| 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 | 30.8 | Very low | 51.9 | Low | 249 Ų | 249 | 116.5 Ų | 116.5 | 100% | 1.227 | 59% | 0.587 | S | S | * | * | 0 | 102.6 | 0 | -75.3 | 176.1 | 172.9 | 0 | 0 | 104.7 | D3 | M1-D3 PolarHBondContact O-N 2.87Š| |||
| 2 | D | 32.8 | Very low | 54 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | trans | -84.1 | 106 | -172.1 | -174.6 | 5.2 | 0 | 0 | 0 | 108.2 | S4 | D2-S4 VanDerWaalsContact CG-OG 3.32Å; D2-S4 PolarHBondContact O-N 3.42Å; D2-S4 VanDerWaalsContact OD1-CB 3.31Å; D2-S4 WeakPolarHBondContact OD1-CB 3.14Å; D2-S4 PolarHBondContact OD1-N 2.57Å; D2-S4 PolarHBondContact OD1-OG 3.18Å; D2-S4 PolarHBondContact OD2-OG 3.45Å | ||
| 3 | D | 34.1 | Very low | 55.9 | Low | 137 Ų | 137 | 105.8 Ų | 105.8 | 73% | 0.733 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -87.3 | 10.9 | -177.6 | -139.8 | 15.5 | 0 | 0 | 0 | 111.7 | M1 | M1-D3 PolarHBondContact O-N 2.87Š|
| 4 | S | 39.1 | Very low | 57.3 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -85.8 | -3.3 | -178.7 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | D2 | D2-S4 VanDerWaalsContact CG-OG 3.32Å; D2-S4 PolarHBondContact O-N 3.42Å; D2-S4 VanDerWaalsContact OD1-CB 3.31Å; D2-S4 WeakPolarHBondContact OD1-CB 3.14Å; D2-S4 PolarHBondContact OD1-N 2.57Å; D2-S4 PolarHBondContact OD1-OG 3.18Å; D2-S4 PolarHBondContact OD2-OG 3.45Å |
| 5 | E | 43.6 | Very low | 58.9 | Low | 173 Ų | 173 | 97.4 Ų | 97.4 | 81% | 0.808 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -88.6 | -5.5 | -175.5 | -93.5 | -170.9 | 156.5 | 0 | 0 | 115.4 | ||
| 6 | K | 47.1 | Very low | 60.5 | Low | 164 Ų | 164 | 92.1 Ų | 92.1 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -106 | -23.5 | -162.4 | -75.9 | -175.8 | 179.6 | 172.3 | 0 | 118.7 | ||
| 7 | D | 56.8 | Low | 61.9 | Low | 132 Ų | 132 | 86.7 Ų | 86.7 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | trans | -103.5 | 102.3 | -173.9 | -85 | 10.4 | 0 | 0 | 0 | 112.2 | N9 N178 | D7-N9 PolarHBondContact O-N 3.25Å; D7-N178 PolarHBondContact OD2-ND2 3.34Å | ||
| 8 | F | 66.9 | Low | 63.3 | Low | 19 Ų | 19 | 89.2 Ų | 89.2 | 8% | 0.083 | 46% | 0.455 | C | S | . | . | trans | -59.9 | 132.1 | 158.2 | 170.7 | -104.5 | 0 | 0 | 0 | 108.9 | L10 V13 G38 R41 F42 N178 | F8-L10 HydrophobicContact CE1-CB 3.73Å; F8-L10 HydrophobicContact CE1-CG 4.47Å; F8-L10 VanDerWaalsContact CZ-CA 3.43Å; F8-L10 HydrophobicContact CZ-CB 3.6Å; F8-L10 HydrophobicContact CZ-CD1 3.76Å; F8-L10 HydrophobicContact CZ-CG 4.12Å; F8-V13 HydrophobicContact CE2-CG2 3.69Å; F8-V13 HydrophobicContact CZ-CG2 4.21Å; F8-G38 WeakPolarHBondContact CD2-O 3.48Å; F8-G38 VanDerWaalsContact CE2-O 3.24Å; F8-G38 WeakPolarHBondContact CE2-O 3.21Å; F8-R41 HydrophobicContact CD2-CB 4.37Å; F8-F42 HydrophobicContact CD1-CB 4.05Å; F8-F42 AromaticContact CD1-CD2 3.43Å; F8-F42 HydrophobicContact CD1-CD2 3.43Å; F8-F42 VanDerWaalsContact CD1-CD2 3.43Å; F8-F42 HydrophobicContact CD1-CE2 4.3Å; F8-F42 HydrophobicContact CD1-CG 4.1Å; F8-F42 HydrophobicContact CD2-CB 3.68Å; F8-F42 HydrophobicContact CE1-CB 3.72Å; F8-F42 AromaticContact CE1-CD2 3.11Å; F8-F42 HydrophobicContact CE1-CD2 3.11Å; F8-F42 AromaticContact CE1-CE2 3.87Å; F8-F42 HydrophobicContact CE1-CE2 3.87Å; F8-F42 AromaticContact CE1-CG 3.57Å; F8-F42 HydrophobicContact CE1-CG 3.57Å; F8-F42 HydrophobicContact CE2-CB 3.38Å; F8-F42 HydrophobicContact CE2-CD2 4.42Å; F8-F42 HydrophobicContact CE2-CG 4.14Å; F8-F42 HydrophobicContact CG-CB 4.02Å; F8-F42 HydrophobicContact CG-CD2 4.18Å; F8-F42 HydrophobicContact CZ-CB 3.37Å; F8-F42 AromaticContact CZ-CD2 3.68Å; F8-F42 HydrophobicContact CZ-CD2 3.68Å; F8-F42 AromaticContact CZ-CG 3.59Å; F8-F42 HydrophobicContact CZ-CG 3.59Å; F8-N178 WeakPolarHBondContact O-CB 3.46Å; F8-N178 PolarHBondContact O-ND2 2.91Å | ||
