG2 4.42Å |
| 4 | C | 91.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.6 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | F2 M119 C152 | F2-C4 HydrophobicContact CD1-CB 4.34Å; F2-C4 HydrophobicContact CE1-CB 3.8Å; C4-M119 HydrophobicContact CB-CB 4.41Å; C4-M119 HydrophobicContact CB-CE 3.85Å; C4-M119 PolarHBondContact N-O 3.16Å; C4-M119 WeakPolarHBondContact O-CA 3.43Å; C4-M119 WeakPolarHBondContact O-CB 3.46Å; C4-M119 PolarHBondContact O-N 3.16Å; C4-M119 VanDerWaalsContact O-O 3.14Å; C4-M119 WeakPolarHBondContact SG-CE 3.48Å; C4-C152 HydrophobicContact CB-CB 4.38Å; C4-C152 WeakPolarHBondContact CB-SG 3.41Å; C4-C152 WeakPolarHBondContact SG-CB 3.43Å; C4-C152 CovalentContact SG-SG 2.03Å; C4-C152 PolarHBondContact SG-SG 3.44Å |
| 5 | V | 93.1 | Very high | 92.7 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.418 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | 178.9 | -178 | 0 | 0 | 0 | 0 | 108.2 | K116 T117 L118 | V5-K116 HydrophobicContact CG1-CB 4.15Å; V5-K116 HydrophobicContact CG1-CD 4.2Å; V5-T117 WeakPolarHBondContact CA-O 3.36Å; V5-L118 HydrophobicContact CG2-CD1 3.95Å |
| 6 | S | 91.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.9 | 172 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | H8 V13 K116 T117 | S6-H8 PolarHBondContact O-N 2.76Å; S6-H8 PolarHBondContact OG-CD2 2.78Å; S6-H8 PolarHBondContact OG-N 2.84Å; S6-V13 VanDerWaalsContact OG-CG2 3.29Å; S6-V13 WeakPolarHBondContact OG-CG2 3.49Å; S6-K116 WeakPolarHBondContact O-CA 3.3Å; S6-K116 VanDerWaalsContact O-CB 3.28Å; S6-K116 WeakPolarHBondContact O-CB 3.43Å; S6-T117 PolarHBondContact N-O 3.38Å; S6-T117 PolarHBondContact O-N 3.43Å; S6-T117 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 93.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 65% | 0.65 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -78.4 | 12.3 | 175.3 | -56 | 0 | 0 | 0 | 0 | 113.8 | ||
| 8 | H | 94.2 | Very high | 92.5 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -119.6 | 155.1 | -179.4 | -47.6 | -89.3 | 0 | 0 | 0 | 111 | S6 T12 V13 S115 K116 T117 E156 I159 K163 | S6-H8 PolarHBondContact O-N 2.76Å; S6-H8 PolarHBondContact OG-CD2 2.78Å; S6-H8 PolarHBondContact OG-N 2.84Å; H8-T12 HydrophobicContact CB-CG2 4.08Å; H8-V13 HydrophobicContact CB-CG2 4.11Å; H8-S115 CarbonylContact C-O 3.42Å; H8-K116 CarbonylContact O-C 3.5Å; H8-T117 PolarHBondContact O-N 2.74Å; H8-T117 VanDerWaalsContact O-N 3.1Å; H8-T117 PolarHBondContact O-OG1 3.12Å; H8-E156 IonicContact CD2-OE2 3.25Å; H8-E156 PolarHBondContact CD2-OE2 3.23Å; H8-E156 IonicContact CE1-OE2 3.01Å; H8-E156 IonicContact NE2-OE1 2.74Å; H8-E156 PolarHBondContact NE2-OE1 2.96Å; H8-E156 IonicContact NE2-OE2 2.94Å; H8-E156 PolarHBondContact NE2-OE2 2.96Å; H8-I159 HydrophobicContact CB-CD1 4.37Å; H8-K163 PolarHBondContact CE1-NZ 3.25Å; H8-K163 VanDerWaalsContact CE1-NZ 3.31Å; H8-K163 PolarHBondContact ND1-NZ 2.98Å |
| 9 | D | 95.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | trans | -61.2 | 159.9 | 176.6 | 61.9 | 85.6 | 0 | 0 | 0 | 112 | E11 T12 V13 S115 T117 | D9-E11 VanDerWaalsContact C-N 3.31Å; D9-E11 PolarHBondContact O-N 2.71Å; D9-E11 WeakPolarHBondContact OD1-CB 3.06Å; D9-E11 PolarHBondContact OD1-N 3.19Å; D9-T12 VanDerWaalsContact CG-OG1 3.29Å; D9-T12 PolarHBondContact O-N 2.97Å; D9-T12 WeakPolarHBondContact OD1-CB 3.5Å; D9-T12 PolarHBondContact OD1-N 2.96Å; D9-T12 PolarHBondContact OD1-OG1 3.16Å; D9-T12 PolarHBondContact OD2-OG1 3.19Å; D9-V13 WeakPolarHBondContact O-CG2 3.38Å; D9-V13 PolarHBondContact O-N 3.2Å; D9-S115 PolarHBondContact N-O 3.4Å; D9-S115 VanDerWaalsContact N-O 3.1Å; D9-T117 PolarHBondContact O-OG1 3.16Å | ||
| 10 | W | 96.3 | Very high | 92 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | -174.1 | 174.5 | 88.7 | 0 | 0 | 0 | 112 | T12 V13 A14 V79 R84 M86 Y107 P109 T117 | W10-T12 VanDerWaalsContact C-N 3.33Å; W10-T12 PolarHBondContact O-N 3.21Å; W10-V13 PolarHBondContact O-N 2.95Å; W10-A14 HydrophobicContact CD2-CB 4.38Å; W10-A14 HydrophobicContact CH2-CB 4.38Å; W10-A14 HydrophobicContact CZ2-CB 4.17Å; W10-A14 WeakPolarHBondContact O-CB 3.16Å; W10-A14 PolarHBondContact O-N 3.33Å; W10-V79 HydrophobicContact CH2-CG1 3.89Å; W10-V79 HydrophobicContact CZ2-CG1 4.13Å; W10-R84 HydrophobicContact CD2-CB 3.82Å; W10-R84 HydrophobicContact CD2-CG 4.38Å; W10-R84 HydrophobicContact CE3-CB 3.83Å; W10-R84 HydrophobicContact CE3-CG 3.87Å; W10-R84 HydrophobicContact CG-CB 4.2Å; W10-R84 HydrophobicContact CZ3-CB 4.27Å; W10-R84 HydrophobicContact CZ3-CG 4.16Å; W10-R84 PolarHBondContact NE1-O 2.98Å; W10-M86 HydrophobicContact CZ2-CB 3.92Å; W10-Y107 PolarHBondContact NE1-O 3.32Å; W10-P109 HydrophobicContact CB-CG 3.98Å; W10-P109 HydrophobicContact CG-CG 4.35Å; W10-T117 WeakPolarHBondContact CA-OG1 3.49Å; W10-T117 PolarHBondContact N-OG1 2.98Å; W10-T117 VanDerWaalsContact N-OG1 3.17Å |
| 11 | E | 94.9 | Very high | 91.8 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.2 | -64 | 78.1 | 178.8 | 0 | 0 | 111.2 | D9 R15 R84 | D9-E11 VanDerWaalsContact C-N 3.31Å; D9-E11 PolarHBondContact O-N 2.71Å; D9-E11 WeakPolarHBondContact OD1-CB 3.06Å; D9-E11 PolarHBondContact OD1-N 3.19Å; E11-R15 WeakPolarHBondContact O-CB 3.35Å; E11-R15 VanDerWaalsContact O-CG 3.31Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.26Å; E11-R15 VanDerWaalsContact O-N 3.14Å; E11-R15 PolarHBondContact O-NE 3.12Å; E11-R84 WeakPolarHBondContact OE1-CD 3.19Å |
| 12 | T | 93.9 | Very high | 91.9 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -46.3 | 174.2 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | H8 D9 W10 R15 A16 I159 | H8-T12 HydrophobicContact CB-CG2 4.08Å; D9-T12 VanDerWaalsContact CG-OG1 3.29Å; D9-T12 PolarHBondContact O-N 2.97Å; D9-T12 WeakPolarHBondContact OD1-CB 3.5Å; D9-T12 PolarHBondContact OD1-N 2.96Å; D9-T12 PolarHBondContact OD1-OG1 3.16Å; D9-T12 PolarHBondContact OD2-OG1 3.19Å; W10-T12 VanDerWaalsContact C-N 3.33Å; W10-T12 PolarHBondContact O-N 3.21Å; T12-R15 PolarHBondContact O-N 3.2Å; T12-A16 WeakPolarHBondContact O-CB 3.39Å; T12-A16 PolarHBondContact O-N 3.4Å; T12-I159 HydrophobicContact CG2-CG1 4.22Å; T12-I159 HydrophobicContact CG2-CG2 3.75Å |
| 13 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 179.2 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | S6 H8 D9 W10 A16 A17 Y107 T117 M119 M155 I159 | S6-V13 VanDerWaalsContact OG-CG2 3.29Å; S6-V13 WeakPolarHBondContact OG-CG2 3.49Å; H8-V13 HydrophobicContact CB-CG2 4.11Å; D9-V13 WeakPolarHBondContact O-CG2 3.38Å; D9-V13 PolarHBondContact O-N 3.2Å; W10-V13 PolarHBondContact O-N 2.95Å; V13-A16 PolarHBondContact O-N 3.31Å; V13-A17 WeakPolarHBondContact O-CB 3.26Å; V13-A17 PolarHBondContact O-N 3.38Å; V13-Y107 HydrophobicContact CG1-CD1 3.61Å; V13-Y107 HydrophobicContact CG1-CE1 4Å; V13-T117 HydrophobicContact CB-CG2 4.13Å; V13-T117 HydrophobicContact CG1-CG2 4.04Å; V13-T117 HydrophobicContact CG2-CG2 4.3Å; V13-T117 WeakPolarHBondContact CG2-OG1 3.08Å; V13-M119 HydrophobicContact CG1-SD 3.99Å; V13-M155 HydrophobicContact CG1-CG 4.27Å; V13-I159 HydrophobicContact CG2-CD1 3.95Å |
| 14 | A | 94.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W10 A17 W18 M86 | W10-A14 HydrophobicContact CD2-CB 4.38Å; W10-A14 HydrophobicContact CH2-CB 4.38Å; W10-A14 HydrophobicContact CZ2-CB 4.17Å; W10-A14 WeakPolarHBondContact O-CB 3.16Å; W10-A14 PolarHBondContact O-N 3.33Å; A14-A17 PolarHBondContact O-N 2.82Å; A14-W18 PolarHBondContact O-N 2.9Å; A14-W18 VanDerWaalsContact O-N 3.15Å; A14-M86 HydrophobicContact CB-SD 3.87Å |
| 15 | R | 92.9 | Very high | 91.1 | Very high | 147 Ų | 147 | 48.6 Ų | 48.6 | 56% | 0.555 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 173.4 | -79.2 | -178.9 | -73.6 | 174.1 | -2.6 | 112 | E11 T12 W18 R19 | E11-R15 WeakPolarHBondContact O-CB 3.35Å; E11-R15 VanDerWaalsContact O-CG 3.31Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.26Å; E11-R15 VanDerWaalsContact O-N 3.14Å; E11-R15 PolarHBondContact O-NE 3.12Å; T12-R15 PolarHBondContact O-N 3.2Å; R15-W18 PolarHBondContact O-N 2.83Å; R15-R19 PolarHBondContact O-N 2.96Å |
| 16 | A | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T12 V13 W18 R19 K20 M155 V158 I159 I162 | T12-A16 WeakPolarHBondContact O-CB 3.39Å; T12-A16 PolarHBondContact O-N 3.4Å; V13-A16 PolarHBondContact O-N 3.31Å; A16-W18 VanDerWaalsContact C-N 3.29Å; A16-W18 PolarHBondContact O-N 2.95Å; A16-R19 CarbonylContact O-C 3.51Å; A16-R19 VanDerWaalsContact O-C 3.27Å; A16-R19 PolarHBondContact O-N 3.41Å; A16-R19 VanDerWaalsContact O-N 3.11Å; A16-K20 WeakPolarHBondContact O-CA 3.45Å; A16-K20 PolarHBondContact O-N 3.06Å; A16-M155 HydrophobicContact CB-SD 3.66Å; A16-V158 HydrophobicContact CB-CB 4.37Å; A16-V158 HydrophobicContact CB-CG1 3.86Å; A16-I159 HydrophobicContact CB-CD1 4.22Å; A16-I159 HydrophobicContact CB-CG1 3.36Å; A16-I162 HydrophobicContact CB-CD1 4.03Å |
| 17 | A | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 A14 K20 M86 M155 | V13-A17 WeakPolarHBondContact O-CB 3.26Å; V13-A17 PolarHBondContact O-N 3.38Å; A14-A17 PolarHBondContact O-N 2.82Å; A17-K20 VanDerWaalsContact O-CB 3.31Å; A17-K20 WeakPolarHBondContact O-CB 3.02Å; A17-K20 PolarHBondContact O-N 2.8Å; A17-M86 HydrophobicContact CB-CE 4.04Å; A17-M86 HydrophobicContact CB-SD 4.04Å; A17-M155 HydrophobicContact CB-CE 3.76Å; A17-M155 HydrophobicContact CB-SD 4.11Å; A17-M155 PolarHBondContact N-SD 2.81Å; A17-M155 VanDerWaalsContact N-SD 3.43Å |
| 18 | W | 88 | Confident | 90.1 | Very high | 53 Ų | 53 | 47.6 Ų | 47.6 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 172.6 | -86.6 | 111.3 | 0 | 0 | 0 | 113.2 | A14 R15 A16 K20 L45 T47 R49 S77 V79 M86 | A14-W18 PolarHBondContact O-N 2.9Å; A14-W18 VanDerWaalsContact O-N 3.15Å; R15-W18 PolarHBondContact O-N 2.83Å; A16-W18 VanDerWaalsContact C-N 3.29Å; A16-W18 PolarHBondContact O-N 2.95Å; W18-K20 VanDerWaalsContact C-N 3.31Å; W18-K20 PolarHBondContact O-N 2.9Å; W18-L45 HydrophobicContact CZ2-CD2 4.49Å; W18-T47 HydrophobicContact CH2-CG2 3.6Å; W18-T47 HydrophobicContact CZ3-CG2 3.99Å; W18-R49 PolarHBondContact O-NH1 3.27Å; W18-S77 WeakPolarHBondContact CH2-OG 3.45Å; W18-S77 WeakPolarHBondContact CZ2-OG 3.32Å; W18-V79 HydrophobicContact CZ2-CG2 4.16Å; W18-M86 HydrophobicContact CD2-CE 4.37Å; W18-M86 HydrophobicContact CG-CE 4.34Å; W18-M86 HydrophobicContact CZ2-CE 4.3Å |
| 19 | R | 88.6 | Confident | 89.9 | Confident | 121 Ų | 121 | 47.6 Ų | 47.6 | 46% | 0.457 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 19.7 | 179.8 | -62.8 | -178.1 | 64.6 | -172 | -5.4 | 113.1 | R15 A16 Y21 V158 I162 E165 | R15-R19 PolarHBondContact O-N 2.96Å; A16-R19 CarbonylContact O-C 3.51Å; A16-R19 VanDerWaalsContact O-C 3.27Å; A16-R19 PolarHBondContact O-N 3.41Å; A16-R19 VanDerWaalsContact O-N 3.11Å; R19-Y21 PolarHBondContact O-N 3.3Å; R19-V158 HydrophobicContact CB-CG1 4.24Å; R19-I162 HydrophobicContact CB-CD1 4.41Å; R19-E165 IonicContact CZ-OE1 3.48Å; R19-E165 IonicContact CZ-OE2 2.9Å; R19-E165 VanDerWaalsContact CZ-OE2 3.26Å; R19-E165 IonicContact NH1-OE2 2.68Å; R19-E165 PolarHBondContact NH1-OE2 2.76Å; R19-E165 VanDerWaalsContact NH2-CD 3.28Å; R19-E165 IonicContact NH2-OE1 2.78Å; R19-E165 PolarHBondContact NH2-OE1 2.85Å; R19-E165 IonicContact NH2-OE2 3.54Å; R19-E165 PolarHBondContact NH2-OE2 2.84Å |
| 20 | K | 86.8 | Confident | 89.7 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | trans | -58.7 | -25.3 | -171.8 | -173.4 | 171.9 | -176.7 | 173.4 | 0 | 113.3 | A16 A17 W18 N23 M155 | A16-K20 WeakPolarHBondContact O-CA 3.45Å; A16-K20 PolarHBondContact O-N 3.06Å; A17-K20 VanDerWaalsContact O-CB 3.31Å; A17-K20 WeakPolarHBondContact O-CB 3.02Å; A17-K20 PolarHBondContact O-N 2.8Å; W18-K20 VanDerWaalsContact C-N 3.31Å; W18-K20 PolarHBondContact O-N 2.9Å; K20-N23 WeakPolarHBondContact O-CB 3.21Å; K20-N23 PolarHBondContact O-ND2 3.09Å; K20-M155 HydrophobicContact CD-CE 4.07Å | ||
| 21 | Y | 87.5 | Confident | 89.5 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | trans | -127.9 | 148.2 | -178.3 | -55.9 | -79.1 | 0 | 0 | 0 | 111.2 | R19 K26 V29 I32 | R19-Y21 PolarHBondContact O-N 3.3Å; Y21-K26 HydrophobicContact CD1-CB 4.49Å; Y21-K26 HydrophobicContact CE1-CB 3.74Å; Y21-K26 HydrophobicContact CE1-CD 3.92Å; Y21-K26 HydrophobicContact CE1-CG 4.38Å; Y21-K26 WeakPolarHBondContact OH-CD 3.5Å; Y21-V29 HydrophobicContact CD1-CB 3.73Å; Y21-V29 HydrophobicContact CD1-CG1 3.82Å; Y21-V29 HydrophobicContact CD1-CG2 4.02Å; Y21-V29 HydrophobicContact CD2-CG1 4.31Å; Y21-V29 HydrophobicContact CE1-CB 3.75Å; Y21-V29 HydrophobicContact CE1-CG1 4.09Å; Y21-V29 HydrophobicContact CE1-CG2 3.47Å; Y21-V29 VanDerWaalsContact CE1-CG2 3.47Å; Y21-V29 HydrophobicContact CG-CB 4.36Å; Y21-V29 HydrophobicContact CG-CG1 3.93Å; Y21-I32 HydrophobicContact CD2-CD1 3.25Å; Y21-I32 HydrophobicContact CE2-CD1 4.1Å; Y21-I32 HydrophobicContact CG-CD1 3.65Å | ||
| 22 | P | 86.7 | Confident | 89.4 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 79% | 0.792 | 25% | 0.249 | S | C | * | . | S | Bend | cis | -71.4 | 146.4 | -1.9 | 30.1 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 23 | N | 85.4 | Confident | 89.5 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | trans | -139.8 | 146.9 | 169.5 | 78 | 63.1 | 0 | 0 | 0 | 110.5 | K20 L25 K26 W157 V158 | K20-N23 WeakPolarHBondContact O-CB 3.21Å; K20-N23 PolarHBondContact O-ND2 3.09Å; N23-L25 PolarHBondContact O-N 2.86Å; N23-L25 WeakPolarHBondContact OD1-CA 3.42Å; N23-L25 WeakPolarHBondContact OD1-CB 3.32Å; N23-L25 PolarHBondContact OD1-N 2.87Å; N23-K26 CarbonylContact O-C 3.46Å; N23-K26 PolarHBondContact O-N 2.82Å; N23-K26 PolarHBondContact OD1-N 3.04Å; N23-W157 HydrophobicContact CB-CE3 3.95Å; N23-W157 HydrophobicContact CB-CZ3 3.82Å; N23-V158 HydrophobicContact CB-CG2 4.47Å | ||
| 24 | P | 84.2 | Confident | 89.6 | Confident | 82 Ų | 82 | 56 Ų | 56 | 53% | 0.532 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.1 | -175.9 | 27.8 | -35.2 | 0 | 0 | 0 | 113.8 | W157 | P24-W157 VanDerWaalsContact CD-CZ2 3.47Å; P24-W157 HydrophobicContact CG-CD2 4.32Å; P24-W157 HydrophobicContact CG-CH2 4.14Å; P24-W157 HydrophobicContact CG-CZ2 3.7Å |
| 25 | L | 84.4 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -19.2 | -178.5 | -64.5 | 176.4 | 0 | 0 | 0 | 113 | N23 P27 K150 Q153 A154 W157 | N23-L25 PolarHBondContact O-N 2.86Å; N23-L25 WeakPolarHBondContact OD1-CA 3.42Å; N23-L25 WeakPolarHBondContact OD1-CB 3.32Å; N23-L25 PolarHBondContact OD1-N 2.87Å; L25-P27 VanDerWaalsContact C-CD 3.46Å; L25-K150 WeakPolarHBondContact O-CE 3.43Å; L25-K150 PolarHBondContact O-NZ 2.77Å; L25-K150 VanDerWaalsContact O-NZ 3.09Å; L25-Q153 HydrophobicContact CD1-CB 3.82Å; L25-A154 HydrophobicContact CB-CB 4.31Å; L25-A154 HydrophobicContact CD1-CB 4.26Å; L25-W157 HydrophobicContact CD1-CB 4.49Å |