| 9 | N | 71.5 | Confident | 64.8 | Low | 60 Ų | 60 | 89.4 Ų | 89.4 | 32% | 0.321 | 45% | 0.454 | S | S | . | . | trans | -133.5 | 112.9 | 172.1 | -172.1 | -34.2 | 0 | 0 | 0 | 108.9 | D7 K11 V12 M179 | D7-N9 PolarHBondContact O-N 3.25Å; N9-K11 PolarHBondContact O-N 3.39Å; N9-K11 VanDerWaalsContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CB 3.42Å; N9-K11 PolarHBondContact OD1-N 3.25Å; N9-V12 HydrophobicContact CB-CG2 4.13Å; N9-V12 WeakPolarHBondContact O-CB 3.34Å; N9-V12 PolarHBondContact O-N 2.7Å; N9-M179 WeakPolarHBondContact OD1-CE 3.41Å | ||
| 10 | L | 73.4 | Confident | 66.1 | Low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -26.6 | -176.9 | -168.4 | 43 | 0 | 0 | 0 | 112.1 | F8 V12 V13 L14 M177 M188 L189 | F8-L10 HydrophobicContact CE1-CB 3.73Å; F8-L10 HydrophobicContact CE1-CG 4.47Å; F8-L10 VanDerWaalsContact CZ-CA 3.43Å; F8-L10 HydrophobicContact CZ-CB 3.6Å; F8-L10 HydrophobicContact CZ-CD1 3.76Å; F8-L10 HydrophobicContact CZ-CG 4.12Å; L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.3Å; L10-V13 HydrophobicContact CD1-CB 4.06Å; L10-V13 HydrophobicContact CD1-CG1 4.34Å; L10-V13 HydrophobicContact CD1-CG2 4.34Å; L10-V13 VanDerWaalsContact O-CB 3.32Å; L10-V13 WeakPolarHBondContact O-CB 3.42Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-V13 VanDerWaalsContact O-N 3.11Å; L10-L14 HydrophobicContact CD1-CD2 4.4Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 2.86Å; L10-M177 HydrophobicContact CD2-CB 3.94Å; L10-M177 HydrophobicContact CD2-CE 3.99Å; L10-M177 HydrophobicContact CD2-CG 3.68Å; L10-M177 HydrophobicContact CD2-SD 3.35Å; L10-M177 WeakPolarHBondContact CD2-SD 3.44Å; L10-M188 HydrophobicContact CB-CE 3.92Å; L10-M188 HydrophobicContact CB-SD 4.15Å; L10-M188 HydrophobicContact CD2-CE 3.07Å; L10-M188 HydrophobicContact CD2-SD 4.12Å; L10-M188 HydrophobicContact CG-CE 3.28Å; L10-M188 HydrophobicContact CG-SD 3.63Å; L10-L189 HydrophobicContact CD2-CD2 3.94Å |
| 11 | K | 74.3 | Confident | 67.3 | Low | 136 Ų | 136 | 82.6 Ų | 82.6 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.5 | -36.4 | 172.1 | -164.9 | 172.5 | -176.8 | 169.1 | 0 | 113 | N9 L14 V15 | N9-K11 PolarHBondContact O-N 3.39Å; N9-K11 VanDerWaalsContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CB 3.42Å; N9-K11 PolarHBondContact OD1-N 3.25Å; K11-L14 WeakPolarHBondContact O-CB 3.05Å; K11-L14 PolarHBondContact O-N 2.73Å; K11-V15 WeakPolarHBondContact O-CG2 3.17Å; K11-V15 PolarHBondContact O-N 3.33Å |
| 12 | V | 77.6 | Confident | 70.2 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 178.3 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | N9 L10 L14 S16 | N9-V12 HydrophobicContact CB-CG2 4.13Å; N9-V12 WeakPolarHBondContact O-CB 3.34Å; N9-V12 PolarHBondContact O-N 2.7Å; L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.3Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 3.04Å; V12-S16 WeakPolarHBondContact O-CB 3.18Å; V12-S16 PolarHBondContact O-N 3.09Å; V12-S16 PolarHBondContact O-OG 3.03Å |
| 13 | V | 78.4 | Confident | 72.7 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 172 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | F8 L10 S16 F17 G38 L39 | F8-V13 HydrophobicContact CE2-CG2 3.69Å; F8-V13 HydrophobicContact CZ-CG2 4.21Å; L10-V13 HydrophobicContact CD1-CB 4.06Å; L10-V13 HydrophobicContact CD1-CG1 4.34Å; L10-V13 HydrophobicContact CD1-CG2 4.34Å; L10-V13 VanDerWaalsContact O-CB 3.32Å; L10-V13 WeakPolarHBondContact O-CB 3.42Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-V13 VanDerWaalsContact O-N 3.11Å; V13-S16 WeakPolarHBondContact O-CB 3.31Å; V13-S16 PolarHBondContact O-N 2.81Å; V13-F17 HydrophobicContact CG1-CD2 3.74Å; V13-F17 HydrophobicContact CG1-CE2 3.75Å; V13-F17 WeakPolarHBondContact O-CD2 3.4Å; V13-F17 PolarHBondContact O-N 3Å; V13-G38 VanDerWaalsContact CG2-C 3.49Å; V13-L39 HydrophobicContact CG1-CD2 3.67Å; V13-L39 HydrophobicContact CG1-CG 3.75Å |
| 14 | L | 75.6 | Confident | 75.2 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | -179.1 | -54.2 | -162.1 | 0 | 0 | 0 | 112.4 | L10 K11 V12 S16 F17 K18 M188 A192 | L10-L14 HydrophobicContact CD1-CD2 4.4Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 2.86Å; K11-L14 WeakPolarHBondContact O-CB 3.05Å; K11-L14 PolarHBondContact O-N 2.73Å; V12-L14 VanDerWaalsContact C-N 3.28Å; V12-L14 PolarHBondContact O-N 3.04Å; L14-S16 PolarHBondContact O-N 3.13Å; L14-F17 PolarHBondContact O-N 2.94Å; L14-K18 WeakPolarHBondContact O-CB 3.2Å; L14-K18 PolarHBondContact O-N 3.35Å; L14-M188 HydrophobicContact CD1-CG 3.66Å; L14-M188 HydrophobicContact CD1-SD 3.16Å; L14-M188 WeakPolarHBondContact CD1-SD 3.16Å; L14-M188 HydrophobicContact CD2-SD 3.75Å; L14-M188 HydrophobicContact CG-SD 3.6Å; L14-A192 HydrophobicContact CD1-CB 3.88Å; L14-A192 HydrophobicContact CD2-CB 3.04Å; L14-A192 HydrophobicContact CG-CB 4Å |
| 15 | V | 81 | Confident | 77.6 | Confident | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 178.9 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | K11 K18 Q19 | K11-V15 WeakPolarHBondContact O-CG2 3.17Å; K11-V15 PolarHBondContact O-N 3.33Å; V15-K18 PolarHBondContact O-N 3.02Å; V15-Q19 HydrophobicContact CG1-CG 4.43Å; V15-Q19 WeakPolarHBondContact O-CB 3.43Å; V15-Q19 WeakPolarHBondContact O-CG 3.37Å; V15-Q19 PolarHBondContact O-N 3.24Å |
| 16 | S | 85.6 | Confident | 79.9 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | V12 V13 L14 K18 Q19 C20 | V12-S16 WeakPolarHBondContact O-CB 3.18Å; V12-S16 PolarHBondContact O-N 3.09Å; V12-S16 PolarHBondContact O-OG 3.03Å; V13-S16 WeakPolarHBondContact O-CB 3.31Å; V13-S16 PolarHBondContact O-N 2.81Å; L14-S16 PolarHBondContact O-N 3.13Å; S16-K18 VanDerWaalsContact C-N 3.33Å; S16-K18 PolarHBondContact O-N 3.1Å; S16-Q19 CarbonylContact O-C 3.58Å; S16-Q19 PolarHBondContact O-N 3.49Å; S16-Q19 VanDerWaalsContact O-N 3.14Å; S16-C20 PolarHBondContact O-N 3.02Å; S16-C20 PolarHBondContact O-SG 3.41Å |