| 26 | K | 84.5 | Confident | 89.9 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.078 | 31% | 0.314 | C | S | . | . | trans | -128.6 | 64.3 | 176.7 | -68.6 | -158 | 172.8 | -160.7 | 0 | 111.2 | Y21 N23 E28 V29 N147 | Y21-K26 HydrophobicContact CD1-CB 4.49Å; Y21-K26 HydrophobicContact CE1-CB 3.74Å; Y21-K26 HydrophobicContact CE1-CD 3.92Å; Y21-K26 HydrophobicContact CE1-CG 4.38Å; Y21-K26 WeakPolarHBondContact OH-CD 3.5Å; N23-K26 CarbonylContact O-C 3.46Å; N23-K26 PolarHBondContact O-N 2.82Å; N23-K26 PolarHBondContact OD1-N 3.04Å; K26-E28 VanDerWaalsContact C-OE2 3.23Å; K26-E28 WeakPolarHBondContact CA-OE2 3.36Å; K26-E28 PolarHBondContact O-N 3.03Å; K26-E28 VanDerWaalsContact O-N 3.17Å; K26-V29 PolarHBondContact O-N 2.78Å; K26-N147 PolarHBondContact NZ-O 3.28Å | ||
| 27 | P | 86.5 | Confident | 90 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.9 | 178.9 | 30.7 | -37.2 | 0 | 0 | 0 | 112.9 | L25 V29 | L25-P27 VanDerWaalsContact C-CD 3.46Å; P27-V29 PolarHBondContact O-N 2.97Å |
| 28 | E | 87.2 | Confident | 90.3 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.1 | 179.3 | -52.3 | 81.9 | -175.3 | 0 | 0 | 111.7 | K26 T30 T53 E54 W55 | K26-E28 VanDerWaalsContact C-OE2 3.23Å; K26-E28 WeakPolarHBondContact CA-OE2 3.36Å; K26-E28 PolarHBondContact O-N 3.03Å; K26-E28 VanDerWaalsContact O-N 3.17Å; E28-T30 PolarHBondContact O-N 3.41Å; E28-T53 CarbonylContact O-C 3.54Å; E28-T53 WeakPolarHBondContact O-CA 3.39Å; E28-E54 PolarHBondContact O-N 2.86Å; E28-W55 HydrophobicContact CG-CE3 4.5Å |
| 29 | V | 89.7 | Confident | 90.7 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.8 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | Y21 K26 P27 I32 I51 T53 | Y21-V29 HydrophobicContact CD1-CB 3.73Å; Y21-V29 HydrophobicContact CD1-CG1 3.82Å; Y21-V29 HydrophobicContact CD1-CG2 4.02Å; Y21-V29 HydrophobicContact CD2-CG1 4.31Å; Y21-V29 HydrophobicContact CE1-CB 3.75Å; Y21-V29 HydrophobicContact CE1-CG1 4.09Å; Y21-V29 HydrophobicContact CE1-CG2 3.47Å; Y21-V29 VanDerWaalsContact CE1-CG2 3.47Å; Y21-V29 HydrophobicContact CG-CB 4.36Å; Y21-V29 HydrophobicContact CG-CG1 3.93Å; K26-V29 PolarHBondContact O-N 2.78Å; P27-V29 PolarHBondContact O-N 2.97Å; V29-I32 HydrophobicContact CG1-CD1 3.96Å; V29-I32 HydrophobicContact CG1-CG1 3.92Å; V29-I51 HydrophobicContact CG1-CG2 3.91Å; V29-T53 HydrophobicContact CG2-CG2 3.98Å |
| 30 | T | 91.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -18 | -172.1 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | E28 R52 E54 | E28-T30 PolarHBondContact O-N 3.41Å; T30-R52 PolarHBondContact N-O 3.17Å; T30-R52 PolarHBondContact OG1-NH1 2.79Å; T30-R52 PolarHBondContact OG1-O 3.29Å; T30-E54 HydrophobicContact CG2-CB 4.12Å; T30-E54 HydrophobicContact CG2-CG 3.93Å |
| 31 | G | 92.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 24% | 0.237 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 148.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R52 | G31-R52 PolarHBondContact N-O 3.19Å; G31-R52 PolarHBondContact O-N 3.28Å |
| 32 | I | 93.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 125.9 | 176.1 | -58 | -175.8 | 0 | 0 | 0 | 108.4 | Y21 V29 R49 L50 I51 | Y21-I32 HydrophobicContact CD2-CD1 3.25Å; Y21-I32 HydrophobicContact CE2-CD1 4.1Å; Y21-I32 HydrophobicContact CG-CD1 3.65Å; V29-I32 HydrophobicContact CG1-CD1 3.96Å; V29-I32 HydrophobicContact CG1-CG1 3.92Å; I32-R49 HydrophobicContact CG2-CB 4.27Å; I32-R49 HydrophobicContact CG2-CG 4.49Å; I32-L50 WeakPolarHBondContact CA-O 3.49Å; I32-I51 HydrophobicContact CG1-CG1 4.4Å; I32-I51 HydrophobicContact CG1-CG2 4.35Å; I32-I51 HydrophobicContact CG2-CG1 4.5Å |
| 33 | D | 95.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.5 | 176.2 | -69.1 | -64.5 | 0 | 0 | 0 | 110.3 | R49 L50 | D33-R49 CarbonylContact O-C 3.59Å; D33-R49 WeakPolarHBondContact O-CA 3.23Å; D33-L50 PolarHBondContact N-O 2.9Å; D33-L50 PolarHBondContact O-N 2.92Å |
| 34 | I | 95.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 75.3 Ų | 75.3 | 46% | 0.462 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.4 | 172.5 | -64.6 | 161.9 | 0 | 0 | 0 | 107.3 | R37 T47 R49 | I34-R37 HydrophobicContact CG2-CB 4.02Å; I34-T47 HydrophobicContact CG1-CG2 4.44Å; I34-T47 HydrophobicContact CG2-CG2 4.05Å; I34-R49 HydrophobicContact CG1-CG 4.23Å |
| 35 | V | 96.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 73.6 Ų | 73.6 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -42.4 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | T48 L50 | V35-T48 HydrophobicContact CB-CG2 4.24Å; V35-T48 PolarHBondContact N-O 2.73Å; V35-L50 HydrophobicContact CG2-CB 3.81Å |
| 36 | D | 97.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 73.8 Ų | 73.8 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.2 | 179.1 | 179 | 53.3 | 0 | 0 | 0 | 110.1 | T47 T48 | D36-T47 CarbonylContact O-C 3.6Å; D36-T47 WeakPolarHBondContact O-CA 3.41Å; D36-T48 PolarHBondContact N-O 2.83Å; D36-T48 PolarHBondContact O-N 3.43Å |
| 37 | R | 97.2 | Very high | 94.6 | Very high | 112 Ų | 112 | 72.9 Ų | 72.9 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 127.1 | 174.2 | 175.5 | 171.7 | -74.3 | 166.5 | -3.7 | 110 | I34 L45 R46 T47 | I34-R37 HydrophobicContact CG2-CB 4.02Å; R37-L45 HydrophobicContact CG-CD1 3.75Å; R37-R46 WeakPolarHBondContact CA-O 3.49Å; R37-T47 HydrophobicContact CB-CG2 4.39Å; R37-T47 WeakPolarHBondContact CG-OG1 3.41Å; R37-T47 PolarHBondContact NE-OG1 3.34Å |
| 38 | S | 97.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 69.9 Ų | 69.9 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.2 | 179.7 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | R46 | S38-R46 PolarHBondContact N-O 2.81Å; S38-R46 PolarHBondContact O-N 2.81Å; S38-R46 VanDerWaalsContact O-O 3.13Å |
| 39 | V | 97.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.2 | 167.6 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | L45 | V39-L45 HydrophobicContact CG2-CB 4.47Å; V39-L45 HydrophobicContact CG2-CD1 3.9Å |
| 40 | G | 92.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | trans | -72.7 | 170 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D42 K43 I44 | G40-D42 WeakPolarHBondContact CA-OD1 3.18Å; G40-D42 PolarHBondContact O-N 3.09Å; G40-K43 WeakPolarHBondContact O-CA 3.49Å; G40-K43 PolarHBondContact O-N 3.16Å; G40-I44 PolarHBondContact N-O 3.26Å; G40-I44 VanDerWaalsContact N-O 3.08Å | ||
| 41 | E | 95.3 | Very high | 96 | Very high | 204 Ų | 204 | 67.3 Ų | 67.3 | 95% | 0.953 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.8 | 172.4 | -65.2 | -178.1 | 173.9 | 0 | 0 | 112.3 | K43 | E41-K43 PolarHBondContact O-N 3.41Š|
| 42 | D | 95.7 | Very high | 96 | Very high | 77 Ų | 77 | 70 Ų | 70 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 0.8 | 172 | 61 | -1 | 0 | 0 | 0 | 114.2 | G40 I44 R46 | G40-D42 WeakPolarHBondContact CA-OD1 3.18Å; G40-D42 PolarHBondContact O-N 3.09Å; D42-I44 HydrophobicContact CB-CD1 4.5Å; D42-I44 HydrophobicContact CB-CG1 4.31Å; D42-I44 PolarHBondContact O-N 2.97Å; D42-I44 PolarHBondContact OD1-N 3.3Å; D42-I44 VanDerWaalsContact OD1-N 3.13Å; D42-R46 IonicContact OD1-CZ 2.62Å; D42-R46 IonicContact OD1-NH1 3.26Å; D42-R46 PolarHBondContact OD1-NH1 2.81Å; D42-R46 IonicContact OD2-CZ 2.73Å; D42-R46 VanDerWaalsContact OD2-CZ 3.29Å; D42-R46 IonicContact OD2-NH1 2.79Å; D42-R46 PolarHBondContact OD2-NH1 2.86Å; D42-R46 IonicContact OD2-NH2 3.93Å; D42-R46 PolarHBondContact OD2-NH2 2.76Å |
| 43 | K | 95.6 | Very high | 95.8 | Very high | 158 Ų | 158 | 68 Ų | 68 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | trans | 62.6 | 17.5 | -176.8 | -52.4 | 177.6 | -179.5 | 176.9 | 0 | 113.9 | G40 E41 | G40-K43 WeakPolarHBondContact O-CA 3.49Å; G40-K43 PolarHBondContact O-N 3.16Å; E41-K43 PolarHBondContact O-N 3.41Å | ||
| 44 | I | 97.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | trans | -87 | 125.7 | 174.9 | -61.3 | -177.9 | 0 | 0 | 0 | 108.5 | G40 D42 R46 E78 D80 | G40-I44 PolarHBondContact N-O 3.26Å; G40-I44 VanDerWaalsContact N-O 3.08Å; D42-I44 HydrophobicContact CB-CD1 4.5Å; D42-I44 HydrophobicContact CB-CG1 4.31Å; D42-I44 PolarHBondContact O-N 2.97Å; D42-I44 PolarHBondContact OD1-N 3.3Å; D42-I44 VanDerWaalsContact OD1-N 3.13Å; I44-R46 HydrophobicContact CG2-CG 4.29Å; I44-R46 PolarHBondContact O-N 3.14Å; I44-E78 HydrophobicContact CG2-CB 3.96Å; I44-D80 HydrophobicContact CD1-CB 4.35Å; I44-D80 HydrophobicContact CG1-CB 4.11Å | ||
| 45 | L | 97.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115.1 | 172.3 | 172.1 | 65.9 | 0 | 0 | 0 | 108.8 | W18 R37 V39 E78 V79 | W18-L45 HydrophobicContact CZ2-CD2 4.49Å; R37-L45 HydrophobicContact CG-CD1 3.75Å; V39-L45 HydrophobicContact CG2-CB 4.47Å; V39-L45 HydrophobicContact CG2-CD1 3.9Å; L45-E78 CarbonylContact O-C 3.49Å; L45-E78 WeakPolarHBondContact O-CA 3.4Å; L45-V79 HydrophobicContact CB-CB 4.25Å; L45-V79 PolarHBondContact N-O 2.84Å; L45-V79 PolarHBondContact O-N 2.92Å |
| 46 | R | 97.8 | Very high | 94 | Very high | 58 Ų | 58 | 72.8 Ų | 72.8 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.4 | 174.4 | -64.8 | 179.4 | 172.8 | 87 | 1.1 | 109.1 | R37 S38 D42 I44 Y76 S77 E78 | R37-R46 WeakPolarHBondContact CA-O 3.49Å; S38-R46 PolarHBondContact N-O 2.81Å; S38-R46 PolarHBondContact O-N 2.81Å; S38-R46 VanDerWaalsContact O-O 3.13Å; D42-R46 IonicContact OD1-CZ 2.62Å; D42-R46 IonicContact OD1-NH1 3.26Å; D42-R46 PolarHBondContact OD1-NH1 2.81Å; D42-R46 IonicContact OD2-CZ 2.73Å; D42-R46 VanDerWaalsContact OD2-CZ 3.29Å; D42-R46 IonicContact OD2-NH1 2.79Å; D42-R46 PolarHBondContact OD2-NH1 2.86Å; D42-R46 IonicContact OD2-NH2 3.93Å; D42-R46 PolarHBondContact OD2-NH2 2.76Å; I44-R46 HydrophobicContact CG2-CG 4.29Å; I44-R46 PolarHBondContact O-N 3.14Å; R46-Y76 HydrophobicContact CB-CE2 4.27Å; R46-Y76 WeakPolarHBondContact CD-OH 3.47Å; R46-Y76 WeakPolarHBondContact CG-OH 3.21Å; R46-Y76 PolarHBondContact NE-OH 2.84Å; R46-S77 WeakPolarHBondContact CA-O 3.43Å; R46-E78 HydrophobicContact CG-CG 4.29Å; R46-E78 IonicContact NE-OE1 3.98Å; R46-E78 PolarHBondContact NE-OE1 2.96Å; R46-E78 IonicContact NH2-OE1 3.36Å |
| 47 | T | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 135.7 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | W18 I34 D36 R37 R49 Y76 S77 | W18-T47 HydrophobicContact CH2-CG2 3.6Å; W18-T47 HydrophobicContact CZ3-CG2 3.99Å; I34-T47 HydrophobicContact CG1-CG2 4.44Å; I34-T47 HydrophobicContact CG2-CG2 4.05Å; D36-T47 CarbonylContact O-C 3.6Å; D36-T47 WeakPolarHBondContact O-CA 3.41Å; R37-T47 HydrophobicContact CB-CG2 4.39Å; R37-T47 WeakPolarHBondContact CG-OG1 3.41Å; R37-T47 PolarHBondContact NE-OG1 3.34Å; T47-R49 HydrophobicContact CG2-CG 3.91Å; T47-Y76 CarbonylContact O-C 3.49Å; T47-Y76 WeakPolarHBondContact O-CA 3.4Å; T47-S77 PolarHBondContact N-O 2.85Å; T47-S77 PolarHBondContact O-N 2.83Å; T47-S77 PolarHBondContact O-OG 2.83Å |
| 48 | T | 97.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.135 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.8 | 169 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | V35 D36 Q74 E75 | V35-T48 HydrophobicContact CB-CG2 4.24Å; V35-T48 PolarHBondContact N-O 2.73Å; D36-T48 PolarHBondContact N-O 2.83Å; D36-T48 PolarHBondContact O-N 3.43Å; T48-Q74 HydrophobicContact CG2-CG 3.94Å; T48-E75 CarbonylContact C-O 3.55Å; T48-E75 WeakPolarHBondContact CA-O 3.37Å |
| 49 | R | 96.7 | Very high | 91 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 5% | 0.045 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.9 | 174.3 | -59.4 | -164 | -77 | -169.1 | -0.1 | 111 | W18 I32 D33 I34 T47 Q74 E75 | W18-R49 PolarHBondContact O-NH1 3.27Å; I32-R49 HydrophobicContact CG2-CB 4.27Å; I32-R49 HydrophobicContact CG2-CG 4.49Å; D33-R49 CarbonylContact O-C 3.59Å; D33-R49 WeakPolarHBondContact O-CA 3.23Å; I34-R49 HydrophobicContact CG1-CG 4.23Å; T47-R49 HydrophobicContact CG2-CG 3.91Å; R49-Q74 WeakPolarHBondContact O-CA 3.45Å; R49-E75 HydrophobicContact CB-CB 4.39Å; R49-E75 IonicContact CZ-OE1 3.44Å; R49-E75 PolarHBondContact N-O 2.83Å; R49-E75 IonicContact NE-OE1 3.28Å; R49-E75 PolarHBondContact NE-OE1 2.83Å; R49-E75 IonicContact NH2-OE1 3.06Å; R49-E75 PolarHBondContact NH2-OE1 3.32Å; R49-E75 IonicContact NH2-OE2 2.96Å; R49-E75 PolarHBondContact NH2-OE2 2.92Å; R49-E75 PolarHBondContact O-N 2.8Å |
| 50 | L | 96 | Very high | 90 | Very high | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.8 | 164.2 | -177.3 | 67 | 0 | 0 | 0 | 107.9 | I32 D33 V35 Y72 L93 | I32-L50 WeakPolarHBondContact CA-O 3.49Å; D33-L50 PolarHBondContact N-O 2.9Å; D33-L50 PolarHBondContact O-N 2.92Å; V35-L50 HydrophobicContact CG2-CB 3.81Å; L50-Y72 HydrophobicContact CD1-CD1 4.37Å; L50-Y72 HydrophobicContact CD2-CD1 4.5Å; L50-Y72 HydrophobicContact CG-CD1 4.46Å; L50-L93 HydrophobicContact CD1-CD1 3.62Å |
| 51 | I | 94.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.5 | -178.5 | -57.1 | 177 | 0 | 0 | 0 | 108.1 | V29 I32 T53 Y72 A73 E75 | V29-I51 HydrophobicContact CG1-CG2 3.91Å; I32-I51 HydrophobicContact CG1-CG1 4.4Å; I32-I51 HydrophobicContact CG1-CG2 4.35Å; I32-I51 HydrophobicContact CG2-CG1 4.5Å; I51-T53 HydrophobicContact CG2-CG2 4.08Å; I51-Y72 CarbonylContact O-C 3.58Å; I51-Y72 WeakPolarHBondContact O-CA 3.45Å; I51-A73 HydrophobicContact CB-CB 4.43Å; I51-A73 PolarHBondContact N-O 2.84Å; I51-A73 PolarHBondContact O-N 2.99Å; I51-E75 HydrophobicContact CD1-CB 3.75Å; I51-E75 HydrophobicContact CD1-CG 4.49Å; I51-E75 HydrophobicContact CG1-CB 4.46Å |
| 52 | R | 93 | Very high | 88.2 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.2 | 173.7 | -174.1 | -176.8 | -179.2 | -92.5 | -1.2 | 109.4 | T30 G31 E54 P70 Y72 | T30-R52 PolarHBondContact N-O 3.17Å; T30-R52 PolarHBondContact OG1-NH1 2.79Å; T30-R52 PolarHBondContact OG1-O 3.29Å; G31-R52 PolarHBondContact N-O 3.19Å; G31-R52 PolarHBondContact O-N 3.28Å; R52-E54 IonicContact CZ-OE1 3.16Å; R52-E54 IonicContact NH1-OE1 2.74Å; R52-E54 PolarHBondContact NH1-OE1 2.77Å; R52-E54 IonicContact NH2-OE1 2.76Å; R52-E54 PolarHBondContact NH2-OE1 3.09Å; R52-P70 HydrophobicContact CG-CB 3.9Å; R52-P70 HydrophobicContact CG-CG 4.49Å; R52-Y72 HydrophobicContact CB-CD1 4.26Å; R52-Y72 HydrophobicContact CB-CE1 4.15Å; R52-Y72 HydrophobicContact CG-CD1 4.36Å; R52-Y72 HydrophobicContact CG-CE1 3.89Å |
| 53 | T | 90 | Very high | 87.3 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.2 | 179.7 | 51.2 | 0 | 0 | 0 | 0 | 112 | E28 V29 I51 W55 S71 | E28-T53 CarbonylContact O-C 3.54Å; E28-T53 WeakPolarHBondContact O-CA 3.39Å; V29-T53 HydrophobicContact CG2-CG2 3.98Å; I51-T53 HydrophobicContact CG2-CG2 4.08Å; T53-W55 VanDerWaalsContact CB-NE1 3.34Å; T53-W55 HydrophobicContact CG2-CZ2 4.49Å; T53-W55 PolarHBondContact OG1-NE1 3.04Å; T53-S71 PolarHBondContact N-O 3.44Å; T53-S71 PolarHBondContact O-N 3.13Å; T53-S71 PolarHBondContact OG1-O 2.62Å; T53-S71 VanDerWaalsContact OG1-O 3.06Å |
| 54 | E | 87.9 | Confident | 86.2 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | trans | -114 | 107.5 | 172.3 | -69.8 | -172.6 | -172 | 0 | 0 | 109.1 | E28 T30 R52 P70 | E28-E54 PolarHBondContact O-N 2.86Å; T30-E54 HydrophobicContact CG2-CB 4.12Å; T30-E54 HydrophobicContact CG2-CG 3.93Å; R52-E54 IonicContact CZ-OE1 3.16Å; R52-E54 IonicContact NH1-OE1 2.74Å; R52-E54 PolarHBondContact NH1-OE1 2.77Å; R52-E54 IonicContact NH2-OE1 2.76Å; R52-E54 PolarHBondContact NH2-OE1 3.09Å; E54-P70 HydrophobicContact CG-CB 4.25Å | ||
| 55 | W | 81.1 | Confident | 85 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 24% | 0.239 | 28% | 0.278 | C | S | . | . | trans | -96.1 | 135 | -176.2 | -64.3 | 91.7 | 0 | 0 | 0 | 110.6 | E28 T53 I57 N69 M143 | E28-W55 HydrophobicContact CG-CE3 4.5Å; T53-W55 VanDerWaalsContact CB-NE1 3.34Å; T53-W55 HydrophobicContact CG2-CZ2 4.49Å; T53-W55 PolarHBondContact OG1-NE1 3.04Å; W55-I57 VanDerWaalsContact C-N 3.3Å; W55-I57 HydrophobicContact CB-CD1 3.92Å; W55-I57 HydrophobicContact CB-CG1 3.54Å; W55-I57 PolarHBondContact O-N 3.39Å; W55-I57 VanDerWaalsContact O-N 3.12Å; W55-N69 PolarHBondContact N-OD1 3.09Å; W55-N69 VanDerWaalsContact N-OD1 3.12Å; W55-N69 PolarHBondContact O-ND2 3Å; W55-M143 HydrophobicContact CE3-CE 3.7Å; W55-M143 HydrophobicContact CZ3-CE 3.83Å | ||
| 56 | R | 78.8 | Confident | 83.6 | Confident | 251 Ų | 251 | 58 Ų | 58 | 95% | 0.947 | 29% | 0.288 | S | S | * | . | trans | -85.5 | 77.1 | 167.9 | -64.9 | -174 | 179.9 | -164.9 | 0.2 | 109.4 | ||||
| 57 | I | 74.6 | Confident | 82.4 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | trans | -91.7 | 139.1 | 177.5 | -52.2 | -169.3 | 0 | 0 | 0 | 109.1 | W55 A61 T62 L67 M139 | W55-I57 VanDerWaalsContact C-N 3.3Å; W55-I57 HydrophobicContact CB-CD1 3.92Å; W55-I57 HydrophobicContact CB-CG1 3.54Å; W55-I57 PolarHBondContact O-N 3.39Å; W55-I57 VanDerWaalsContact O-N 3.12Å; I57-A61 HydrophobicContact CG2-CB 3.67Å; I57-T62 HydrophobicContact CB-CG2 3.81Å; I57-T62 HydrophobicContact CG2-CG2 3.93Å; I57-L67 HydrophobicContact CD1-CD1 4.11Å; I57-L67 HydrophobicContact CD1-CD2 3.67Å; I57-L67 HydrophobicContact CD1-CG 4.33Å; I57-M139 HydrophobicContact CG2-CE 4.22Å | ||
| 58 | P | 75.4 | Confident | 81.2 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | trans | -55.1 | 139.6 | 172.2 | -26 | 35 | 0 | 0 | 0 | 112.3 | W60 A61 T62 | P58-W60 VanDerWaalsContact CB-CD1 3.45Å; P58-W60 HydrophobicContact CB-CG 4.34Å; P58-W60 VanDerWaalsContact CB-NE1 3.28Å; P58-W60 PolarHBondContact O-N 3.49Å; P58-W60 VanDerWaalsContact O-N 3.16Å; P58-A61 PolarHBondContact O-N 3.02Å; P58-T62 PolarHBondContact O-N 3.48Å | ||
| 59 | N | 78.4 | Confident | 80.3 | Confident | 131 Ų | 131 | 67.7 Ų | 67.7 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -53.2 | -41.5 | -176.4 | -69.3 | -12.5 | 0 | 0 | 0 | 112.8 | A61 T62 S63 | N59-A61 VanDerWaalsContact C-N 3.26Å; N59-A61 PolarHBondContact O-N 2.96Å; N59-T62 WeakPolarHBondContact CA-OG1 3.45Å; N59-T62 PolarHBondContact O-N 3.16Å; N59-T62 VanDerWaalsContact O-N 3.16Å; N59-T62 PolarHBondContact O-OG1 2.79Å; N59-S63 PolarHBondContact O-N 3.43Å; N59-S63 PolarHBondContact O-OG 2.94Å |
| 60 | W | 77 | Confident | 79.8 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -38.6 | 179.3 | 71.3 | -99.2 | 0 | 0 | 0 | 112.5 | P58 L64 Y135 M136 | P58-W60 VanDerWaalsContact CB-CD1 3.45Å; P58-W60 HydrophobicContact CB-CG 4.34Å; P58-W60 VanDerWaalsContact CB-NE1 3.28Å; P58-W60 PolarHBondContact O-N 3.49Å; P58-W60 VanDerWaalsContact O-N 3.16Å; W60-L64 HydrophobicContact CZ3-CD2 4.48Å; W60-L64 PolarHBondContact O-N 2.74Å; W60-Y135 AromaticContact CH2-CD1 3.6Å; W60-Y135 HydrophobicContact CH2-CD1 3.6Å; W60-Y135 AromaticContact CH2-CE1 3.32Å; W60-Y135 HydrophobicContact CH2-CE1 3.32Å; W60-Y135 HydrophobicContact CZ2-CD1 4.28Å; W60-Y135 AromaticContact CZ2-CE1 3.53Å; W60-Y135 HydrophobicContact CZ2-CE1 3.53Å; W60-M136 HydrophobicContact CH2-CE 3.32Å; W60-M136 HydrophobicContact CZ2-CE 4.35Å; W60-M136 HydrophobicContact CZ3-CE 3.71Å |
| 61 | A | 74.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.8 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I57 P58 N59 S63 L64 I65 M136 | I57-A61 HydrophobicContact CG2-CB 3.67Å; P58-A61 PolarHBondContact O-N 3.02Å; N59-A61 VanDerWaalsContact C-N 3.26Å; N59-A61 PolarHBondContact O-N 2.96Å; A61-S63 PolarHBondContact O-N 3.26Å; A61-L64 WeakPolarHBondContact O-CB 3.35Å; A61-L64 PolarHBondContact O-N 3.42Å; A61-I65 WeakPolarHBondContact O-CG1 2.99Å; A61-I65 PolarHBondContact O-N 3.5Å; A61-M136 HydrophobicContact CB-CE 4.37Å |
| 62 | T | 76.2 | Confident | 79.3 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.8 | -36.1 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | I57 P58 N59 G66 L67 | I57-T62 HydrophobicContact CB-CG2 3.81Å; I57-T62 HydrophobicContact CG2-CG2 3.93Å; P58-T62 PolarHBondContact O-N 3.48Å; N59-T62 WeakPolarHBondContact CA-OG1 3.45Å; N59-T62 PolarHBondContact O-N 3.16Å; N59-T62 VanDerWaalsContact O-N 3.16Å; N59-T62 PolarHBondContact O-OG1 2.79Å; T62-G66 CarbonylContact O-C 3.59Å; T62-G66 WeakPolarHBondContact O-CA 3.47Å; T62-G66 PolarHBondContact O-N 3.45Å; T62-L67 WeakPolarHBondContact CB-O 2.96Å; T62-L67 WeakPolarHBondContact CG2-O 3.43Å; T62-L67 PolarHBondContact O-N 3.33Å |
| 63 | S | 77.3 | Confident | 79.3 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.1 | -34 | 174.9 | -60 | 0 | 0 | 0 | 0 | 112.8 | N59 A61 | N59-S63 PolarHBondContact O-N 3.43Å; N59-S63 PolarHBondContact O-OG 2.94Å; A61-S63 PolarHBondContact O-N 3.26Å |
| 64 | L | 72.4 | Confident | 79.5 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.3 | -47.4 | -178.3 | -167.6 | 71.9 | 0 | 0 | 0 | 112.7 | W60 A61 V130 P131 M136 | W60-L64 HydrophobicContact CZ3-CD2 4.48Å; W60-L64 PolarHBondContact O-N 2.74Å; A61-L64 WeakPolarHBondContact O-CB 3.35Å; A61-L64 PolarHBondContact O-N 3.42Å; L64-V130 HydrophobicContact CD2-CG1 4.21Å; L64-V130 HydrophobicContact CG-CG1 3.91Å; L64-P131 HydrophobicContact CD1-CB 4.45Å; L64-P131 HydrophobicContact CD1-CG 4.03Å; L64-M136 HydrophobicContact CD2-SD 4.43Å |
| 65 | I | 70.7 | Confident | 79.9 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -93.8 | 0.6 | -178.1 | 52.1 | 162.5 | 0 | 0 | 0 | 113.4 | A61 L67 F98 V99 V130 M136 | A61-I65 WeakPolarHBondContact O-CG1 2.99Å; A61-I65 PolarHBondContact O-N 3.5Å; I65-L67 HydrophobicContact CD1-CB 3.54Å; I65-L67 HydrophobicContact CD1-CD1 3.63Å; I65-L67 HydrophobicContact CD1-CG 4.22Å; I65-L67 HydrophobicContact CG1-CB 3.79Å; I65-L67 PolarHBondContact O-N 2.96Å; I65-F98 HydrophobicContact CB-CB 4.27Å; I65-F98 HydrophobicContact CG2-CB 4.18Å; I65-F98 WeakPolarHBondContact O-CD2 3.43Å; I65-V99 HydrophobicContact CG2-CG2 4.13Å; I65-V130 HydrophobicContact CG2-CG1 3.67Å; I65-M136 HydrophobicContact CG2-SD 4.13Å |
| 66 | G | 69.4 | Low | 80.7 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 21.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T62 K68 | T62-G66 CarbonylContact O-C 3.59Å; T62-G66 WeakPolarHBondContact O-CA 3.47Å; T62-G66 PolarHBondContact O-N 3.45Å; G66-K68 PolarHBondContact O-N 2.81Å; G66-K68 VanDerWaalsContact O-N 3.16Å |
| 67 | L | 72.2 | Confident | 81.6 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | trans | -76.7 | 106.4 | -173.9 | -157.8 | 144.2 | 0 | 0 | 0 | 110.5 | I57 T62 I65 C95 | I57-L67 HydrophobicContact CD1-CD1 4.11Å; I57-L67 HydrophobicContact CD1-CD2 3.67Å; I57-L67 HydrophobicContact CD1-CG 4.33Å; T62-L67 WeakPolarHBondContact CB-O 2.96Å; T62-L67 WeakPolarHBondContact CG2-O 3.43Å; T62-L67 PolarHBondContact O-N 3.33Å; I65-L67 HydrophobicContact CD1-CB 3.54Å; I65-L67 HydrophobicContact CD1-CD1 3.63Å; I65-L67 HydrophobicContact CD1-CG 4.22Å; I65-L67 HydrophobicContact CG1-CB 3.79Å; I65-L67 PolarHBondContact O-N 2.96Å; L67-C95 WeakPolarHBondContact CA-SG 3.49Å; L67-C95 HydrophobicContact CD1-CB 4.18Å; L67-C95 WeakPolarHBondContact CG-SG 3.38Å | ||
| 68 | K | 71.8 | Confident | 82.7 | Confident | 175 Ų | 175 | 55.9 Ų | 55.9 | 76% | 0.761 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 135.9 | 173.7 | -65.7 | -176 | 179.9 | -178.8 | 0 | 109.9 | G66 P70 | G66-K68 PolarHBondContact O-N 2.81Å; G66-K68 VanDerWaalsContact O-N 3.16Å; K68-P70 CarbonylContact O-C 3.5Å |
| 69 | N | 78.2 | Confident | 83.7 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -77.7 | 145.6 | 168.2 | -79.1 | -37.2 | 0 | 0 | 0 | 110.4 | W55 | W55-N69 PolarHBondContact N-OD1 3.09Å; W55-N69 VanDerWaalsContact N-OD1 3.12Å; W55-N69 PolarHBondContact O-ND2 3Å |
| 70 | P | 86.9 | Confident | 84.6 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | S | Bend | cis | -77.5 | 153.1 | -5 | 32.8 | -36.2 | 0 | 0 | 0 | 112.9 | R52 E54 K68 Y72 N94 | R52-P70 HydrophobicContact CG-CB 3.9Å; R52-P70 HydrophobicContact CG-CG 4.49Å; E54-P70 HydrophobicContact CG-CB 4.25Å; K68-P70 CarbonylContact O-C 3.5Å; P70-Y72 HydrophobicContact CG-CE2 4.23Å; P70-N94 PolarHBondContact O-ND2 3.35Å |
| 71 | S | 88.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.6 | 170.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | T53 N94 | T53-S71 PolarHBondContact N-O 3.44Å; T53-S71 PolarHBondContact O-N 3.13Å; T53-S71 PolarHBondContact OG1-O 2.62Å; T53-S71 VanDerWaalsContact OG1-O 3.06Å; S71-N94 WeakPolarHBondContact CA-ND2 3.42Å |
| 72 | Y | 91.6 | Very high | 86.4 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.2 | 175.8 | -56.6 | -80.8 | 0 | 0 | 0 | 111 | L50 I51 R52 P70 L93 N94 | L50-Y72 HydrophobicContact CD1-CD1 4.37Å; L50-Y72 HydrophobicContact CD2-CD1 4.5Å; L50-Y72 HydrophobicContact CG-CD1 4.46Å; I51-Y72 CarbonylContact O-C 3.58Å; I51-Y72 WeakPolarHBondContact O-CA 3.45Å; R52-Y72 HydrophobicContact CB-CD1 4.26Å; R52-Y72 HydrophobicContact CB-CE1 4.15Å; R52-Y72 HydrophobicContact CG-CD1 4.36Å; R52-Y72 HydrophobicContact CG-CE1 3.89Å; P70-Y72 HydrophobicContact CG-CE2 4.23Å; Y72-L93 PolarHBondContact O-N 3.45Å; Y72-N94 WeakPolarHBondContact CA-OD1 3.31Å; Y72-N94 VanDerWaalsContact CB-OD1 3.26Å; Y72-N94 WeakPolarHBondContact CB-OD1 3.47Å; Y72-N94 WeakPolarHBondContact CD2-OD1 3.42Å; Y72-N94 PolarHBondContact N-ND2 2.93Å; Y72-N94 PolarHBondContact N-OD1 2.73Å; Y72-N94 PolarHBondContact O-OD1 3.2Å |
| 73 | A | 92.6 | Very high | 87.3 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I51 R91 | I51-A73 HydrophobicContact CB-CB 4.43Å; I51-A73 PolarHBondContact N-O 2.84Å; I51-A73 PolarHBondContact O-N 2.99Å; A73-R91 CarbonylContact C-O 3.59Å; A73-R91 WeakPolarHBondContact CA-O 3.17Å; A73-R91 WeakPolarHBondContact CB-O 3.42Å |
| 74 | Q | 95.4 | Very high | 88.2 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.5 | 168.5 | 178.5 | -177.9 | 9 | 0 | 0 | 107.5 | T48 R49 S90 R91 L93 | T48-Q74 HydrophobicContact CG2-CG 3.94Å; R49-Q74 WeakPolarHBondContact O-CA 3.45Å; Q74-S90 CarbonylContact O-C 3.6Å; Q74-S90 WeakPolarHBondContact O-CA 3.33Å; Q74-R91 HydrophobicContact CB-CG 4.2Å; Q74-R91 PolarHBondContact N-O 2.79Å; Q74-R91 PolarHBondContact O-N 2.78Å; Q74-L93 HydrophobicContact CB-CD1 4.23Å; Q74-L93 HydrophobicContact CB-CD2 3.85Å; Q74-L93 HydrophobicContact CB-CG 4.1Å |
| 75 | E | 96.5 | Very high | 89.4 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.6 | 170 | -174.6 | -166.8 | 82.6 | 0 | 0 | 109.1 | T48 R49 I51 L88 Q89 S90 | T48-E75 CarbonylContact C-O 3.55Å; T48-E75 WeakPolarHBondContact CA-O 3.37Å; R49-E75 HydrophobicContact CB-CB 4.39Å; R49-E75 IonicContact CZ-OE1 3.44Å; R49-E75 PolarHBondContact N-O 2.83Å; R49-E75 IonicContact NE-OE1 3.28Å; R49-E75 PolarHBondContact NE-OE1 2.83Å; R49-E75 IonicContact NH2-OE1 3.06Å; R49-E75 PolarHBondContact NH2-OE1 3.32Å; R49-E75 IonicContact NH2-OE2 2.96Å; R49-E75 PolarHBondContact NH2-OE2 2.92Å; R49-E75 PolarHBondContact O-N 2.8Å; I51-E75 HydrophobicContact CD1-CB 3.75Å; I51-E75 HydrophobicContact CD1-CG 4.49Å; I51-E75 HydrophobicContact CG1-CB 4.46Å; E75-L88 HydrophobicContact CG-CB 4.47Å; E75-Q89 CarbonylContact C-O 3.55Å; E75-Q89 VanDerWaalsContact CA-O 3.29Å; E75-Q89 WeakPolarHBondContact CA-O 3.31Å; E75-S90 WeakPolarHBondContact CG-OG 3.22Å |
| 76 | Y | 97.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.3 | 169.7 | 175.8 | -104.1 | 0 | 0 | 0 | 108.5 | R46 T47 E78 L88 Q89 | R46-Y76 HydrophobicContact CB-CE2 4.27Å; R46-Y76 WeakPolarHBondContact CD-OH 3.47Å; R46-Y76 WeakPolarHBondContact CG-OH 3.21Å; R46-Y76 PolarHBondContact NE-OH 2.84Å; T47-Y76 CarbonylContact O-C 3.49Å; T47-Y76 WeakPolarHBondContact O-CA 3.4Å; Y76-E78 HydrophobicContact CD1-CG 4.32Å; Y76-E78 HydrophobicContact CE1-CG 3.38Å; Y76-E78 WeakPolarHBondContact CE1-OE1 3.41Å; Y76-E78 WeakPolarHBondContact OH-CG 3.29Å; Y76-E78 PolarHBondContact OH-OE1 3.02Å; Y76-L88 CarbonylContact O-C 3.54Å; Y76-L88 WeakPolarHBondContact O-CA 3.46Å; Y76-Q89 PolarHBondContact N-O 2.79Å; Y76-Q89 PolarHBondContact O-N 2.79Å |
| 77 | S | 97.2 | Very high | 92 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.3 | 178.9 | 69.4 | 0 | 0 | 0 | 0 | 112 | W18 R46 T47 V87 | W18-S77 WeakPolarHBondContact CH2-OG 3.45Å; W18-S77 WeakPolarHBondContact CZ2-OG 3.32Å; R46-S77 WeakPolarHBondContact CA-O 3.43Å; T47-S77 PolarHBondContact N-O 2.85Å; T47-S77 PolarHBondContact O-N 2.83Å; T47-S77 PolarHBondContact O-OG 2.83Å; S77-V87 CarbonylContact C-O 3.59Å; S77-V87 WeakPolarHBondContact CA-O 3.15Å |
| 78 | E | 97.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.4 | 171.3 | -57.6 | -166.8 | 143.8 | 0 | 0 | 109.4 | I44 L45 R46 Y76 M86 V87 | I44-E78 HydrophobicContact CG2-CB 3.96Å; L45-E78 CarbonylContact O-C 3.49Å; L45-E78 WeakPolarHBondContact O-CA 3.4Å; R46-E78 HydrophobicContact CG-CG 4.29Å; R46-E78 IonicContact NE-OE1 3.98Å; R46-E78 PolarHBondContact NE-OE1 2.96Å; R46-E78 IonicContact NH2-OE1 3.36Å; Y76-E78 HydrophobicContact CD1-CG 4.32Å; Y76-E78 HydrophobicContact CE1-CG 3.38Å; Y76-E78 WeakPolarHBondContact CE1-OE1 3.41Å; Y76-E78 WeakPolarHBondContact OH-CG 3.29Å; Y76-E78 PolarHBondContact OH-OE1 3.02Å; E78-M86 CarbonylContact O-C 3.07Å; E78-M86 WeakPolarHBondContact O-CA 3.34Å; E78-V87 PolarHBondContact N-O 3.09Å; E78-V87 PolarHBondContact O-N 3.23Å |