| 17 | F | 84.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 178.7 | -81.6 | -76.2 | 0 | 0 | 0 | 113.3 | V13 L14 Q19 C20 L39 L117 F195 I196 V199 | V13-F17 HydrophobicContact CG1-CD2 3.74Å; V13-F17 HydrophobicContact CG1-CE2 3.75Å; V13-F17 WeakPolarHBondContact O-CD2 3.4Å; V13-F17 PolarHBondContact O-N 3Å; L14-F17 PolarHBondContact O-N 2.94Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; F17-C20 VanDerWaalsContact O-CB 3.28Å; F17-C20 WeakPolarHBondContact O-CB 3.49Å; F17-C20 PolarHBondContact O-N 3.48Å; F17-L39 HydrophobicContact CE2-CD1 3.59Å; F17-L39 HydrophobicContact CE2-CG 4.21Å; F17-L39 HydrophobicContact CZ-CD1 3.75Å; F17-L117 HydrophobicContact CE1-CD1 4Å; F17-L117 HydrophobicContact CE1-CD2 4.1Å; F17-L117 HydrophobicContact CZ-CD1 3.78Å; F17-F195 HydrophobicContact CB-CB 4.45Å; F17-I196 HydrophobicContact CB-CG1 4.31Å; F17-I196 HydrophobicContact CD1-CG1 4.33Å; F17-I196 HydrophobicContact CD2-CD1 4.48Å; F17-I196 HydrophobicContact CD2-CG1 4.1Å; F17-I196 HydrophobicContact CG-CG1 3.99Å; F17-V199 HydrophobicContact CD1-CB 4.49Å; F17-V199 HydrophobicContact CD1-CG1 4.44Å; F17-V199 HydrophobicContact CD1-CG2 4.33Å |
| 18 | K | 87.4 | Confident | 84.2 | Confident | 131 Ų | 131 | 58.4 Ų | 58.4 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 171.3 | -175.3 | 175.7 | -178.2 | 177 | 0 | 111.9 | L14 V15 S16 C20 F195 | L14-K18 WeakPolarHBondContact O-CB 3.2Å; L14-K18 PolarHBondContact O-N 3.35Å; V15-K18 PolarHBondContact O-N 3.02Å; S16-K18 VanDerWaalsContact C-N 3.33Å; S16-K18 PolarHBondContact O-N 3.1Å; K18-C20 VanDerWaalsContact C-N 3.28Å; K18-F195 HydrophobicContact CB-CD1 4.14Å; K18-F195 HydrophobicContact CB-CE1 4.35Å; K18-F195 HydrophobicContact CB-CG 4.29Å; K18-F195 HydrophobicContact CD-CE1 4.11Å; K18-F195 HydrophobicContact CD-CZ 4.02Å; K18-F195 HydrophobicContact CG-CD1 4.06Å; K18-F195 HydrophobicContact CG-CE1 3.84Å; K18-F195 HydrophobicContact CG-CZ 4.23Å |
| 19 | Q | 91.1 | Very high | 85.6 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -78.2 | -10.3 | 177.3 | -70 | 173.7 | -18.6 | 0 | 0 | 113.5 | V15 S16 F17 L21 H31 | V15-Q19 HydrophobicContact CG1-CG 4.43Å; V15-Q19 WeakPolarHBondContact O-CB 3.43Å; V15-Q19 WeakPolarHBondContact O-CG 3.37Å; V15-Q19 PolarHBondContact O-N 3.24Å; S16-Q19 CarbonylContact O-C 3.58Å; S16-Q19 PolarHBondContact O-N 3.49Å; S16-Q19 VanDerWaalsContact O-N 3.14Å; F17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 3.02Å; Q19-H31 HydrophobicContact CB-CB 4.26Å; Q19-H31 WeakPolarHBondContact CB-ND1 3.17Å; Q19-H31 PolarHBondContact O-CD2 3.17Å; Q19-H31 PolarHBondContact OE1-CE1 3.28Å; Q19-H31 VanDerWaalsContact OE1-CE1 3.31Å; Q19-H31 PolarHBondContact OE1-ND1 2.9Å |
| 20 | C | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.9 | 174.1 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | S16 F17 K18 E26 V27 L28 H31 Y32 V199 | S16-C20 PolarHBondContact O-N 3.02Å; S16-C20 PolarHBondContact O-SG 3.41Å; F17-C20 VanDerWaalsContact O-CB 3.28Å; F17-C20 WeakPolarHBondContact O-CB 3.49Å; F17-C20 PolarHBondContact O-N 3.48Å; K18-C20 VanDerWaalsContact C-N 3.28Å; C20-E26 VanDerWaalsContact O-O 3.12Å; C20-V27 HydrophobicContact CB-CG1 4.45Å; C20-V27 CarbonylContact O-C 3.53Å; C20-V27 VanDerWaalsContact O-CA 3.29Å; C20-V27 WeakPolarHBondContact O-CA 3.44Å; C20-L28 PolarHBondContact O-N 3.04Å; C20-H31 HydrophobicContact CB-CB 4.41Å; C20-Y32 WeakPolarHBondContact SG-CA 3.49Å; C20-Y32 PolarHBondContact SG-N 2.91Å; C20-V199 HydrophobicContact CB-CG2 3.7Å |
| 21 | L | 91.3 | Very high | 87.8 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 129.4 | -172 | -62 | 179.9 | 0 | 0 | 0 | 111.5 | Q19 E26 V27 H198 V199 I202 | Q19-L21 PolarHBondContact O-N 3.02Å; L21-E26 WeakPolarHBondContact CA-O 3.37Å; L21-V27 HydrophobicContact CD2-CG2 3.87Å; L21-H198 HydrophobicContact CD1-CB 3.89Å; L21-V199 HydrophobicContact CD1-CG2 4.04Å; L21-V199 HydrophobicContact CD2-CG2 3.79Å; L21-V199 HydrophobicContact CG-CG2 3.73Å; L21-I202 HydrophobicContact CD1-CD1 4.24Å; L21-I202 HydrophobicContact CD2-CD1 3.56Å |
| 22 | T | 90.9 | Very high | 88.8 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | trans | -86.6 | 163.7 | 167.4 | 72.2 | 0 | 0 | 0 | 0 | 110.9 | K24 G25 E26 L28 | T22-K24 PolarHBondContact O-N 3.27Å; T22-K24 PolarHBondContact OG1-N 3.29Å; T22-G25 PolarHBondContact O-N 2.96Å; T22-E26 HydrophobicContact CG2-CB 4.15Å; T22-E26 PolarHBondContact N-O 3.11Å; T22-E26 VanDerWaalsContact N-O 3.07Å; T22-E26 WeakPolarHBondContact OG1-CB 3.31Å; T22-E26 PolarHBondContact OG1-N 3.11Å; T22-E26 VanDerWaalsContact OG1-N 3.13Å; T22-L28 HydrophobicContact CG2-CD1 3.82Å; T22-L28 HydrophobicContact CG2-CD2 3.7Å; T22-L28 HydrophobicContact CG2-CG 3.68Å | ||
| 23 | D | 86.6 | Confident | 89.6 | Confident | 179 Ų | 179 | 50.9 Ų | 50.9 | 96% | 0.957 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.1 | 172.5 | -60.4 | -30 | 0 | 0 | 0 | 113.2 | ||
| 24 | K | 86.6 | Confident | 90.3 | Very high | 188 Ų | 188 | 52.7 Ų | 52.7 | 82% | 0.817 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.6 | 177.5 | -61.2 | 179.9 | -178.3 | 176 | 0 | 113.2 | T22 | T22-K24 PolarHBondContact O-N 3.27Å; T22-K24 PolarHBondContact OG1-N 3.29Å |
| 25 | G | 87.7 | Confident | 91.1 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | trans | 73.6 | 25.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T22 Q80 I202 | T22-G25 PolarHBondContact O-N 2.96Å; G25-Q80 PolarHBondContact O-NE2 3.47Å; G25-I202 WeakPolarHBondContact O-CG2 3.09Å | ||
| 26 | E | 93.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | trans | -86.6 | 144.3 | 172.1 | -62.7 | -174.9 | 125.2 | 0 | 0 | 111.4 | C20 L21 T22 Q80 | C20-E26 VanDerWaalsContact O-O 3.12Å; L21-E26 WeakPolarHBondContact CA-O 3.37Å; T22-E26 HydrophobicContact CG2-CB 4.15Å; T22-E26 PolarHBondContact N-O 3.11Å; T22-E26 VanDerWaalsContact N-O 3.07Å; T22-E26 WeakPolarHBondContact OG1-CB 3.31Å; T22-E26 PolarHBondContact OG1-N 3.11Å; T22-E26 VanDerWaalsContact OG1-N 3.13Å; E26-Q80 HydrophobicContact CG-CG 4.43Å | ||
| 27 | V | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 106 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 109 | C20 L21 L29 Y32 S78 L79 V199 I202 | C20-V27 HydrophobicContact CB-CG1 4.45Å; C20-V27 CarbonylContact O-C 3.53Å; C20-V27 VanDerWaalsContact O-CA 3.29Å; C20-V27 WeakPolarHBondContact O-CA 3.44Å; L21-V27 HydrophobicContact CD2-CG2 3.87Å; V27-L29 PolarHBondContact O-N 2.87Å; V27-Y32 HydrophobicContact CG1-CD2 3.98Å; V27-S78 CarbonylContact O-C 3.58Å; V27-S78 WeakPolarHBondContact O-CA 3.22Å; V27-S78 WeakPolarHBondContact O-CB 3.19Å; V27-L79 HydrophobicContact CB-CB 4.13Å; V27-L79 HydrophobicContact CB-CD1 3.7Å; V27-L79 HydrophobicContact CB-CG 3.79Å; V27-L79 HydrophobicContact CG1-CD1 3.63Å; V27-L79 HydrophobicContact CG1-CG 3.87Å; V27-L79 HydrophobicContact CG2-CD1 4.15Å; V27-L79 PolarHBondContact O-N 3.32Å; V27-V199 HydrophobicContact CG1-CG1 4.04Å; V27-I202 HydrophobicContact CG2-CB 4.18Å; V27-I202 HydrophobicContact CG2-CG2 3.67Å |