| 79 | V | 97.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.109 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 113.2 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | W10 W18 L45 M86 | W10-V79 HydrophobicContact CH2-CG1 3.89Å; W10-V79 HydrophobicContact CZ2-CG1 4.13Å; W18-V79 HydrophobicContact CZ2-CG2 4.16Å; L45-V79 HydrophobicContact CB-CB 4.25Å; L45-V79 PolarHBondContact N-O 2.84Å; L45-V79 PolarHBondContact O-N 2.92Å; V79-M86 HydrophobicContact CG2-CB 4.32Å; V79-M86 HydrophobicContact CG2-CE 4.03Å; V79-M86 HydrophobicContact CG2-CG 3.95Å; V79-M86 HydrophobicContact CG2-SD 4.15Å |
| 80 | D | 96.7 | Very high | 95 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 102.3 | 172.5 | -176.7 | -17.7 | 0 | 0 | 0 | 108.6 | I44 T82 N83 R84 R85 | I44-D80 HydrophobicContact CD1-CB 4.35Å; I44-D80 HydrophobicContact CG1-CB 4.11Å; D80-T82 VanDerWaalsContact C-N 3.29Å; D80-T82 WeakPolarHBondContact OD1-CA 3.25Å; D80-T82 WeakPolarHBondContact OD1-CB 3.49Å; D80-T82 PolarHBondContact OD1-N 3.34Å; D80-N83 PolarHBondContact OD1-N 3.49Å; D80-N83 WeakPolarHBondContact OD2-CB 3.4Å; D80-N83 PolarHBondContact OD2-ND2 2.87Å; D80-R84 WeakPolarHBondContact O-CA 3.37Å; D80-R84 PolarHBondContact O-N 3.39Å; D80-R85 PolarHBondContact N-O 2.67Å; D80-R85 PolarHBondContact O-N 3.11Å |
| 81 | A | 94.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -25.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 82 | T | 94.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 53.4 Ų | 53.4 | 67% | 0.669 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -48.5 | -179.3 | -51.3 | 0 | 0 | 0 | 0 | 110 | D80 R84 | D80-T82 VanDerWaalsContact C-N 3.29Å; D80-T82 WeakPolarHBondContact OD1-CA 3.25Å; D80-T82 WeakPolarHBondContact OD1-CB 3.49Å; D80-T82 PolarHBondContact OD1-N 3.34Å; T82-R84 VanDerWaalsContact C-N 3.33Å |
| 83 | N | 95.3 | Very high | 95.1 | Very high | 118 Ų | 118 | 51.7 Ų | 51.7 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.7 | 178.8 | -66.3 | -56.6 | 0 | 0 | 0 | 113.5 | D80 R85 | D80-N83 PolarHBondContact OD1-N 3.49Å; D80-N83 WeakPolarHBondContact OD2-CB 3.4Å; D80-N83 PolarHBondContact OD2-ND2 2.87Å; N83-R85 PolarHBondContact O-N 3.47Å |
| 84 | R | 96.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 52.7 Ų | 52.7 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 56 | -176 | -65.8 | -177.7 | -70.9 | -179.2 | -4.8 | 111.7 | W10 E11 D80 T82 P109 | W10-R84 HydrophobicContact CD2-CB 3.82Å; W10-R84 HydrophobicContact CD2-CG 4.38Å; W10-R84 HydrophobicContact CE3-CB 3.83Å; W10-R84 HydrophobicContact CE3-CG 3.87Å; W10-R84 HydrophobicContact CG-CB 4.2Å; W10-R84 HydrophobicContact CZ3-CB 4.27Å; W10-R84 HydrophobicContact CZ3-CG 4.16Å; W10-R84 PolarHBondContact NE1-O 2.98Å; E11-R84 WeakPolarHBondContact OE1-CD 3.19Å; D80-R84 WeakPolarHBondContact O-CA 3.37Å; D80-R84 PolarHBondContact O-N 3.39Å; T82-R84 VanDerWaalsContact C-N 3.33Å; R84-P109 HydrophobicContact CB-CG 3.76Å; R84-P109 WeakPolarHBondContact O-CD 3.46Å |
| 85 | R | 96.6 | Very high | 93.4 | Very high | 126 Ų | 126 | 51.3 Ų | 51.3 | 48% | 0.475 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.1 | 180 | -178.3 | -178.9 | 170.1 | -161.7 | -4.7 | 109.6 | D80 N83 V87 | D80-R85 PolarHBondContact N-O 2.67Å; D80-R85 PolarHBondContact O-N 3.11Å; N83-R85 PolarHBondContact O-N 3.47Å; R85-V87 HydrophobicContact CG-CG2 4.09Å |
| 86 | M | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.5 | 172.7 | 168.5 | 173.8 | -158.7 | 0 | 0 | 108.8 | W10 A14 A17 W18 E78 V79 L88 N106 Y107 | W10-M86 HydrophobicContact CZ2-CB 3.92Å; A14-M86 HydrophobicContact CB-SD 3.87Å; A17-M86 HydrophobicContact CB-CE 4.04Å; A17-M86 HydrophobicContact CB-SD 4.04Å; W18-M86 HydrophobicContact CD2-CE 4.37Å; W18-M86 HydrophobicContact CG-CE 4.34Å; W18-M86 HydrophobicContact CZ2-CE 4.3Å; E78-M86 CarbonylContact O-C 3.07Å; E78-M86 WeakPolarHBondContact O-CA 3.34Å; V79-M86 HydrophobicContact CG2-CB 4.32Å; V79-M86 HydrophobicContact CG2-CE 4.03Å; V79-M86 HydrophobicContact CG2-CG 3.95Å; V79-M86 HydrophobicContact CG2-SD 4.15Å; M86-L88 HydrophobicContact CE-CD1 3.64Å; M86-L88 HydrophobicContact CE-CD2 4.26Å; M86-L88 HydrophobicContact CE-CG 4.21Å; M86-L88 HydrophobicContact CG-CD1 3.45Å; M86-L88 VanDerWaalsContact CG-CD1 3.45Å; M86-L88 HydrophobicContact SD-CD1 4.07Å; M86-N106 WeakPolarHBondContact O-CA 3.4Å; M86-Y107 HydrophobicContact CB-CD2 4.39Å; M86-Y107 HydrophobicContact CG-CD2 4.05Å; M86-Y107 PolarHBondContact N-O 3.43Å; M86-Y107 PolarHBondContact O-N 2.86Å; M86-Y107 HydrophobicContact SD-CD2 4.48Å |
| 87 | V | 97.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.5 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | S77 E78 R85 Q89 T104 L105 | S77-V87 CarbonylContact C-O 3.59Å; S77-V87 WeakPolarHBondContact CA-O 3.15Å; E78-V87 PolarHBondContact N-O 3.09Å; E78-V87 PolarHBondContact O-N 3.23Å; R85-V87 HydrophobicContact CG-CG2 4.09Å; V87-Q89 HydrophobicContact CG1-CG 4.31Å; V87-T104 HydrophobicContact CG1-CG2 4.1Å; V87-L105 CarbonylContact C-O 3.58Å; V87-L105 WeakPolarHBondContact CA-O 3.44Å |
| 88 | L | 96 | Very high | 89.7 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.9 | 174.4 | -63.4 | 70.3 | 0 | 0 | 0 | 107.7 | E75 Y76 M86 T104 L105 Y107 | E75-L88 HydrophobicContact CG-CB 4.47Å; Y76-L88 CarbonylContact O-C 3.54Å; Y76-L88 WeakPolarHBondContact O-CA 3.46Å; M86-L88 HydrophobicContact CE-CD1 3.64Å; M86-L88 HydrophobicContact CE-CD2 4.26Å; M86-L88 HydrophobicContact CE-CG 4.21Å; M86-L88 HydrophobicContact CG-CD1 3.45Å; M86-L88 VanDerWaalsContact CG-CD1 3.45Å; M86-L88 HydrophobicContact SD-CD1 4.07Å; L88-T104 CarbonylContact O-C 3.47Å; L88-T104 VanDerWaalsContact O-CA 3.3Å; L88-T104 WeakPolarHBondContact O-CA 3.3Å; L88-L105 HydrophobicContact CB-CB 4.38Å; L88-L105 PolarHBondContact N-O 3.41Å; L88-L105 PolarHBondContact O-N 3.05Å; L88-Y107 HydrophobicContact CD1-CD2 3.79Å; L88-Y107 HydrophobicContact CD1-CE2 3.51Å |
| 89 | Q | 95.8 | Very high | 88.9 | Confident | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.3 | 176.6 | -68.7 | -179.2 | -27.9 | 0 | 0 | 108 | E75 Y76 V87 E103 T104 | E75-Q89 CarbonylContact C-O 3.55Å; E75-Q89 VanDerWaalsContact CA-O 3.29Å; E75-Q89 WeakPolarHBondContact CA-O 3.31Å; Y76-Q89 PolarHBondContact N-O 2.79Å; Y76-Q89 PolarHBondContact O-N 2.79Å; V87-Q89 HydrophobicContact CG1-CG 4.31Å; Q89-E103 CarbonylContact C-O 3.53Å; Q89-E103 VanDerWaalsContact CA-O 3.31Å; Q89-E103 WeakPolarHBondContact CA-O 3.35Å; Q89-T104 HydrophobicContact CG-CG2 4.13Å |
| 90 | S | 94 | Very high | 88.3 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.1 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | Q74 E75 E102 E103 | Q74-S90 CarbonylContact O-C 3.6Å; Q74-S90 WeakPolarHBondContact O-CA 3.33Å; E75-S90 WeakPolarHBondContact CG-OG 3.22Å; S90-E102 CarbonylContact O-C 3.56Å; S90-E102 WeakPolarHBondContact O-CA 3.26Å; S90-E103 PolarHBondContact N-O 2.92Å; S90-E103 PolarHBondContact O-N 3.3Å |
| 91 | R | 92.5 | Very high | 87.8 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.7 | 171.5 | 69.4 | 179.9 | -164.6 | 169.2 | 1.2 | 111 | A73 Q74 V101 E102 | A73-R91 CarbonylContact C-O 3.59Å; A73-R91 WeakPolarHBondContact CA-O 3.17Å; A73-R91 WeakPolarHBondContact CB-O 3.42Å; Q74-R91 HydrophobicContact CB-CG 4.2Å; Q74-R91 PolarHBondContact N-O 2.79Å; Q74-R91 PolarHBondContact O-N 2.78Å; R91-V101 WeakPolarHBondContact CA-O 3.3Å; R91-E102 HydrophobicContact CB-CG 4.37Å |
| 92 | N | 90.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.3 | 171.6 | 63.2 | -59.1 | 0 | 0 | 0 | 111 | N94 R96 V99 C100 V101 | N92-N94 PolarHBondContact ND2-O 3.43Å; N92-R96 WeakPolarHBondContact O-CD 3.22Å; N92-V99 PolarHBondContact ND2-O 2.94Å; N92-C100 WeakPolarHBondContact OD1-CA 3.43Å; N92-V101 PolarHBondContact N-O 3.26Å; N92-V101 PolarHBondContact OD1-N 3.43Å; N92-V101 PolarHBondContact OD1-O 2.94Å |
| 93 | L | 86.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | trans | -89.7 | -35.7 | 174.9 | -65 | 177.8 | 0 | 0 | 0 | 111.3 | L50 Y72 Q74 R96 | L50-L93 HydrophobicContact CD1-CD1 3.62Å; Y72-L93 PolarHBondContact O-N 3.45Å; Q74-L93 HydrophobicContact CB-CD1 4.23Å; Q74-L93 HydrophobicContact CB-CD2 3.85Å; Q74-L93 HydrophobicContact CB-CG 4.1Å; L93-R96 VanDerWaalsContact CD2-NH2 3.34Å; L93-R96 PolarHBondContact O-NE 3.06Å | ||
| 94 | N | 79 | Confident | 87.6 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -86.6 | 156.8 | -176.2 | -49.4 | 32.8 | 0 | 0 | 0 | 110.7 | P70 S71 Y72 N92 R96 | P70-N94 PolarHBondContact O-ND2 3.35Å; S71-N94 WeakPolarHBondContact CA-ND2 3.42Å; Y72-N94 WeakPolarHBondContact CA-OD1 3.31Å; Y72-N94 VanDerWaalsContact CB-OD1 3.26Å; Y72-N94 WeakPolarHBondContact CB-OD1 3.47Å; Y72-N94 WeakPolarHBondContact CD2-OD1 3.42Å; Y72-N94 PolarHBondContact N-ND2 2.93Å; Y72-N94 PolarHBondContact N-OD1 2.73Å; Y72-N94 PolarHBondContact O-OD1 3.2Å; N92-N94 PolarHBondContact ND2-O 3.43Å; N94-R96 PolarHBondContact O-N 3.18Å; N94-R96 VanDerWaalsContact O-N 3.09Å |
| 95 | C | 71.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 60.1 | 16.7 | 173.4 | -51 | 0 | 0 | 0 | 0 | 115.7 | L67 N97 F98 V99 | L67-C95 WeakPolarHBondContact CA-SG 3.49Å; L67-C95 HydrophobicContact CD1-CB 4.18Å; L67-C95 WeakPolarHBondContact CG-SG 3.38Å; C95-N97 PolarHBondContact O-N 2.96Å; C95-F98 PolarHBondContact O-N 3.33Å; C95-V99 CarbonylContact C-O 3.59Å; C95-V99 PolarHBondContact O-N 3.5Å |
| 96 | R | 67.1 | Low | 87.5 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.7 | -179.6 | -79.2 | -167.3 | -92.9 | -174.9 | -7.6 | 114.1 | N92 L93 N94 F98 | N92-R96 WeakPolarHBondContact O-CD 3.22Å; L93-R96 VanDerWaalsContact CD2-NH2 3.34Å; L93-R96 PolarHBondContact O-NE 3.06Å; N94-R96 PolarHBondContact O-N 3.18Å; N94-R96 VanDerWaalsContact O-N 3.09Å; R96-F98 PolarHBondContact O-N 3.32Å |
| 97 | N | 70.4 | Confident | 87.4 | Confident | 137 Ų | 137 | 47.2 Ų | 47.2 | 73% | 0.733 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19 | 174.4 | -61.6 | -4.9 | 0 | 0 | 0 | 113.1 | C95 | C95-N97 PolarHBondContact O-N 2.96Š|
| 98 | F | 77 | Confident | 87.4 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -41.5 | -176.5 | -58.3 | -72.4 | 0 | 0 | 0 | 113 | I65 C95 R96 V127 Y128 V130 | I65-F98 HydrophobicContact CB-CB 4.27Å; I65-F98 HydrophobicContact CG2-CB 4.18Å; I65-F98 WeakPolarHBondContact O-CD2 3.43Å; C95-F98 PolarHBondContact O-N 3.33Å; R96-F98 PolarHBondContact O-N 3.32Å; F98-V127 CarbonylContact O-C 3.5Å; F98-V127 VanDerWaalsContact O-CA 3.32Å; F98-V127 WeakPolarHBondContact O-CA 3.31Å; F98-Y128 WeakPolarHBondContact CA-O 3.45Å; F98-Y128 PolarHBondContact O-N 3.48Å; F98-V130 HydrophobicContact CD1-CG1 4.07Å |
| 99 | V | 80.3 | Confident | 87.5 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 123.7 | -176.1 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | I65 N92 C95 V101 S126 V127 I140 | I65-V99 HydrophobicContact CG2-CG2 4.13Å; N92-V99 PolarHBondContact ND2-O 2.94Å; C95-V99 CarbonylContact C-O 3.59Å; C95-V99 PolarHBondContact O-N 3.5Å; V99-V101 HydrophobicContact CG1-CG2 3.91Å; V99-S126 CarbonylContact C-O 3.52Å; V99-S126 WeakPolarHBondContact CA-O 3.31Å; V99-V127 HydrophobicContact CG2-CG2 4.48Å; V99-I140 HydrophobicContact CG1-CD1 3.57Å; V99-I140 HydrophobicContact CG2-CD1 4.19Å |
| 100 | C | 85 | Confident | 87.5 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125 | 167.7 | -165.4 | 0 | 0 | 0 | 0 | 108.7 | N92 V125 S126 | N92-C100 WeakPolarHBondContact OD1-CA 3.43Å; C100-V125 WeakPolarHBondContact O-CA 3.48Å; C100-S126 PolarHBondContact N-O 3.38Å; C100-S126 PolarHBondContact O-N 2.83Å |
| 101 | V | 86.7 | Confident | 87.5 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.8 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | R91 N92 V99 V125 I140 | R91-V101 WeakPolarHBondContact CA-O 3.3Å; N92-V101 PolarHBondContact N-O 3.26Å; N92-V101 PolarHBondContact OD1-N 3.43Å; N92-V101 PolarHBondContact OD1-O 2.94Å; V99-V101 HydrophobicContact CG1-CG2 3.91Å; V101-V125 HydrophobicContact CG1-CG2 4.5Å; V101-V125 HydrophobicContact CG2-CG2 4.48Å; V101-I140 HydrophobicContact CG2-CG2 4.17Å |
| 102 | E | 91.1 | Very high | 87.6 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116 | 173.3 | -65.5 | -176.9 | 160.2 | 0 | 0 | 108.4 | S90 R91 A123 N124 | S90-E102 CarbonylContact O-C 3.56Å; S90-E102 WeakPolarHBondContact O-CA 3.26Å; R91-E102 HydrophobicContact CB-CG 4.37Å; E102-A123 CarbonylContact O-C 3.51Å; E102-A123 VanDerWaalsContact O-CA 3.25Å; E102-A123 WeakPolarHBondContact O-CA 3.39Å; E102-N124 PolarHBondContact N-O 3.46Å; E102-N124 PolarHBondContact O-N 3.42Å |
| 103 | E | 92.5 | Very high | 87.9 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.8 | -179.9 | -170.1 | -176.2 | 170.4 | 0 | 0 | 109.4 | Q89 S90 L105 Q121 T122 F144 | Q89-E103 CarbonylContact C-O 3.53Å; Q89-E103 VanDerWaalsContact CA-O 3.31Å; Q89-E103 WeakPolarHBondContact CA-O 3.35Å; S90-E103 PolarHBondContact N-O 2.92Å; S90-E103 PolarHBondContact O-N 3.3Å; E103-L105 HydrophobicContact CG-CD1 3.82Å; E103-L105 WeakPolarHBondContact OE1-CD1 3.45Å; E103-Q121 HydrophobicContact CG-CG 4.27Å; E103-Q121 WeakPolarHBondContact OE1-CG 3.44Å; E103-Q121 PolarHBondContact OE1-NE2 3.15Å; E103-T122 CarbonylContact C-O 3.58Å; E103-T122 WeakPolarHBondContact CA-O 3.48Å; E103-F144 HydrophobicContact CG-CE2 4.39Å |
| 104 | T | 94.9 | Very high | 88.2 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.7 | 172 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | V87 L88 Q89 Q121 T122 | V87-T104 HydrophobicContact CG1-CG2 4.1Å; L88-T104 CarbonylContact O-C 3.47Å; L88-T104 VanDerWaalsContact O-CA 3.3Å; L88-T104 WeakPolarHBondContact O-CA 3.3Å; Q89-T104 HydrophobicContact CG-CG2 4.13Å; T104-Q121 CarbonylContact O-C 3.58Å; T104-Q121 WeakPolarHBondContact O-CA 3.41Å; T104-T122 WeakPolarHBondContact CB-OG1 3.4Å; T104-T122 PolarHBondContact N-O 2.87Å; T104-T122 PolarHBondContact O-N 2.61Å; T104-T122 PolarHBondContact O-OG1 3.29Å |
| 105 | L | 94.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.8 | 170.8 | -62.9 | 86.7 | 0 | 0 | 0 | 108.7 | V87 L88 E103 Y107 T120 Q121 | V87-L105 CarbonylContact C-O 3.58Å; V87-L105 WeakPolarHBondContact CA-O 3.44Å; L88-L105 HydrophobicContact CB-CB 4.38Å; L88-L105 PolarHBondContact N-O 3.41Å; L88-L105 PolarHBondContact O-N 3.05Å; E103-L105 HydrophobicContact CG-CD1 3.82Å; E103-L105 WeakPolarHBondContact OE1-CD1 3.45Å; L105-Y107 HydrophobicContact CB-CE2 3.77Å; L105-Y107 HydrophobicContact CD2-CE2 4.36Å; L105-Y107 VanDerWaalsContact CD2-OH 3.26Å; L105-Y107 WeakPolarHBondContact CD2-OH 3.17Å; L105-T120 CarbonylContact C-O 3.27Å; L105-T120 VanDerWaalsContact CA-O 3.32Å; L105-T120 WeakPolarHBondContact CA-O 3.13Å; L105-Q121 HydrophobicContact CD2-CG 4.5Å; L105-Q121 HydrophobicContact CG-CB 4.4Å; L105-Q121 HydrophobicContact CG-CG 4.06Å |