| 28 | L | 97.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 123.4 | 179.9 | -61.9 | -178.2 | 0 | 0 | 0 | 111.2 | C20 T22 D30 H31 Y32 | C20-L28 PolarHBondContact O-N 3.04Å; T22-L28 HydrophobicContact CG2-CD1 3.82Å; T22-L28 HydrophobicContact CG2-CD2 3.7Å; T22-L28 HydrophobicContact CG2-CG 3.68Å; L28-D30 PolarHBondContact O-N 2.97Å; L28-H31 PolarHBondContact O-N 2.9Å; L28-Y32 WeakPolarHBondContact O-CB 3.42Å; L28-Y32 PolarHBondContact O-N 3Å |
| 29 | L | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.5 | -32.8 | -172.2 | -92.3 | 172 | 0 | 0 | 0 | 113.3 | V27 Y32 I33 M64 Y76 A77 L79 M82 V110 | V27-L29 PolarHBondContact O-N 2.87Å; L29-Y32 PolarHBondContact O-N 3.09Å; L29-I33 WeakPolarHBondContact O-CB 3.16Å; L29-I33 WeakPolarHBondContact O-CD1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3Å; L29-M64 HydrophobicContact CD1-CE 4.02Å; L29-M64 HydrophobicContact CD2-CE 3.91Å; L29-Y76 WeakPolarHBondContact CB-O 3.41Å; L29-Y76 WeakPolarHBondContact CD1-O 3.37Å; L29-A77 PolarHBondContact N-O 3.32Å; L29-L79 HydrophobicContact CD1-CD2 4.39Å; L29-L79 HydrophobicContact CD2-CD2 3.54Å; L29-L79 HydrophobicContact CD2-CG 4.47Å; L29-L79 HydrophobicContact CG-CD2 3.95Å; L29-M82 HydrophobicContact CD1-CB 4.28Å; L29-M82 HydrophobicContact CD1-SD 4.08Å; L29-V110 HydrophobicContact CD2-CG2 4.26Å |
| 30 | D | 95.3 | Very high | 92 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 179.6 | -66.5 | -25.5 | 0 | 0 | 0 | 111.6 | L28 I33 A34 R68 | L28-D30 PolarHBondContact O-N 2.97Å; D30-I33 PolarHBondContact O-N 2.84Å; D30-A34 WeakPolarHBondContact O-CB 3.47Å; D30-A34 PolarHBondContact O-N 3.38Å; D30-R68 VanDerWaalsContact CG-NH2 3.34Å; D30-R68 IonicContact OD1-CZ 3.42Å; D30-R68 IonicContact OD1-NE 2.76Å; D30-R68 PolarHBondContact OD1-NE 3.3Å; D30-R68 IonicContact OD1-NH2 3.23Å; D30-R68 PolarHBondContact OD1-NH2 2.77Å; D30-R68 IonicContact OD2-CZ 3.68Å; D30-R68 IonicContact OD2-NE 3.8Å; D30-R68 IonicContact OD2-NH2 2.74Å; D30-R68 PolarHBondContact OD2-NH2 3.26Å |
| 31 | H | 95 | Very high | 91.8 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | 175.7 | -67.6 | -64.3 | 0 | 0 | 0 | 111.8 | Q19 C20 L28 A34 G35 | Q19-H31 HydrophobicContact CB-CB 4.26Å; Q19-H31 WeakPolarHBondContact CB-ND1 3.17Å; Q19-H31 PolarHBondContact O-CD2 3.17Å; Q19-H31 PolarHBondContact OE1-CE1 3.28Å; Q19-H31 VanDerWaalsContact OE1-CE1 3.31Å; Q19-H31 PolarHBondContact OE1-ND1 2.9Å; C20-H31 HydrophobicContact CB-CB 4.41Å; L28-H31 PolarHBondContact O-N 2.9Å; H31-A34 PolarHBondContact O-N 3.32Å; H31-G35 PolarHBondContact O-N 3.16Å |
| 32 | Y | 94.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 175.1 | -172 | -92 | 0 | 0 | 0 | 111.6 | C20 V27 L28 L29 G35 W36 L113 L117 V199 | C20-Y32 WeakPolarHBondContact SG-CA 3.49Å; C20-Y32 PolarHBondContact SG-N 2.91Å; V27-Y32 HydrophobicContact CG1-CD2 3.98Å; L28-Y32 WeakPolarHBondContact O-CB 3.42Å; L28-Y32 PolarHBondContact O-N 3Å; L29-Y32 PolarHBondContact O-N 3.09Å; Y32-G35 PolarHBondContact O-N 3.48Å; Y32-W36 AromaticContact CD1-CD1 3.64Å; Y32-W36 AromaticContact CE1-CD1 3.25Å; Y32-W36 AromaticContact CE1-NE1 3.24Å; Y32-W36 AromaticContact CE2-NE1 3.97Å; Y32-W36 AromaticContact CZ-CD1 3.62Å; Y32-W36 AromaticContact CZ-NE1 3.17Å; Y32-W36 PolarHBondContact O-N 3.37Å; Y32-W36 PolarHBondContact OH-NE1 3.23Å; Y32-W36 VanDerWaalsContact OH-NE1 3.08Å; Y32-L113 HydrophobicContact CE1-CB 4.21Å; Y32-L113 HydrophobicContact CE1-CD1 4.16Å; Y32-L117 HydrophobicContact CE2-CD2 4.21Å; Y32-V199 HydrophobicContact CD2-CG1 3.92Å; Y32-V199 HydrophobicContact CE2-CG1 3.9Å |