| 106 | N | 96 | Very high | 90 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.9 | 174.2 | -174.4 | -3.6 | 0 | 0 | 0 | 109.4 | M86 M119 T120 | M86-N106 WeakPolarHBondContact O-CA 3.4Å; N106-M119 CarbonylContact O-C 3.58Å; N106-M119 WeakPolarHBondContact O-CA 3.37Å; N106-T120 PolarHBondContact N-O 2.96Å; N106-T120 PolarHBondContact O-N 2.89Å |
| 107 | Y | 96.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.6 | 178.7 | -56.7 | -96.7 | 0 | 0 | 0 | 108.5 | W10 V13 M86 L88 L105 M119 M155 | W10-Y107 PolarHBondContact NE1-O 3.32Å; V13-Y107 HydrophobicContact CG1-CD1 3.61Å; V13-Y107 HydrophobicContact CG1-CE1 4Å; M86-Y107 HydrophobicContact CB-CD2 4.39Å; M86-Y107 HydrophobicContact CG-CD2 4.05Å; M86-Y107 PolarHBondContact N-O 3.43Å; M86-Y107 PolarHBondContact O-N 2.86Å; M86-Y107 HydrophobicContact SD-CD2 4.48Å; L88-Y107 HydrophobicContact CD1-CD2 3.79Å; L88-Y107 HydrophobicContact CD1-CE2 3.51Å; L105-Y107 HydrophobicContact CB-CE2 3.77Å; L105-Y107 HydrophobicContact CD2-CE2 4.36Å; L105-Y107 VanDerWaalsContact CD2-OH 3.26Å; L105-Y107 WeakPolarHBondContact CD2-OH 3.17Å; Y107-M119 HydrophobicContact CD1-CB 4.16Å; Y107-M119 HydrophobicContact CD1-CG 3.55Å; Y107-M119 HydrophobicContact CD1-SD 3.84Å; Y107-M119 HydrophobicContact CE1-CB 4.22Å; Y107-M119 HydrophobicContact CE1-CG 3.8Å; Y107-M119 HydrophobicContact CE1-SD 3.57Å; Y107-M119 VanDerWaalsContact CE1-SD 3.57Å; Y107-M155 HydrophobicContact CE1-CE 4.05Å |
| 108 | Q | 96.8 | Very high | 92.6 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 151.1 | 179.4 | 58.6 | -173.3 | 45.4 | 0 | 0 | 109.9 | H110 T117 L118 | Q108-H110 PolarHBondContact O-N 3Å; Q108-T117 WeakPolarHBondContact O-CG2 3.37Å; Q108-L118 HydrophobicContact CG-CB 4.2Å; Q108-L118 HydrophobicContact CG-CD2 4.48Å; Q108-L118 PolarHBondContact N-O 3.33Å; Q108-L118 VanDerWaalsContact N-O 3.08Å; Q108-L118 PolarHBondContact O-N 2.84Å |
| 109 | P | 97.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 141.2 | 170.3 | -26.6 | 32.4 | 0 | 0 | 0 | 111.2 | W10 R84 | W10-P109 HydrophobicContact CB-CG 3.98Å; W10-P109 HydrophobicContact CG-CG 4.35Å; R84-P109 HydrophobicContact CB-CG 3.76Å; R84-P109 WeakPolarHBondContact O-CD 3.46Å |
| 110 | H | 96.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 131.3 | 178.6 | -178.9 | -81.9 | 0 | 0 | 0 | 109.4 | Q108 K112 D113 K116 | Q108-H110 PolarHBondContact O-N 3Å; H110-K112 PolarHBondContact ND1-N 3.33Å; H110-K112 PolarHBondContact O-N 3.49Å; H110-D113 WeakPolarHBondContact CB-O 3.19Å; H110-D113 CarbonylContact O-C 3.31Å; H110-D113 VanDerWaalsContact O-C 3.31Å; H110-D113 PolarHBondContact O-N 3.46Å; H110-K116 HydrophobicContact CB-CB 3.92Å; H110-K116 PolarHBondContact N-O 3.29Å |
| 111 | P | 94.7 | Very high | 94.5 | Very high | 108 Ų | 108 | 51 Ų | 51 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23 | -167.4 | 22.6 | -34.3 | 0 | 0 | 0 | 114.3 | ||
| 112 | K | 94.9 | Very high | 94.8 | Very high | 198 Ų | 198 | 51.1 Ų | 51.1 | 86% | 0.861 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -13.5 | 177.1 | -57.4 | -177.7 | 178.1 | -179.3 | 0 | 114 | H110 | H110-K112 PolarHBondContact ND1-N 3.33Å; H110-K112 PolarHBondContact O-N 3.49Å |
| 113 | D | 94.7 | Very high | 94.8 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 97 | -170.5 | -176.3 | -4.2 | 0 | 0 | 0 | 109.9 | H110 S115 K116 | H110-D113 WeakPolarHBondContact CB-O 3.19Å; H110-D113 CarbonylContact O-C 3.31Å; H110-D113 VanDerWaalsContact O-C 3.31Å; H110-D113 PolarHBondContact O-N 3.46Å; D113-S115 PolarHBondContact O-N 3.23Å; D113-S115 VanDerWaalsContact O-N 3.15Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 3.47Å; D113-S115 VanDerWaalsContact OD1-N 3.13Å; D113-S115 PolarHBondContact OD1-OG 3.49Å; D113-S115 PolarHBondContact OD2-OG 3.42Å; D113-K116 PolarHBondContact O-N 3.11Å; D113-K116 VanDerWaalsContact O-N 3.09Å; D113-K116 WeakPolarHBondContact OD2-CD 3.33Å; D113-K116 VanDerWaalsContact OD2-CE 3.25Å; D113-K116 WeakPolarHBondContact OD2-CE 3.49Å; D113-K116 IonicContact OD2-NZ 3.9Å; D113-K116 PolarHBondContact OD2-NZ 2.8Å |
| 114 | S | 92.9 | Very high | 94.6 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -12.2 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | K116 | S114-K116 PolarHBondContact O-N 3.26Å |
| 115 | S | 94.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -8.6 | 173.4 | 75 | 0 | 0 | 0 | 0 | 113 | H8 D9 D113 | H8-S115 CarbonylContact C-O 3.42Å; D9-S115 PolarHBondContact N-O 3.4Å; D9-S115 VanDerWaalsContact N-O 3.1Å; D113-S115 PolarHBondContact O-N 3.23Å; D113-S115 VanDerWaalsContact O-N 3.15Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 3.47Å; D113-S115 VanDerWaalsContact OD1-N 3.13Å; D113-S115 PolarHBondContact OD1-OG 3.49Å; D113-S115 PolarHBondContact OD2-OG 3.42Å |
| 116 | K | 95.8 | Very high | 93.6 | Very high | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 156.3 | 179.6 | -64.5 | -177.7 | -176.8 | 128.8 | 0 | 110.6 | V5 S6 H8 H110 D113 S114 | V5-K116 HydrophobicContact CG1-CB 4.15Å; V5-K116 HydrophobicContact CG1-CD 4.2Å; S6-K116 WeakPolarHBondContact O-CA 3.3Å; S6-K116 VanDerWaalsContact O-CB 3.28Å; S6-K116 WeakPolarHBondContact O-CB 3.43Å; H8-K116 CarbonylContact O-C 3.5Å; H110-K116 HydrophobicContact CB-CB 3.92Å; H110-K116 PolarHBondContact N-O 3.29Å; D113-K116 PolarHBondContact O-N 3.11Å; D113-K116 VanDerWaalsContact O-N 3.09Å; D113-K116 WeakPolarHBondContact OD2-CD 3.33Å; D113-K116 VanDerWaalsContact OD2-CE 3.25Å; D113-K116 WeakPolarHBondContact OD2-CE 3.49Å; D113-K116 IonicContact OD2-NZ 3.9Å; D113-K116 PolarHBondContact OD2-NZ 2.8Å; S114-K116 PolarHBondContact O-N 3.26Å |
| 117 | T | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.9 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | V5 S6 H8 D9 W10 V13 Q108 M119 | V5-T117 WeakPolarHBondContact CA-O 3.36Å; S6-T117 PolarHBondContact N-O 3.38Å; S6-T117 PolarHBondContact O-N 3.43Å; S6-T117 VanDerWaalsContact O-N 3.08Å; H8-T117 PolarHBondContact O-N 2.74Å; H8-T117 VanDerWaalsContact O-N 3.1Å; H8-T117 PolarHBondContact O-OG1 3.12Å; D9-T117 PolarHBondContact O-OG1 3.16Å; W10-T117 WeakPolarHBondContact CA-OG1 3.49Å; W10-T117 PolarHBondContact N-OG1 2.98Å; W10-T117 VanDerWaalsContact N-OG1 3.17Å; V13-T117 HydrophobicContact CB-CG2 4.13Å; V13-T117 HydrophobicContact CG1-CG2 4.04Å; V13-T117 HydrophobicContact CG2-CG2 4.3Å; V13-T117 WeakPolarHBondContact CG2-OG1 3.08Å; Q108-T117 WeakPolarHBondContact O-CG2 3.37Å; T117-M119 HydrophobicContact CG2-CG 4.25Å |
| 118 | L | 95.8 | Very high | 92 | Very high | 29 Ų | 29 | 57 Ų | 57 | 15% | 0.152 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.5 | 168.5 | -178.1 | 66.3 | 0 | 0 | 0 | 108.9 | I3 V5 Q108 T120 | I3-L118 HydrophobicContact CG2-CD1 3.58Å; V5-L118 HydrophobicContact CG2-CD1 3.95Å; Q108-L118 HydrophobicContact CG-CB 4.2Å; Q108-L118 HydrophobicContact CG-CD2 4.48Å; Q108-L118 PolarHBondContact N-O 3.33Å; Q108-L118 VanDerWaalsContact N-O 3.08Å; Q108-L118 PolarHBondContact O-N 2.84Å; L118-T120 HydrophobicContact CD2-CG2 4.34Å; L118-T120 HydrophobicContact CG-CG2 4.15Å |
| 119 | M | 94.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.6 | 176.7 | -50.1 | -176.9 | -68.4 | 0 | 0 | 107.9 | C4 V13 N106 Y107 T117 C152 M155 | C4-M119 HydrophobicContact CB-CB 4.41Å; C4-M119 HydrophobicContact CB-CE 3.85Å; C4-M119 PolarHBondContact N-O 3.16Å; C4-M119 WeakPolarHBondContact O-CA 3.43Å; C4-M119 WeakPolarHBondContact O-CB 3.46Å; C4-M119 PolarHBondContact O-N 3.16Å; C4-M119 VanDerWaalsContact O-O 3.14Å; C4-M119 WeakPolarHBondContact SG-CE 3.48Å; V13-M119 HydrophobicContact CG1-SD 3.99Å; N106-M119 CarbonylContact O-C 3.58Å; N106-M119 WeakPolarHBondContact O-CA 3.37Å; Y107-M119 HydrophobicContact CD1-CB 4.16Å; Y107-M119 HydrophobicContact CD1-CG 3.55Å; Y107-M119 HydrophobicContact CD1-SD 3.84Å; Y107-M119 HydrophobicContact CE1-CB 4.22Å; Y107-M119 HydrophobicContact CE1-CG 3.8Å; Y107-M119 HydrophobicContact CE1-SD 3.57Å; Y107-M119 VanDerWaalsContact CE1-SD 3.57Å; T117-M119 HydrophobicContact CG2-CG 4.25Å; M119-C152 HydrophobicContact CE-CB 4.49Å; M119-M155 HydrophobicContact SD-CG 4.46Å |
| 120 | T | 94.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | 174.8 | 60 | 0 | 0 | 0 | 0 | 109.4 | M1 I3 L105 N106 L118 | M1-T120 HydrophobicContact CE-CG2 4.19Å; I3-T120 HydrophobicContact CG1-CG2 4.19Å; I3-T120 HydrophobicContact CG2-CG2 4.42Å; L105-T120 CarbonylContact C-O 3.27Å; L105-T120 VanDerWaalsContact CA-O 3.32Å; L105-T120 WeakPolarHBondContact CA-O 3.13Å; N106-T120 PolarHBondContact N-O 2.96Å; N106-T120 PolarHBondContact O-N 2.89Å; L118-T120 HydrophobicContact CD2-CG2 4.34Å; L118-T120 HydrophobicContact CG-CG2 4.15Å |
| 121 | Q | 93.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.6 | -178.2 | -177.8 | -178.9 | -13 | 0 | 0 | 108.9 | M1 F2 E103 T104 L105 F144 A148 | M1-Q121 CarbonylContact C-O 3.51Å; M1-Q121 WeakPolarHBondContact CA-O 3.47Å; F2-Q121 HydrophobicContact CB-CB 4.44Å; F2-Q121 PolarHBondContact N-O 3.4Å; F2-Q121 PolarHBondContact O-N 2.89Å; E103-Q121 HydrophobicContact CG-CG 4.27Å; E103-Q121 WeakPolarHBondContact OE1-CG 3.44Å; E103-Q121 PolarHBondContact OE1-NE2 3.15Å; T104-Q121 CarbonylContact O-C 3.58Å; T104-Q121 WeakPolarHBondContact O-CA 3.41Å; L105-Q121 HydrophobicContact CD2-CG 4.5Å; L105-Q121 HydrophobicContact CG-CB 4.4Å; L105-Q121 HydrophobicContact CG-CG 4.06Å; Q121-F144 HydrophobicContact CG-CE2 3.95Å; Q121-F144 HydrophobicContact CG-CZ 3.99Å; Q121-A148 VanDerWaalsContact OE1-CA 3.28Å |
| 122 | T | 92.8 | Very high | 87.3 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.3 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | M1 E103 T104 | M1-T122 HydrophobicContact CB-CG2 4.07Å; M1-T122 HydrophobicContact CE-CG2 4.13Å; M1-T122 HydrophobicContact CG-CG2 3.76Å; M1-T122 HydrophobicContact SD-CG2 4.28Å; E103-T122 CarbonylContact C-O 3.58Å; E103-T122 WeakPolarHBondContact CA-O 3.48Å; T104-T122 WeakPolarHBondContact CB-OG1 3.4Å; T104-T122 PolarHBondContact N-O 2.87Å; T104-T122 PolarHBondContact O-N 2.61Å; T104-T122 PolarHBondContact O-OG1 3.29Å |
| 123 | A | 90.7 | Very high | 86.4 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E102 F144 | E102-A123 CarbonylContact O-C 3.51Å; E102-A123 VanDerWaalsContact O-CA 3.25Å; E102-A123 WeakPolarHBondContact O-CA 3.39Å; A123-F144 HydrophobicContact CB-CD1 4.38Å; A123-F144 HydrophobicContact CB-CD2 3.27Å; A123-F144 HydrophobicContact CB-CE1 4.26Å; A123-F144 HydrophobicContact CB-CE2 3.13Å; A123-F144 HydrophobicContact CB-CG 3.92Å; A123-F144 HydrophobicContact CB-CZ 3.67Å |
| 124 | N | 88.2 | Confident | 85.6 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | 168.6 | -64.9 | -30.1 | 0 | 0 | 0 | 107.1 | E102 | E102-N124 PolarHBondContact N-O 3.46Å; E102-N124 PolarHBondContact O-N 3.42Å |
| 125 | V | 84.4 | Confident | 85 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.1 | -180 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | C100 V101 V127 I140 | C100-V125 WeakPolarHBondContact O-CA 3.48Å; V101-V125 HydrophobicContact CG1-CG2 4.5Å; V101-V125 HydrophobicContact CG2-CG2 4.48Å; V125-V127 HydrophobicContact CG1-CG2 4.02Å; V125-I140 HydrophobicContact CB-CG2 4.22Å; V125-I140 HydrophobicContact CG1-CB 4.02Å; V125-I140 HydrophobicContact CG1-CD1 3.71Å; V125-I140 HydrophobicContact CG1-CG1 4.46Å; V125-I140 HydrophobicContact CG1-CG2 3.57Å; V125-I140 HydrophobicContact CG2-CG2 3.56Å |
| 126 | S | 83.2 | Confident | 84.1 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.1 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 108.6 | V99 C100 Y128 | V99-S126 CarbonylContact C-O 3.52Å; V99-S126 WeakPolarHBondContact CA-O 3.31Å; C100-S126 PolarHBondContact N-O 3.38Å; C100-S126 PolarHBondContact O-N 2.83Å; S126-Y128 WeakPolarHBondContact CB-OH 3.45Å |
| 127 | V | 79.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.9 | 179.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | F98 V99 V125 V130 I133 M136 E137 I140 | F98-V127 CarbonylContact O-C 3.5Å; F98-V127 VanDerWaalsContact O-CA 3.32Å; F98-V127 WeakPolarHBondContact O-CA 3.31Å; V99-V127 HydrophobicContact CG2-CG2 4.48Å; V125-V127 HydrophobicContact CG1-CG2 4.02Å; V127-V130 HydrophobicContact CG1-CG2 3.17Å; V127-I133 HydrophobicContact CB-CG2 4.25Å; V127-I133 HydrophobicContact CG1-CG2 4.18Å; V127-M136 HydrophobicContact CG1-CB 4.43Å; V127-E137 HydrophobicContact CB-CG 4.46Å; V127-E137 HydrophobicContact CG2-CG 3.97Å; V127-I140 HydrophobicContact CG2-CD1 3.86Å |
| 128 | Y | 81.3 | Confident | 82.7 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | trans | -127.2 | 135.5 | -174.6 | -55.8 | -76.2 | 0 | 0 | 0 | 110.9 | F98 S126 V130 | F98-Y128 WeakPolarHBondContact CA-O 3.45Å; F98-Y128 PolarHBondContact O-N 3.48Å; S126-Y128 WeakPolarHBondContact CB-OH 3.45Å; Y128-V130 PolarHBondContact O-N 2.79Å | ||
| 129 | G | 73.6 | Confident | 82 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 73% | 0.732 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 63.4 | 13.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 130 | V | 69.6 | Low | 81.2 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | trans | -98.8 | 136.3 | 175.9 | -99.3 | 0 | 0 | 0 | 0 | 111.7 | L64 I65 F98 V127 Y128 I133 | L64-V130 HydrophobicContact CD2-CG1 4.21Å; L64-V130 HydrophobicContact CG-CG1 3.91Å; I65-V130 HydrophobicContact CG2-CG1 3.67Å; F98-V130 HydrophobicContact CD1-CG1 4.07Å; V127-V130 HydrophobicContact CG1-CG2 3.17Å; Y128-V130 PolarHBondContact O-N 2.79Å; V130-I133 WeakPolarHBondContact O-CG1 3.29Å | ||
| 131 | P | 68.7 | Low | 80.6 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 146.5 | 161.7 | -18.1 | 28.9 | 0 | 0 | 0 | 110.2 | L64 | L64-P131 HydrophobicContact CD1-CB 4.45Å; L64-P131 HydrophobicContact CD1-CG 4.03Å |
| 132 | L | 74.3 | Confident | 80.2 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 63% | 0.634 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 39.1 | 178.2 | -49.4 | 168.9 | 0 | 0 | 0 | 114.5 | S134 Y135 M136 | L132-S134 PolarHBondContact O-N 2.75Å; L132-S134 VanDerWaalsContact O-N 3.14Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 2.81Å; L132-M136 PolarHBondContact O-N 2.83Å; L132-M136 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 76.1 | Confident | 79.6 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -44.1 | -48.8 | 178.5 | -60 | -178 | 0 | 0 | 0 | 112.1 | V127 V130 Y135 M136 E137 | V127-I133 HydrophobicContact CB-CG2 4.25Å; V127-I133 HydrophobicContact CG1-CG2 4.18Å; V130-I133 WeakPolarHBondContact O-CG1 3.29Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; I133-Y135 PolarHBondContact O-N 3.42Å; I133-M136 WeakPolarHBondContact O-CB 3.45Å; I133-M136 PolarHBondContact O-N 2.86Å; I133-M136 VanDerWaalsContact O-N 3.09Å; I133-E137 HydrophobicContact CG2-CG 4.08Å; I133-E137 WeakPolarHBondContact CG2-OE1 3.38Å; I133-E137 WeakPolarHBondContact O-CG 3.47Å; I133-E137 PolarHBondContact O-N 3.08Å |
| 134 | S | 77.9 | Confident | 79.2 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | -177.9 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | L132 N138 | L132-S134 PolarHBondContact O-N 2.75Å; L132-S134 VanDerWaalsContact O-N 3.14Å; S134-N138 WeakPolarHBondContact O-CB 3.41Å; S134-N138 VanDerWaalsContact O-CG 3.23Å; S134-N138 PolarHBondContact O-N 2.94Å; S134-N138 PolarHBondContact O-ND2 2.84Å; S134-N138 VanDerWaalsContact O-ND2 3.09Å |
| 135 | Y | 79.8 | Confident | 78.9 | Confident | 131 Ų | 131 | 64.7 Ų | 64.7 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 175.6 | -170.1 | -81.7 | 0 | 0 | 0 | 110.9 | W60 L132 I133 N138 M139 | W60-Y135 AromaticContact CH2-CD1 3.6Å; W60-Y135 HydrophobicContact CH2-CD1 3.6Å; W60-Y135 AromaticContact CH2-CE1 3.32Å; W60-Y135 HydrophobicContact CH2-CE1 3.32Å; W60-Y135 HydrophobicContact CZ2-CD1 4.28Å; W60-Y135 AromaticContact CZ2-CE1 3.53Å; W60-Y135 HydrophobicContact CZ2-CE1 3.53Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 2.81Å; I133-Y135 VanDerWaalsContact C-N 3.31Å; I133-Y135 PolarHBondContact O-N 3.42Å; Y135-N138 PolarHBondContact O-N 3.4Å; Y135-M139 WeakPolarHBondContact O-CB 3.29Å; Y135-M139 PolarHBondContact O-N 3.01Å |
| 136 | M | 77 | Confident | 78.9 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.9 | -69.6 | -75.9 | 81.5 | 0 | 0 | 112 | W60 A61 L64 I65 V127 L132 I133 M139 I140 | W60-M136 HydrophobicContact CH2-CE 3.32Å; W60-M136 HydrophobicContact CZ2-CE 4.35Å; W60-M136 HydrophobicContact CZ3-CE 3.71Å; A61-M136 HydrophobicContact CB-CE 4.37Å; L64-M136 HydrophobicContact CD2-SD 4.43Å; I65-M136 HydrophobicContact CG2-SD 4.13Å; V127-M136 HydrophobicContact CG1-CB 4.43Å; L132-M136 PolarHBondContact O-N 2.83Å; L132-M136 VanDerWaalsContact O-N 3.16Å; I133-M136 WeakPolarHBondContact O-CB 3.45Å; I133-M136 PolarHBondContact O-N 2.86Å; I133-M136 VanDerWaalsContact O-N 3.09Å; M136-M139 HydrophobicContact CE-CB 4.4Å; M136-M139 HydrophobicContact CE-CE 4.42Å; M136-M139 HydrophobicContact CE-SD 3.73Å; M136-M139 PolarHBondContact O-N 2.61Å; M136-I140 WeakPolarHBondContact O-CD1 3.33Å; M136-I140 VanDerWaalsContact O-CG1 3.23Å; M136-I140 WeakPolarHBondContact O-CG1 3.37Å; M136-I140 PolarHBondContact O-N 3.32Å |
| 137 | E | 78.9 | Confident | 78.9 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.9 | -50 | 174.1 | -74.7 | 176.8 | 168.8 | 0 | 0 | 111.1 | V127 I133 M139 I140 L141 | V127-E137 HydrophobicContact CB-CG 4.46Å; V127-E137 HydrophobicContact CG2-CG 3.97Å; I133-E137 HydrophobicContact CG2-CG 4.08Å; I133-E137 WeakPolarHBondContact CG2-OE1 3.38Å; I133-E137 WeakPolarHBondContact O-CG 3.47Å; I133-E137 PolarHBondContact O-N 3.08Å; E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 PolarHBondContact O-N 3.25Å; E137-I140 PolarHBondContact O-N 2.69Å; E137-L141 WeakPolarHBondContact O-CB 3.38Å; E137-L141 VanDerWaalsContact O-CG 3.22Å; E137-L141 WeakPolarHBondContact O-CG 3.38Å; E137-L141 PolarHBondContact O-N 3.32Å |
| 138 | N | 82.8 | Confident | 79.1 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 177.6 | -76.4 | -31.5 | 0 | 0 | 0 | 112.4 | S134 Y135 S142 | S134-N138 WeakPolarHBondContact O-CB 3.41Å; S134-N138 VanDerWaalsContact O-CG 3.23Å; S134-N138 PolarHBondContact O-N 2.94Å; S134-N138 PolarHBondContact O-ND2 2.84Å; S134-N138 VanDerWaalsContact O-ND2 3.09Å; Y135-N138 PolarHBondContact O-N 3.4Å; N138-S142 VanDerWaalsContact O-CB 3.31Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.21Å |
| 139 | M | 80.7 | Confident | 79.3 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.9 | -173 | -179.9 | 117.9 | 0 | 0 | 111 | I57 Y135 M136 E137 S142 M143 | I57-M139 HydrophobicContact CG2-CE 4.22Å; Y135-M139 WeakPolarHBondContact O-CB 3.29Å; Y135-M139 PolarHBondContact O-N 3.01Å; M136-M139 HydrophobicContact CE-CB 4.4Å; M136-M139 HydrophobicContact CE-CE 4.42Å; M136-M139 HydrophobicContact CE-SD 3.73Å; M136-M139 PolarHBondContact O-N 2.61Å; E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 PolarHBondContact O-N 3.25Å; M139-S142 PolarHBondContact O-N 3.09Å; M139-M143 HydrophobicContact CE-SD 3.87Å; M139-M143 HydrophobicContact CG-SD 4.29Å; M139-M143 WeakPolarHBondContact O-CG 3.44Å; M139-M143 PolarHBondContact O-N 3.16Å |
| 140 | I | 79.4 | Confident | 79.9 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -41 | -179.2 | -61 | 161 | 0 | 0 | 0 | 110.8 | V99 V101 V125 V127 M136 E137 S142 M143 F144 | V99-I140 HydrophobicContact CG1-CD1 3.57Å; V99-I140 HydrophobicContact CG2-CD1 4.19Å; V101-I140 HydrophobicContact CG2-CG2 4.17Å; V125-I140 HydrophobicContact CB-CG2 4.22Å; V125-I140 HydrophobicContact CG1-CB 4.02Å; V125-I140 HydrophobicContact CG1-CD1 3.71Å; V125-I140 HydrophobicContact CG1-CG1 4.46Å; V125-I140 HydrophobicContact CG1-CG2 3.57Å; V125-I140 HydrophobicContact CG2-CG2 3.56Å; V127-I140 HydrophobicContact CG2-CD1 3.86Å; M136-I140 WeakPolarHBondContact O-CD1 3.33Å; M136-I140 VanDerWaalsContact O-CG1 3.23Å; M136-I140 WeakPolarHBondContact O-CG1 3.37Å; M136-I140 PolarHBondContact O-N 3.32Å; E137-I140 PolarHBondContact O-N 2.69Å; I140-S142 VanDerWaalsContact C-N 3.32Å; I140-S142 PolarHBondContact O-N 3.17Å; I140-M143 PolarHBondContact O-N 3.49Å; I140-F144 WeakPolarHBondContact O-CB 3.45Å; I140-F144 PolarHBondContact O-N 3.37Å |
| 141 | L | 80.9 | Confident | 80.6 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 175.9 | -72.7 | 171.8 | 0 | 0 | 0 | 112 | E137 F144 S145 | E137-L141 WeakPolarHBondContact O-CB 3.38Å; E137-L141 VanDerWaalsContact O-CG 3.22Å; E137-L141 WeakPolarHBondContact O-CG 3.38Å; E137-L141 PolarHBondContact O-N 3.32Å; L141-F144 PolarHBondContact O-N 2.88Å; L141-S145 WeakPolarHBondContact O-CB 3.36Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 3.01Å |
| 142 | S | 84.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | N138 M139 I140 F144 S145 F146 | N138-S142 VanDerWaalsContact O-CB 3.31Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 3.14Å; N138-S142 PolarHBondContact O-OG 3.21Å; M139-S142 PolarHBondContact O-N 3.09Å; I140-S142 VanDerWaalsContact C-N 3.32Å; I140-S142 PolarHBondContact O-N 3.17Å; S142-F144 PolarHBondContact O-N 3.41Å; S142-S145 PolarHBondContact O-N 3.36Å; S142-F146 WeakPolarHBondContact O-CB 3.45Å; S142-F146 PolarHBondContact O-N 3.02Å |
| 143 | M | 80.1 | Confident | 82.2 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 175.3 | -71 | 174.7 | 86.8 | 0 | 0 | 111.6 | W55 M139 I140 F146 N147 | W55-M143 HydrophobicContact CE3-CE 3.7Å; W55-M143 HydrophobicContact CZ3-CE 3.83Å; M139-M143 HydrophobicContact CE-SD 3.87Å; M139-M143 HydrophobicContact CG-SD 4.29Å; M139-M143 WeakPolarHBondContact O-CG 3.44Å; M139-M143 PolarHBondContact O-N 3.16Å; I140-M143 PolarHBondContact O-N 3.49Å; M143-F146 PolarHBondContact O-N 3.22Å; M143-N147 WeakPolarHBondContact O-CB 3.29Å; M143-N147 PolarHBondContact O-N 3Å; M143-N147 PolarHBondContact O-ND2 3.22Å; M143-N147 VanDerWaalsContact O-ND2 3.16Å |
| 144 | F | 81.7 | Confident | 82.8 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.5 | 172.5 | -102.7 | 0 | 0 | 0 | 111.5 | E103 Q121 A123 I140 L141 S142 F146 N147 A148 | E103-F144 HydrophobicContact CG-CE2 4.39Å; Q121-F144 HydrophobicContact CG-CE2 3.95Å; Q121-F144 HydrophobicContact CG-CZ 3.99Å; A123-F144 HydrophobicContact CB-CD1 4.38Å; A123-F144 HydrophobicContact CB-CD2 3.27Å; A123-F144 HydrophobicContact CB-CE1 4.26Å; A123-F144 HydrophobicContact CB-CE2 3.13Å; A123-F144 HydrophobicContact CB-CG 3.92Å; A123-F144 HydrophobicContact CB-CZ 3.67Å; I140-F144 WeakPolarHBondContact O-CB 3.45Å; I140-F144 PolarHBondContact O-N 3.37Å; L141-F144 PolarHBondContact O-N 2.88Å; S142-F144 PolarHBondContact O-N 3.41Å; F144-F146 VanDerWaalsContact C-N 3.33Å; F144-F146 PolarHBondContact O-N 3.41Å; F144-N147 PolarHBondContact O-N 3.04Å; F144-N147 VanDerWaalsContact O-N 3.13Å; F144-A148 WeakPolarHBondContact O-CB 3.45Å; F144-A148 PolarHBondContact O-N 3.47Å |
| 145 | S | 83.3 | Confident | 83.3 | Confident | 69 Ų | 69 | 53.2 Ų | 53.2 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | -178.5 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L141 S142 A148 Q149 | L141-S145 WeakPolarHBondContact O-CB 3.36Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 3.01Å; S142-S145 PolarHBondContact O-N 3.36Å; S145-A148 PolarHBondContact O-N 3.26Å; S145-Q149 PolarHBondContact O-N 2.89Å |
| 146 | F | 83.4 | Confident | 83.8 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.6 | -175.6 | -109.1 | 0 | 0 | 0 | 112.3 | S142 M143 F144 A148 Q149 K150 | S142-F146 WeakPolarHBondContact O-CB 3.45Å; S142-F146 PolarHBondContact O-N 3.02Å; M143-F146 PolarHBondContact O-N 3.22Å; F144-F146 VanDerWaalsContact C-N 3.33Å; F144-F146 PolarHBondContact O-N 3.41Å; F146-A148 VanDerWaalsContact C-N 3.34Å; F146-A148 PolarHBondContact O-N 3.35Å; F146-Q149 PolarHBondContact O-N 3.43Å; F146-K150 HydrophobicContact CD1-CD 3.95Å; F146-K150 HydrophobicContact CE1-CD 3.51Å; F146-K150 HydrophobicContact CE1-CG 4.35Å; F146-K150 HydrophobicContact CZ-CD 3.93Å; F146-K150 HydrophobicContact CZ-CG 4.46Å; F146-K150 WeakPolarHBondContact O-CB 3.01Å; F146-K150 PolarHBondContact O-N 3.45Å |
| 147 | N | 83 | Confident | 84.5 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.2 | -31.2 | 179.6 | -78 | -24.9 | 0 | 0 | 0 | 113.4 | K26 M143 F144 G151 | K26-N147 PolarHBondContact NZ-O 3.28Å; M143-N147 WeakPolarHBondContact O-CB 3.29Å; M143-N147 PolarHBondContact O-N 3Å; M143-N147 PolarHBondContact O-ND2 3.22Å; M143-N147 VanDerWaalsContact O-ND2 3.16Å; F144-N147 PolarHBondContact O-N 3.04Å; F144-N147 VanDerWaalsContact O-N 3.13Å; N147-G151 PolarHBondContact O-N 3.46Å |
| 148 | A | 83.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F2 Q121 F144 S145 F146 K150 G151 C152 | F2-A148 HydrophobicContact CB-CB 3.87Å; F2-A148 HydrophobicContact CD1-CB 3.72Å; F2-A148 HydrophobicContact CD2-CB 4.3Å; F2-A148 HydrophobicContact CE1-CB 4.31Å; F2-A148 HydrophobicContact CG-CB 3.71Å; Q121-A148 VanDerWaalsContact OE1-CA 3.28Å; F144-A148 WeakPolarHBondContact O-CB 3.45Å; F144-A148 PolarHBondContact O-N 3.47Å; S145-A148 PolarHBondContact O-N 3.26Å; F146-A148 VanDerWaalsContact C-N 3.34Å; F146-A148 PolarHBondContact O-N 3.35Å; A148-K150 PolarHBondContact O-N 3.2Å; A148-G151 WeakPolarHBondContact O-CA 2.82Å; A148-G151 PolarHBondContact O-N 3.39Å; A148-C152 PolarHBondContact O-N 2.88Å |
| 149 | Q | 85.2 | Confident | 85.6 | Confident | 111 Ų | 111 | 45.1 Ų | 45.1 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.4 | -169.9 | 178.7 | 18.9 | 0 | 0 | 111.9 | S145 F146 G151 C152 Q153 | S145-Q149 PolarHBondContact O-N 2.89Å; F146-Q149 PolarHBondContact O-N 3.43Å; Q149-G151 PolarHBondContact O-N 2.94Å; Q149-C152 PolarHBondContact O-N 3.35Å; Q149-Q153 PolarHBondContact O-N 2.84Å |
| 150 | K | 86.6 | Confident | 86.1 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -34.5 | 172.4 | -83.4 | -173.3 | 159.2 | -167.8 | 0 | 112.4 | L25 F146 A148 C152 Q153 A154 | L25-K150 WeakPolarHBondContact O-CE 3.43Å; L25-K150 PolarHBondContact O-NZ 2.77Å; L25-K150 VanDerWaalsContact O-NZ 3.09Å; F146-K150 HydrophobicContact CD1-CD 3.95Å; F146-K150 HydrophobicContact CE1-CD 3.51Å; F146-K150 HydrophobicContact CE1-CG 4.35Å; F146-K150 HydrophobicContact CZ-CD 3.93Å; F146-K150 HydrophobicContact CZ-CG 4.46Å; F146-K150 WeakPolarHBondContact O-CB 3.01Å; F146-K150 PolarHBondContact O-N 3.45Å; A148-K150 PolarHBondContact O-N 3.2Å; K150-C152 VanDerWaalsContact C-N 3.32Å; K150-C152 PolarHBondContact O-N 2.92Å; K150-Q153 PolarHBondContact O-N 2.95Å; K150-A154 WeakPolarHBondContact O-CB 3.2Å; K150-A154 PolarHBondContact O-N 3.4Å |
| 151 | G | 84.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N147 A148 Q149 M155 | N147-G151 PolarHBondContact O-N 3.46Å; A148-G151 WeakPolarHBondContact O-CA 2.82Å; A148-G151 PolarHBondContact O-N 3.39Å; Q149-G151 PolarHBondContact O-N 2.94Å; G151-M155 PolarHBondContact O-N 3.35Å |
| 152 | C | 86.4 | Confident | 87.1 | Confident | 25 Ų | 25 | 49 Ų | 49 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -45.6 | 176 | -70.9 | 0 | 0 | 0 | 0 | 113 | C4 M119 A148 Q149 K150 A154 M155 E156 | C4-C152 HydrophobicContact CB-CB 4.38Å; C4-C152 WeakPolarHBondContact CB-SG 3.41Å; C4-C152 WeakPolarHBondContact SG-CB 3.43Å; C4-C152 CovalentContact SG-SG 2.03Å; C4-C152 PolarHBondContact SG-SG 3.44Å; M119-C152 HydrophobicContact CE-CB 4.49Å; A148-C152 PolarHBondContact O-N 2.88Å; Q149-C152 PolarHBondContact O-N 3.35Å; K150-C152 VanDerWaalsContact C-N 3.32Å; K150-C152 PolarHBondContact O-N 2.92Å; C152-A154 VanDerWaalsContact C-N 3.31Å; C152-A154 PolarHBondContact O-N 3.4Å; C152-M155 WeakPolarHBondContact O-CB 3.31Å; C152-M155 PolarHBondContact O-N 3.17Å; C152-E156 PolarHBondContact O-N 3.48Å |
| 153 | Q | 89.3 | Confident | 87.4 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 46% | 0.458 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.6 | -66.2 | 175.9 | -10.7 | 0 | 0 | 111.6 | L25 Q149 K150 M155 E156 W157 | L25-Q153 HydrophobicContact CD1-CB 3.82Å; Q149-Q153 PolarHBondContact O-N 2.84Å; K150-Q153 PolarHBondContact O-N 2.95Å; Q153-M155 VanDerWaalsContact C-N 3.35Å; Q153-E156 PolarHBondContact O-N 3.11Å; Q153-W157 WeakPolarHBondContact O-CB 3.37Å; Q153-W157 PolarHBondContact O-N 2.95Å |
| 154 | A | 88 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L25 K150 C152 E156 W157 V158 | L25-A154 HydrophobicContact CB-CB 4.31Å; L25-A154 HydrophobicContact CD1-CB 4.26Å; K150-A154 WeakPolarHBondContact O-CB 3.2Å; K150-A154 PolarHBondContact O-N 3.4Å; C152-A154 VanDerWaalsContact C-N 3.31Å; C152-A154 PolarHBondContact O-N 3.4Å; A154-E156 PolarHBondContact O-N 2.94Å; A154-W157 PolarHBondContact O-N 2.9Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.32Å; A154-V158 PolarHBondContact O-N 2.87Å |