| 33 | I | 95.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.4 | -67.5 | 163.6 | 0 | 0 | 0 | 110.3 | L29 D30 W36 K37 M64 E65 R68 | L29-I33 WeakPolarHBondContact O-CB 3.16Å; L29-I33 WeakPolarHBondContact O-CD1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.49Å; L29-I33 PolarHBondContact O-N 3Å; D30-I33 PolarHBondContact O-N 2.84Å; I33-W36 PolarHBondContact O-N 3.37Å; I33-K37 HydrophobicContact CG2-CD 4.34Å; I33-K37 HydrophobicContact CG2-CG 4.49Å; I33-K37 WeakPolarHBondContact O-CG 3.27Å; I33-K37 PolarHBondContact O-N 3.04Å; I33-M64 HydrophobicContact CD1-CB 3.82Å; I33-M64 HydrophobicContact CG1-CB 4.13Å; I33-E65 HydrophobicContact CD1-CG 4.49Å; I33-E65 HydrophobicContact CG2-CG 4.02Å; I33-R68 HydrophobicContact CD1-CG 3.98Å |
| 34 | A | 92.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D30 H31 W36 K37 G38 | D30-A34 WeakPolarHBondContact O-CB 3.47Å; D30-A34 PolarHBondContact O-N 3.38Å; H31-A34 PolarHBondContact O-N 3.32Å; A34-W36 PolarHBondContact O-N 2.95Å; A34-K37 PolarHBondContact O-N 3.09Å; A34-G38 PolarHBondContact O-N 3.41Å |
| 35 | G | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H31 Y32 K37 G38 L39 | H31-G35 PolarHBondContact O-N 3.16Å; Y32-G35 PolarHBondContact O-N 3.48Å; G35-K37 PolarHBondContact O-N 3.37Å; G35-G38 PolarHBondContact O-N 2.9Å; G35-L39 WeakPolarHBondContact O-CG 3.36Å; G35-L39 PolarHBondContact O-N 2.89Å |
| 36 | W | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.3 | -91.8 | 108.4 | 0 | 0 | 0 | 114.1 | Y32 I33 A34 G38 L39 V40 V57 L61 L113 A116 L117 | Y32-W36 AromaticContact CD1-CD1 3.64Å; Y32-W36 AromaticContact CE1-CD1 3.25Å; Y32-W36 AromaticContact CE1-NE1 3.24Å; Y32-W36 AromaticContact CE2-NE1 3.97Å; Y32-W36 AromaticContact CZ-CD1 3.62Å; Y32-W36 AromaticContact CZ-NE1 3.17Å; Y32-W36 PolarHBondContact O-N 3.37Å; Y32-W36 PolarHBondContact OH-NE1 3.23Å; Y32-W36 VanDerWaalsContact OH-NE1 3.08Å; I33-W36 PolarHBondContact O-N 3.37Å; A34-W36 PolarHBondContact O-N 2.95Å; W36-G38 VanDerWaalsContact C-N 3.32Å; W36-G38 PolarHBondContact O-N 3.18Å; W36-L39 HydrophobicContact CD2-CD1 4.37Å; W36-L39 HydrophobicContact CE3-CB 4.42Å; W36-L39 HydrophobicContact CE3-CD1 4.14Å; W36-L39 HydrophobicContact CZ3-CD1 4.41Å; W36-L39 WeakPolarHBondContact O-CB 3.42Å; W36-L39 PolarHBondContact O-N 2.99Å; W36-V40 WeakPolarHBondContact O-CG2 3.5Å; W36-V40 PolarHBondContact O-N 3.16Å; W36-V57 HydrophobicContact CD2-CG1 4.3Å; W36-V57 HydrophobicContact CE3-CG1 3.52Å; W36-V57 HydrophobicContact CZ3-CG1 3.8Å; W36-V57 HydrophobicContact CZ3-CG2 4.38Å; W36-L61 HydrophobicContact CB-CD1 3.88Å; W36-L61 HydrophobicContact CB-CD2 3.46Å; W36-L61 VanDerWaalsContact CB-CD2 3.46Å; W36-L61 HydrophobicContact CB-CG 4.27Å; W36-L61 HydrophobicContact CG-CD2 3.97Å; W36-L113 HydrophobicContact CD2-CD2 4.28Å; W36-L113 HydrophobicContact CZ2-CB 4.19Å; W36-L113 WeakPolarHBondContact CZ2-O 3.33Å; W36-A116 HydrophobicContact CH2-CB 3.7Å; W36-A116 HydrophobicContact CZ2-CB 4.33Å; W36-L117 HydrophobicContact CH2-CB 4.49Å; W36-L117 HydrophobicContact CH2-CD1 4.42Å; W36-L117 HydrophobicContact CZ2-CB 3.77Å; W36-L117 HydrophobicContact CZ2-CD1 3.82Å; W36-L117 HydrophobicContact CZ2-CG 4.36Å |