| 155 | M | 89.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 177.2 | -162.9 | 62.5 | 63.8 | 0 | 0 | 111.5 | V13 A16 A17 K20 Y107 M119 G151 C152 Q153 W157 V158 I159 | V13-M155 HydrophobicContact CG1-CG 4.27Å; A16-M155 HydrophobicContact CB-SD 3.66Å; A17-M155 HydrophobicContact CB-CE 3.76Å; A17-M155 HydrophobicContact CB-SD 4.11Å; A17-M155 PolarHBondContact N-SD 2.81Å; A17-M155 VanDerWaalsContact N-SD 3.43Å; K20-M155 HydrophobicContact CD-CE 4.07Å; Y107-M155 HydrophobicContact CE1-CE 4.05Å; M119-M155 HydrophobicContact SD-CG 4.46Å; G151-M155 PolarHBondContact O-N 3.35Å; C152-M155 WeakPolarHBondContact O-CB 3.31Å; C152-M155 PolarHBondContact O-N 3.17Å; Q153-M155 VanDerWaalsContact C-N 3.35Å; M155-W157 VanDerWaalsContact C-N 3.32Å; M155-W157 PolarHBondContact O-N 2.67Å; M155-V158 PolarHBondContact O-N 3.25Å; M155-I159 HydrophobicContact CG-CD1 4.09Å; M155-I159 VanDerWaalsContact O-CG1 3.29Å; M155-I159 WeakPolarHBondContact O-CG1 3.33Å; M155-I159 PolarHBondContact O-N 3.37Å |
| 156 | E | 90.2 | Very high | 88.6 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 178.9 | -179.7 | 60.7 | -159.9 | 0 | 0 | 111.9 | H8 C152 Q153 A154 I159 R160 | H8-E156 IonicContact CD2-OE2 3.25Å; H8-E156 PolarHBondContact CD2-OE2 3.23Å; H8-E156 IonicContact CE1-OE2 3.01Å; H8-E156 IonicContact NE2-OE1 2.74Å; H8-E156 PolarHBondContact NE2-OE1 2.96Å; H8-E156 IonicContact NE2-OE2 2.94Å; H8-E156 PolarHBondContact NE2-OE2 2.96Å; C152-E156 PolarHBondContact O-N 3.48Å; Q153-E156 PolarHBondContact O-N 3.11Å; A154-E156 PolarHBondContact O-N 2.94Å; E156-I159 PolarHBondContact O-N 3.14Å; E156-R160 WeakPolarHBondContact O-CG 3.47Å; E156-R160 PolarHBondContact O-N 2.95Å; E156-R160 IonicContact OE1-CZ 3.98Å; E156-R160 VanDerWaalsContact OE1-CZ 3.28Å; E156-R160 IonicContact OE1-NE 2.79Å; E156-R160 PolarHBondContact OE1-NE 3.36Å; E156-R160 IonicContact OE1-NH2 2.92Å; E156-R160 PolarHBondContact OE1-NH2 2.96Å |
| 157 | W | 91.4 | Very high | 89.1 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 35% | 0.345 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.4 | -178.1 | 88.3 | 0 | 0 | 0 | 112.1 | N23 P24 L25 Q153 A154 M155 I159 R160 N161 | N23-W157 HydrophobicContact CB-CE3 3.95Å; N23-W157 HydrophobicContact CB-CZ3 3.82Å; P24-W157 VanDerWaalsContact CD-CZ2 3.47Å; P24-W157 HydrophobicContact CG-CD2 4.32Å; P24-W157 HydrophobicContact CG-CH2 4.14Å; P24-W157 HydrophobicContact CG-CZ2 3.7Å; L25-W157 HydrophobicContact CD1-CB 4.49Å; Q153-W157 WeakPolarHBondContact O-CB 3.37Å; Q153-W157 PolarHBondContact O-N 2.95Å; A154-W157 PolarHBondContact O-N 2.9Å; M155-W157 VanDerWaalsContact C-N 3.32Å; M155-W157 PolarHBondContact O-N 2.67Å; W157-I159 PolarHBondContact O-N 3.11Å; W157-R160 PolarHBondContact O-N 2.88Å; W157-N161 WeakPolarHBondContact CH2-ND2 3.33Å; W157-N161 WeakPolarHBondContact CZ2-ND2 3.37Å; W157-N161 WeakPolarHBondContact CZ3-ND2 3.33Å; W157-N161 PolarHBondContact O-N 2.9Å; W157-N161 VanDerWaalsContact O-N 3.09Å |
| 158 | V | 92.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | A16 R19 N23 A154 M155 R160 N161 I162 | A16-V158 HydrophobicContact CB-CB 4.37Å; A16-V158 HydrophobicContact CB-CG1 3.86Å; R19-V158 HydrophobicContact CB-CG1 4.24Å; N23-V158 HydrophobicContact CB-CG2 4.47Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.32Å; A154-V158 PolarHBondContact O-N 2.87Å; M155-V158 PolarHBondContact O-N 3.25Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 2.92Å; V158-N161 PolarHBondContact O-N 3.09Å; V158-I162 HydrophobicContact CG1-CD1 3.78Å; V158-I162 HydrophobicContact CG1-CG1 4.32Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.46Å; V158-I162 PolarHBondContact O-N 3.42Å |
| 159 | I | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 177.1 | -68.8 | 166.8 | 0 | 0 | 0 | 110.9 | H8 T12 V13 A16 M155 E156 W157 N161 I162 K163 | H8-I159 HydrophobicContact CB-CD1 4.37Å; T12-I159 HydrophobicContact CG2-CG1 4.22Å; T12-I159 HydrophobicContact CG2-CG2 3.75Å; V13-I159 HydrophobicContact CG2-CD1 3.95Å; A16-I159 HydrophobicContact CB-CD1 4.22Å; A16-I159 HydrophobicContact CB-CG1 3.36Å; M155-I159 HydrophobicContact CG-CD1 4.09Å; M155-I159 VanDerWaalsContact O-CG1 3.29Å; M155-I159 WeakPolarHBondContact O-CG1 3.33Å; M155-I159 PolarHBondContact O-N 3.37Å; E156-I159 PolarHBondContact O-N 3.14Å; W157-I159 PolarHBondContact O-N 3.11Å; I159-N161 VanDerWaalsContact C-N 3.31Å; I159-N161 PolarHBondContact O-N 2.96Å; I159-I162 PolarHBondContact O-N 2.91Å; I159-K163 HydrophobicContact CG2-CD 4.38Å; I159-K163 WeakPolarHBondContact O-CG 3.45Å; I159-K163 PolarHBondContact O-N 3.41Å |
| 160 | R | 91.8 | Very high | 90.4 | Very high | 147 Ų | 147 | 65.2 Ų | 65.2 | 56% | 0.555 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 177.7 | -72.4 | 174.9 | -164.8 | 156.1 | -0 | 112.1 | E156 W157 V158 K163 K164 | E156-R160 WeakPolarHBondContact O-CG 3.47Å; E156-R160 PolarHBondContact O-N 2.95Å; E156-R160 IonicContact OE1-CZ 3.98Å; E156-R160 VanDerWaalsContact OE1-CZ 3.28Å; E156-R160 IonicContact OE1-NE 2.79Å; E156-R160 PolarHBondContact OE1-NE 3.36Å; E156-R160 IonicContact OE1-NH2 2.92Å; E156-R160 PolarHBondContact OE1-NH2 2.96Å; W157-R160 PolarHBondContact O-N 2.88Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 2.92Å; R160-K163 PolarHBondContact O-N 3.29Å; R160-K164 WeakPolarHBondContact O-CB 3.43Å; R160-K164 PolarHBondContact O-N 3.44Å |
| 161 | N | 91.1 | Very high | 90.7 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.4 | -71.3 | -14 | 0 | 0 | 0 | 112.3 | W157 V158 I159 K163 K164 E165 | W157-N161 WeakPolarHBondContact CH2-ND2 3.33Å; W157-N161 WeakPolarHBondContact CZ2-ND2 3.37Å; W157-N161 WeakPolarHBondContact CZ3-ND2 3.33Å; W157-N161 PolarHBondContact O-N 2.9Å; W157-N161 VanDerWaalsContact O-N 3.09Å; V158-N161 PolarHBondContact O-N 3.09Å; I159-N161 VanDerWaalsContact C-N 3.31Å; I159-N161 PolarHBondContact O-N 2.96Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.05Å; N161-K164 PolarHBondContact O-N 2.03Å; N161-E165 WeakPolarHBondContact O-CG 3.47Å; N161-E165 PolarHBondContact O-N 3.14Å |
| 162 | I | 90.1 | Very high | 91.2 | Very high | 34 Ų | 34 | 74.6 Ų | 74.6 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.1 | -67.4 | 170.7 | 0 | 0 | 0 | 110.8 | A16 R19 V158 I159 E165 Y166 | A16-I162 HydrophobicContact CB-CD1 4.03Å; R19-I162 HydrophobicContact CB-CD1 4.41Å; V158-I162 HydrophobicContact CG1-CD1 3.78Å; V158-I162 HydrophobicContact CG1-CG1 4.32Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.46Å; V158-I162 PolarHBondContact O-N 3.42Å; I159-I162 PolarHBondContact O-N 2.91Å; I162-E165 PolarHBondContact O-N 2.76Å; I162-Y166 PolarHBondContact O-N 2.84Å; I162-Y166 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 90.7 | Very high | 91.6 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.2 | -71.7 | -174.5 | -176.2 | -173.4 | 0 | 111.5 | H8 I159 R160 N161 E165 Y166 E167 | H8-K163 PolarHBondContact CE1-NZ 3.25Å; H8-K163 VanDerWaalsContact CE1-NZ 3.31Å; H8-K163 PolarHBondContact ND1-NZ 2.98Å; I159-K163 HydrophobicContact CG2-CD 4.38Å; I159-K163 WeakPolarHBondContact O-CG 3.45Å; I159-K163 PolarHBondContact O-N 3.41Å; R160-K163 PolarHBondContact O-N 3.29Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 PolarHBondContact O-N 3.05Å; K163-E165 PolarHBondContact O-N 2.89Å; K163-Y166 WeakPolarHBondContact O-CB 3.36Å; K163-Y166 PolarHBondContact O-N 3.01Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; K163-E167 WeakPolarHBondContact O-CG 3.47Å; K163-E167 PolarHBondContact O-N 2.88Å |
| 164 | K | 91.8 | Very high | 91.8 | Very high | 122 Ų | 122 | 79 Ų | 79 | 53% | 0.53 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.5 | -172.2 | -179.5 | 177.7 | -176.8 | 0 | 112.2 | R160 N161 Y166 E167 D168 | R160-K164 WeakPolarHBondContact O-CB 3.43Å; R160-K164 PolarHBondContact O-N 3.44Å; N161-K164 PolarHBondContact O-N 2.03Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.05Å; K164-E167 PolarHBondContact O-N 2.82Å; K164-D168 WeakPolarHBondContact O-CB 3.41Å; K164-D168 VanDerWaalsContact O-CG 3.32Å; K164-D168 PolarHBondContact O-N 2.97Å |
| 165 | E | 90.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 82.1 Ų | 82.1 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 174.6 | -76.2 | 173 | -170.8 | 0 | 0 | 111.7 | R19 N161 I162 K163 L169 | R19-E165 IonicContact CZ-OE1 3.48Å; R19-E165 IonicContact CZ-OE2 2.9Å; R19-E165 VanDerWaalsContact CZ-OE2 3.26Å; R19-E165 IonicContact NH1-OE2 2.68Å; R19-E165 PolarHBondContact NH1-OE2 2.76Å; R19-E165 VanDerWaalsContact NH2-CD 3.28Å; R19-E165 IonicContact NH2-OE1 2.78Å; R19-E165 PolarHBondContact NH2-OE1 2.85Å; R19-E165 IonicContact NH2-OE2 3.54Å; R19-E165 PolarHBondContact NH2-OE2 2.84Å; N161-E165 WeakPolarHBondContact O-CG 3.47Å; N161-E165 PolarHBondContact O-N 3.14Å; I162-E165 PolarHBondContact O-N 2.76Å; K163-E165 PolarHBondContact O-N 2.89Å; E165-L169 VanDerWaalsContact O-CB 3.3Å; E165-L169 WeakPolarHBondContact O-CB 3.43Å; E165-L169 PolarHBondContact O-N 2.97Å |
| 166 | Y | 89.8 | Confident | 92.4 | Very high | 176 Ų | 176 | 87.8 Ų | 87.8 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 177.7 | -166.9 | -92.9 | 0 | 0 | 0 | 112.2 | I162 K163 K164 L169 S170 | I162-Y166 PolarHBondContact O-N 2.84Å; I162-Y166 VanDerWaalsContact O-N 3.09Å; K163-Y166 WeakPolarHBondContact O-CB 3.36Å; K163-Y166 PolarHBondContact O-N 3.01Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.05Å; Y166-L169 PolarHBondContact O-N 2.89Å; Y166-S170 WeakPolarHBondContact O-CB 3.41Å; Y166-S170 PolarHBondContact O-N 3.13Å |
| 167 | E | 92.2 | Very high | 92.6 | Very high | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 174.9 | -72.9 | 167.8 | -172 | 0 | 0 | 111 | K163 K164 L169 S170 I171 | K163-E167 WeakPolarHBondContact O-CG 3.47Å; K163-E167 PolarHBondContact O-N 2.88Å; K164-E167 PolarHBondContact O-N 2.82Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.2Å; E167-S170 PolarHBondContact O-N 3.24Å; E167-S170 VanDerWaalsContact O-N 3.11Å; E167-S170 PolarHBondContact O-OG 3.31Å; E167-I171 WeakPolarHBondContact O-CG1 3.48Å; E167-I171 PolarHBondContact O-N 3.34Å |
| 168 | D | 93.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 40% | 0.401 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 178.2 | -72.2 | -19.9 | 0 | 0 | 0 | 111.5 | K164 K172 | K164-D168 WeakPolarHBondContact O-CB 3.41Å; K164-D168 VanDerWaalsContact O-CG 3.32Å; K164-D168 PolarHBondContact O-N 2.97Å; D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 2.86Å; D168-K172 VanDerWaalsContact O-N 3.11Å |
| 169 | L | 93.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 176 | -171.2 | 66.7 | 0 | 0 | 0 | 111.7 | E165 Y166 E167 I171 K172 L173 | E165-L169 VanDerWaalsContact O-CB 3.3Å; E165-L169 WeakPolarHBondContact O-CB 3.43Å; E165-L169 PolarHBondContact O-N 2.97Å; Y166-L169 PolarHBondContact O-N 2.89Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.2Å; L169-I171 VanDerWaalsContact C-N 3.34Å; L169-I171 PolarHBondContact O-N 3.22Å; L169-K172 PolarHBondContact O-N 3.06Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 PolarHBondContact O-N 3.27Å |
| 170 | S | 92.9 | Very high | 93 | Very high | 44 Ų | 44 | 99.3 Ų | 99.3 | 31% | 0.308 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 178.3 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | Y166 E167 N174 | Y166-S170 WeakPolarHBondContact O-CB 3.41Å; Y166-S170 PolarHBondContact O-N 3.13Å; E167-S170 PolarHBondContact O-N 3.24Å; E167-S170 VanDerWaalsContact O-N 3.11Å; E167-S170 PolarHBondContact O-OG 3.31Å; S170-N174 WeakPolarHBondContact O-CB 3.29Å; S170-N174 PolarHBondContact O-N 3.48Å; S170-N174 PolarHBondContact O-ND2 2.68Å; S170-N174 VanDerWaalsContact O-ND2 3.17Å |
| 171 | I | 94 | Very high | 93.3 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | 176.1 | -69.1 | 166 | 0 | 0 | 0 | 110.1 | E167 L169 N174 S175 | E167-I171 WeakPolarHBondContact O-CG1 3.48Å; E167-I171 PolarHBondContact O-N 3.34Å; L169-I171 VanDerWaalsContact C-N 3.34Å; L169-I171 PolarHBondContact O-N 3.22Å; I171-N174 PolarHBondContact O-N 3.06Å; I171-S175 WeakPolarHBondContact O-CB 3.46Å; I171-S175 PolarHBondContact O-N 3.05Å; I171-S175 PolarHBondContact O-OG 3.16Å |
| 172 | K | 94.4 | Very high | 93.5 | Very high | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.6 | -49.4 | 176.8 | -74.4 | 177.2 | -178.3 | 179.5 | 0 | 111.4 | D168 L169 N174 S175 E176 | D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 2.86Å; D168-K172 VanDerWaalsContact O-N 3.11Å; L169-K172 PolarHBondContact O-N 3.06Å; K172-N174 VanDerWaalsContact C-N 3.35Å; K172-N174 PolarHBondContact O-N 3.21Å; K172-S175 PolarHBondContact O-N 3.45Å; K172-S175 VanDerWaalsContact O-N 3.11Å; K172-S175 PolarHBondContact O-OG 3.42Å; K172-E176 PolarHBondContact O-N 3.22Å |
| 173 | L | 94.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 179.7 | -172.6 | 70.4 | 0 | 0 | 0 | 111.9 | L169 S175 E176 Y177 | L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 PolarHBondContact O-N 3.27Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.26Å; L173-E176 PolarHBondContact O-N 3.06Å; L173-Y177 WeakPolarHBondContact O-CB 3.41Å; L173-Y177 PolarHBondContact O-N 3.43Å |
| 174 | N | 95 | Very high | 94 | Very high | 105 Ų | 105 | 106.2 Ų | 106.2 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -37.1 | 176.6 | -75 | -27.2 | 0 | 0 | 0 | 112 | S170 I171 K172 A178 | S170-N174 WeakPolarHBondContact O-CB 3.29Å; S170-N174 PolarHBondContact O-N 3.48Å; S170-N174 PolarHBondContact O-ND2 2.68Å; S170-N174 VanDerWaalsContact O-ND2 3.17Å; I171-N174 PolarHBondContact O-N 3.06Å; K172-N174 VanDerWaalsContact C-N 3.35Å; K172-N174 PolarHBondContact O-N 3.21Å; N174-A178 VanDerWaalsContact O-CB 3.29Å; N174-A178 WeakPolarHBondContact O-CB 3.47Å; N174-A178 PolarHBondContact O-N 2.97Å |
| 175 | S | 94.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 103.6 Ų | 103.6 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 176.5 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | I171 K172 L173 A178 Q179 | I171-S175 WeakPolarHBondContact O-CB 3.46Å; I171-S175 PolarHBondContact O-N 3.05Å; I171-S175 PolarHBondContact O-OG 3.16Å; K172-S175 PolarHBondContact O-N 3.45Å; K172-S175 VanDerWaalsContact O-N 3.11Å; K172-S175 PolarHBondContact O-OG 3.42Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.26Å; S175-A178 PolarHBondContact O-N 2.95Å; S175-Q179 WeakPolarHBondContact O-CB 3.33Å; S175-Q179 PolarHBondContact O-N 3.24Å |
| 176 | E | 94 | Very high | 94.4 | Very high | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 175.9 | -73.8 | 179.7 | -176.8 | 0 | 0 | 111.2 | K172 L173 A178 Q179 A180 | K172-E176 PolarHBondContact O-N 3.22Å; L173-E176 PolarHBondContact O-N 3.06Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3.49Å; E176-Q179 PolarHBondContact O-N 3.45Å; E176-A180 WeakPolarHBondContact O-CB 3.04Å; E176-A180 PolarHBondContact O-N 2.96Å |
| 177 | Y | 94.1 | Very high | 94.6 | Very high | 162 Ų | 162 | 100.9 Ų | 100.9 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 175.5 | -178 | -98 | 0 | 0 | 0 | 111.7 | L173 Q179 A180 R181 | L173-Y177 WeakPolarHBondContact O-CB 3.41Å; L173-Y177 PolarHBondContact O-N 3.43Å; Y177-Q179 VanDerWaalsContact C-N 3.32Å; Y177-Q179 PolarHBondContact O-N 3.37Å; Y177-A180 PolarHBondContact O-N 3.03Å; Y177-R181 VanDerWaalsContact O-CB 3.29Å; Y177-R181 WeakPolarHBondContact O-CB 3.2Å; Y177-R181 PolarHBondContact O-N 3.22Å |
| 178 | A | 95 | Very high | 94.7 | Very high | 39 Ų | 39 | 99.2 Ų | 99.2 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | N174 S175 E176 R182 | N174-A178 VanDerWaalsContact O-CB 3.29Å; N174-A178 WeakPolarHBondContact O-CB 3.47Å; N174-A178 PolarHBondContact O-N 2.97Å; S175-A178 PolarHBondContact O-N 2.95Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3.49Å; A178-R182 VanDerWaalsContact O-CG 3.31Å; A178-R182 WeakPolarHBondContact O-CG 3.36Å; A178-R182 PolarHBondContact O-N 3.42Å |
| 179 | Q | 95.5 | Very high | 94.8 | Very high | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.8 | -44.5 | 176.8 | -173.8 | 177.1 | 6.2 | 0 | 0 | 112.2 | S175 E176 Y177 R181 R182 S183 | S175-Q179 WeakPolarHBondContact O-CB 3.33Å; S175-Q179 PolarHBondContact O-N 3.24Å; E176-Q179 PolarHBondContact O-N 3.45Å; Y177-Q179 VanDerWaalsContact C-N 3.32Å; Y177-Q179 PolarHBondContact O-N 3.37Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.04Å; Q179-R182 PolarHBondContact O-N 2.99Å; Q179-S183 PolarHBondContact O-N 3.31Å; Q179-S183 PolarHBondContact O-OG 3.36Å |
| 180 | A | 95 | Very high | 94.8 | Very high | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E176 Y177 S183 V184 | E176-A180 WeakPolarHBondContact O-CB 3.04Å; E176-A180 PolarHBondContact O-N 2.96Å; Y177-A180 PolarHBondContact O-N 3.03Å; A180-S183 PolarHBondContact O-N 2.94Å; A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.36Å |
| 181 | R | 96.6 | Very high | 94.7 | Very high | 151 Ų | 151 | 104.6 Ų | 104.6 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 176.9 | -173.8 | 171.8 | 178.5 | -155.5 | -0.7 | 112.6 | Y177 Q179 S183 V184 D185 | Y177-R181 VanDerWaalsContact O-CB 3.29Å; Y177-R181 WeakPolarHBondContact O-CB 3.2Å; Y177-R181 PolarHBondContact O-N 3.22Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.04Å; R181-S183 VanDerWaalsContact C-N 3.31Å; R181-S183 PolarHBondContact O-N 2.78Å; R181-V184 PolarHBondContact O-N 3.22Å; R181-D185 VanDerWaalsContact O-CG 3.29Å; R181-D185 PolarHBondContact O-N 3.33Å |
| 182 | R | 95.8 | Very high | 94.6 | Very high | 172 Ų | 172 | 103.8 Ų | 103.8 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 175.2 | -74 | 175.7 | -168.3 | 180 | 4.2 | 112.1 | A178 Q179 V184 D185 D186 | A178-R182 VanDerWaalsContact O-CG 3.31Å; A178-R182 WeakPolarHBondContact O-CG 3.36Å; A178-R182 PolarHBondContact O-N 3.42Å; Q179-R182 PolarHBondContact O-N 2.99Å; R182-V184 VanDerWaalsContact C-N 3.3Å; R182-V184 PolarHBondContact O-N 2.9Å; R182-D185 PolarHBondContact O-N 3.48Å; R182-D186 WeakPolarHBondContact O-CB 3.39Å; R182-D186 VanDerWaalsContact O-CG 3.29Å; R182-D186 PolarHBondContact O-N 2.94Å |
| 183 | S | 95.5 | Very high | 94.4 | Very high | 61 Ų | 61 | 102.5 Ų | 102.5 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | Q179 A180 R181 L187 | Q179-S183 PolarHBondContact O-N 3.31Å; Q179-S183 PolarHBondContact O-OG 3.36Å; A180-S183 PolarHBondContact O-N 2.94Å; R181-S183 VanDerWaalsContact C-N 3.31Å; R181-S183 PolarHBondContact O-N 2.78Å; S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3.04Å; S183-L187 VanDerWaalsContact O-N 3.16Å |
| 184 | V | 95.9 | Very high | 94.2 | Very high | 85 Ų | 85 | 103.2 Ų | 103.2 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | A180 R181 R182 D186 L187 V188 | A180-V184 WeakPolarHBondContact O-CG2 3.46Å; A180-V184 PolarHBondContact O-N 3.36Å; R181-V184 PolarHBondContact O-N 3.22Å; R182-V184 VanDerWaalsContact C-N 3.3Å; R182-V184 PolarHBondContact O-N 2.9Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 3.27Å; V184-L187 PolarHBondContact O-N 3.28Å; V184-V188 WeakPolarHBondContact O-CG2 3.28Å; V184-V188 PolarHBondContact O-N 3.31Å |
| 185 | D | 95.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 101.8 Ų | 101.8 | 36% | 0.358 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 179.1 | -68 | -22.9 | 0 | 0 | 0 | 111.7 | R181 R182 V188 R189 | R181-D185 VanDerWaalsContact O-CG 3.29Å; R181-D185 PolarHBondContact O-N 3.33Å; R182-D185 PolarHBondContact O-N 3.48Å; D185-V188 PolarHBondContact O-N 2.88Å; D185-R189 WeakPolarHBondContact O-CG 3.37Å; D185-R189 PolarHBondContact O-N 3.44Å |
| 186 | D | 95.2 | Very high | 93.4 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.2 | -70.6 | -21.6 | 0 | 0 | 0 | 112.2 | R182 V184 R189 S190 | R182-D186 WeakPolarHBondContact O-CB 3.39Å; R182-D186 VanDerWaalsContact O-CG 3.29Å; R182-D186 PolarHBondContact O-N 2.94Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 3.27Å; D186-R189 PolarHBondContact O-N 2.77Å; D186-R189 IonicContact OD1-NH1 3.29Å; D186-S190 PolarHBondContact O-N 3.38Å |
| 187 | L | 94.3 | Very high | 93 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 173 | -74.2 | 171.4 | 0 | 0 | 0 | 112.1 | S183 V184 S190 L191 | S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3.04Å; S183-L187 VanDerWaalsContact O-N 3.16Å; V184-L187 PolarHBondContact O-N 3.28Å; L187-S190 PolarHBondContact O-N 3.29Å; L187-L191 PolarHBondContact O-N 2.86Å; L187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | V | 94.3 | Very high | 92.3 | Very high | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | V184 D185 S190 L191 D192 | V184-V188 WeakPolarHBondContact O-CG2 3.28Å; V184-V188 PolarHBondContact O-N 3.31Å; D185-V188 PolarHBondContact O-N 2.88Å; V188-S190 VanDerWaalsContact C-N 3.34Å; V188-S190 PolarHBondContact O-N 3.1Å; V188-L191 WeakPolarHBondContact O-CB 3.33Å; V188-L191 PolarHBondContact O-N 2.83Å; V188-L191 VanDerWaalsContact O-N 3.14Å; V188-D192 PolarHBondContact O-N 3.17Å |
| 189 | R | 94.6 | Very high | 91.1 | Very high | 152 Ų | 152 | 100.4 Ų | 100.4 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 176.1 | -74.5 | 177.5 | -178.8 | 147.3 | -0.4 | 112.5 | D185 D186 L191 D192 D193 | D185-R189 WeakPolarHBondContact O-CG 3.37Å; D185-R189 PolarHBondContact O-N 3.44Å; D186-R189 PolarHBondContact O-N 2.77Å; D186-R189 IonicContact OD1-NH1 3.29Å; R189-L191 VanDerWaalsContact C-N 3.25Å; R189-L191 PolarHBondContact O-N 2.9Å; R189-D192 PolarHBondContact O-N 3.08Å; R189-D193 PolarHBondContact O-N 2.78Å |
| 190 | S | 93.7 | Very high | 89.4 | Confident | 77 Ų | 77 | 101.3 Ų | 101.3 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -33 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | D186 L187 V188 F194 | D186-S190 PolarHBondContact O-N 3.38Å; L187-S190 PolarHBondContact O-N 3.29Å; V188-S190 VanDerWaalsContact C-N 3.34Å; V188-S190 PolarHBondContact O-N 3.1Å; S190-F194 WeakPolarHBondContact O-CB 3.25Å; S190-F194 PolarHBondContact O-N 2.79Å |
| 191 | L | 90.7 | Very high | 87.5 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.2 | -41 | 175.6 | -77.8 | 163.8 | 0 | 0 | 0 | 111.9 | L187 V188 R189 F194 S195 | L187-L191 PolarHBondContact O-N 2.86Å; L187-L191 VanDerWaalsContact O-N 3.09Å; V188-L191 WeakPolarHBondContact O-CB 3.33Å; V188-L191 PolarHBondContact O-N 2.83Å; V188-L191 VanDerWaalsContact O-N 3.14Å; R189-L191 VanDerWaalsContact C-N 3.25Å; R189-L191 PolarHBondContact O-N 2.9Å; L191-F194 PolarHBondContact O-N 3.02Å; L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 2.98Å |
| 192 | D | 91.6 | Very high | 85.2 | Confident | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 176.3 | -73.9 | -23.1 | 0 | 0 | 0 | 111.3 | V188 R189 F194 S195 Q196 | V188-D192 PolarHBondContact O-N 3.17Å; R189-D192 PolarHBondContact O-N 3.08Å; D192-F194 VanDerWaalsContact C-N 3.33Å; D192-F194 PolarHBondContact O-N 3.43Å; D192-S195 WeakPolarHBondContact O-CB 3.43Å; D192-S195 PolarHBondContact O-N 3.24Å; D192-Q196 PolarHBondContact O-N 2.99Å |
| 193 | D | 91.2 | Very high | 83 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.6 | -41.7 | 176.6 | -72.1 | -17.7 | 0 | 0 | 0 | 111.5 | R189 Q196 S197 | R189-D193 PolarHBondContact O-N 2.78Å; D193-Q196 PolarHBondContact O-N 2.91Å; D193-S197 PolarHBondContact O-N 2.72Å |
| 194 | F | 89.5 | Confident | 80.9 | Confident | 125 Ų | 125 | 106.5 Ų | 106.5 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -44.4 | 175.3 | -179 | -104 | 0 | 0 | 0 | 111.8 | S190 L191 D192 Q196 S197 L198 | S190-F194 WeakPolarHBondContact O-CB 3.25Å; S190-F194 PolarHBondContact O-N 2.79Å; L191-F194 PolarHBondContact O-N 3.02Å; D192-F194 VanDerWaalsContact C-N 3.33Å; D192-F194 PolarHBondContact O-N 3.43Å; F194-Q196 PolarHBondContact O-N 2.95Å; F194-S197 PolarHBondContact O-N 3.1Å; F194-S197 PolarHBondContact O-OG 3.1Å; F194-L198 HydrophobicContact CD1-CD1 4.05Å; F194-L198 HydrophobicContact CE1-CD1 3.5Å; F194-L198 HydrophobicContact CE1-CG 4.27Å; F194-L198 HydrophobicContact CZ-CD1 3.93Å; F194-L198 HydrophobicContact CZ-CG 4.32Å; F194-L198 PolarHBondContact O-N 3.08Å; F194-L198 VanDerWaalsContact O-N 3.16Å |
| 195 | S | 87.7 | Confident | 78.9 | Confident | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.1 | -44.6 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L191 D192 S197 L198 G199 | L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 2.98Å; D192-S195 WeakPolarHBondContact O-CB 3.43Å; D192-S195 PolarHBondContact O-N 3.24Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 3.02Å; S195-L198 PolarHBondContact O-N 3.09Å; S195-G199 PolarHBondContact O-N 2.83Å |
| 196 | Q | 86.5 | Confident | 77 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63 | -37.8 | 176.2 | -72.4 | -175.8 | 19.3 | 0 | 0 | 112.4 | D192 D193 F194 L198 G199 N200 | D192-Q196 PolarHBondContact O-N 2.99Å; D193-Q196 PolarHBondContact O-N 2.91Å; F194-Q196 PolarHBondContact O-N 2.95Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 3.4Å; Q196-G199 PolarHBondContact O-N 3.47Å; Q196-N200 PolarHBondContact O-N 3.32Å |
| 197 | S | 84.4 | Confident | 75 | Confident | 70 Ų | 70 | 115 Ų | 115 | 49% | 0.49 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.9 | -38.3 | 176.8 | 81.4 | 0 | 0 | 0 | 0 | 112.5 | D193 F194 S195 G201 | D193-S197 PolarHBondContact O-N 2.72Å; F194-S197 PolarHBondContact O-N 3.1Å; F194-S197 PolarHBondContact O-OG 3.1Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 3.02Å; S197-G201 PolarHBondContact O-N 2.74Å |
| 198 | L | 79.2 | Confident | 72.9 | Confident | 107 Ų | 107 | 115.1 Ų | 115.1 | 56% | 0.56 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.9 | -38.6 | 174.4 | -71.6 | 173.4 | 0 | 0 | 0 | 111.7 | F194 S195 Q196 N200 G201 | F194-L198 HydrophobicContact CD1-CD1 4.05Å; F194-L198 HydrophobicContact CE1-CD1 3.5Å; F194-L198 HydrophobicContact CE1-CG 4.27Å; F194-L198 HydrophobicContact CZ-CD1 3.93Å; F194-L198 HydrophobicContact CZ-CG 4.32Å; F194-L198 PolarHBondContact O-N 3.08Å; F194-L198 VanDerWaalsContact O-N 3.16Å; S195-L198 PolarHBondContact O-N 3.09Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 3.4Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 3.23Å; L198-G201 PolarHBondContact O-N 3.46Å |
| 199 | G | 69.4 | Low | 71 | Confident | 51 Ų | 51 | 121.5 Ų | 121.5 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.1 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S195 Q196 | S195-G199 PolarHBondContact O-N 2.83Å; Q196-G199 PolarHBondContact O-N 3.47Å |
| 200 | N | 61.4 | Low | 69.2 | Low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -80.2 | -13.4 | 178.3 | -75.9 | -18 | 0 | 0 | 0 | 114.1 | Q196 L198 | Q196-N200 PolarHBondContact O-N 3.32Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 3.23Å |
| 201 | G | 54.5 | Low | 68 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -8.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S197 L198 E203 | S197-G201 PolarHBondContact O-N 2.74Å; L198-G201 PolarHBondContact O-N 3.46Å; G201-E203 PolarHBondContact O-N 2.59Å |
| 202 | Y | 47.7 | Very low | 66.8 | Low | 200 Ų | 200 | 128.9 Ų | 128.9 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | -93 | 72.2 | -178.1 | -140 | -88.1 | 0 | 0 | 0 | 110.9 | P204 | Y202-P204 WeakPolarHBondContact O-CD 3.36Š| ||
| 203 | E | 50.3 | Low | 65.4 | Low | 180 Ų | 180 | 130.9 Ų | 130.9 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | trans | -76.2 | 115.7 | 164.9 | -158.8 | 174.2 | -160.2 | 0 | 0 | 107.7 | G201 A205 | G201-E203 PolarHBondContact O-N 2.59Å; E203-A205 PolarHBondContact O-N 3.13Å | ||
| 204 | P | 50.8 | Low | 63.9 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 117.5 | -176 | 24 | -30.1 | 0 | 0 | 0 | 108.7 | Y202 A206 | Y202-P204 WeakPolarHBondContact O-CD 3.36Å; P204-A206 PolarHBondContact O-N 3.15Å | ||
| 205 | A | 54.4 | Low | 62.3 | Low | 95 Ų | 95 | 132.9 Ų | 132.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -45.7 | 117.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E203 R207 | E203-A205 PolarHBondContact O-N 3.13Å; A205-R207 PolarHBondContact O-N 3.31Å; A205-R207 VanDerWaalsContact O-N 3.1Å | ||
| 206 | A | 55.6 | Low | 60.6 | Low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 120.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P204 | P204-A206 PolarHBondContact O-N 3.15Š|
| 207 | R | 53.7 | Low | 58.7 | Low | 232 Ų | 232 | 137.4 Ų | 137.4 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.7 | 173.3 | -94.4 | -175.8 | -135 | -149.4 | 1 | 108.6 | A205 K209 | A205-R207 PolarHBondContact O-N 3.31Å; A205-R207 VanDerWaalsContact O-N 3.1Å; R207-K209 PolarHBondContact O-N 3Å |
| 208 | P | 49.7 | Very low | 56.7 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.9 | 170.9 | -11.1 | 23.8 | 0 | 0 | 0 | 108.1 | L210 | P208-L210 PolarHBondContact O-N 3.05Š|
| 209 | K | 54.9 | Low | 54.9 | Low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 118.7 | 170.2 | -69.7 | -174.7 | 177.4 | -178.5 | 0 | 107.7 | R207 | R207-K209 PolarHBondContact O-N 3Š|
| 210 | L | 56 | Low | 53.5 | Low | 245 Ų | 245 | 154.1 Ų | 154.1 | 100% | 1.283 | 84% | 0.836 | S | S | * | * | trans | -76.2 | 0 | 163 | -85 | 154.6 | 0 | 0 | 0 | 109.6 | P208 | P208-L210 PolarHBondContact O-N 3.05Š|
Retrieved 210 of 210 residues in 322.4 ms
(Link to these results)