| 37 | K | 91.7 | Very high | 89.1 | Confident | 82 Ų | 82 | 34.3 Ų | 34.3 | 36% | 0.357 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.2 | -78.7 | 178.5 | 174.4 | -177.8 | 0 | 111.6 | I33 A34 G35 L39 V40 R41 L61 E65 | I33-K37 HydrophobicContact CG2-CD 4.34Å; I33-K37 HydrophobicContact CG2-CG 4.49Å; I33-K37 WeakPolarHBondContact O-CG 3.27Å; I33-K37 PolarHBondContact O-N 3.04Å; A34-K37 PolarHBondContact O-N 3.09Å; G35-K37 PolarHBondContact O-N 3.37Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-V40 PolarHBondContact O-N 3.43Å; K37-R41 WeakPolarHBondContact O-CG 3.48Å; K37-R41 PolarHBondContact O-N 3.38Å; K37-L61 HydrophobicContact CG-CD1 4.1Å; K37-E65 WeakPolarHBondContact CE-OE1 3.36Å; K37-E65 IonicContact NZ-OE1 2.57Å; K37-E65 PolarHBondContact NZ-OE1 3.28Å |
| 38 | G | 88.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F8 V13 A34 G35 W36 V40 R41 F42 | F8-G38 WeakPolarHBondContact CD2-O 3.48Å; F8-G38 VanDerWaalsContact CE2-O 3.24Å; F8-G38 WeakPolarHBondContact CE2-O 3.21Å; V13-G38 VanDerWaalsContact CG2-C 3.49Å; A34-G38 PolarHBondContact O-N 3.41Å; G35-G38 PolarHBondContact O-N 2.9Å; W36-G38 VanDerWaalsContact C-N 3.32Å; W36-G38 PolarHBondContact O-N 3.18Å; G38-V40 PolarHBondContact O-N 3.45Å; G38-R41 WeakPolarHBondContact O-CB 2.82Å; G38-R41 PolarHBondContact O-N 2.87Å; G38-F42 PolarHBondContact O-N 3.02Å |
| 39 | L | 86.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 173.6 | -69.2 | 170.1 | 0 | 0 | 0 | 112.9 | V13 F17 G35 W36 K37 F42 L43 L117 L120 | V13-L39 HydrophobicContact CG1-CD2 3.67Å; V13-L39 HydrophobicContact CG1-CG 3.75Å; F17-L39 HydrophobicContact CE2-CD1 3.59Å; F17-L39 HydrophobicContact CE2-CG 4.21Å; F17-L39 HydrophobicContact CZ-CD1 3.75Å; G35-L39 WeakPolarHBondContact O-CG 3.36Å; G35-L39 PolarHBondContact O-N 2.89Å; W36-L39 HydrophobicContact CD2-CD1 4.37Å; W36-L39 HydrophobicContact CE3-CB 4.42Å; W36-L39 HydrophobicContact CE3-CD1 4.14Å; W36-L39 HydrophobicContact CZ3-CD1 4.41Å; W36-L39 WeakPolarHBondContact O-CB 3.42Å; W36-L39 PolarHBondContact O-N 2.99Å; K37-L39 VanDerWaalsContact C-N 3.35Å; L39-F42 VanDerWaalsContact O-CB 3.32Å; L39-F42 WeakPolarHBondContact O-CB 3.41Å; L39-F42 PolarHBondContact O-N 2.75Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 2.89Å; L39-L117 HydrophobicContact CD1-CD1 4.3Å; L39-L120 HydrophobicContact CB-CD2 4.34Å; L39-L120 HydrophobicContact CD1-CD2 3.34Å; L39-L120 HydrophobicContact CD2-CD2 3.49Å; L39-L120 VanDerWaalsContact CD2-CD2 3.49Å; L39-L120 HydrophobicContact CG-CD2 3.88Å |
| 40 | V | 88.5 | Confident | 85.6 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.2 | 165.5 | 0 | 0 | 0 | 0 | 111 | W36 K37 G38 F42 L43 N44 V57 V58 L61 | W36-V40 WeakPolarHBondContact O-CG2 3.5Å; W36-V40 PolarHBondContact O-N 3.16Å; K37-V40 PolarHBondContact O-N 3.43Å; G38-V40 PolarHBondContact O-N 3.45Å; V40-F42 VanDerWaalsContact C-N 3.31Å; V40-F42 PolarHBondContact O-N 2.92Å; V40-L43 PolarHBondContact O-N 3.24Å; V40-N44 WeakPolarHBondContact O-CB 3.39Å; V40-N44 PolarHBondContact O-N 3.17Å; V40-N44 PolarHBondContact O-ND2 3.27Å; V40-N44 PolarHBondContact O-OD1 2.98Å; V40-V57 HydrophobicContact CG2-CB 4.18Å; V40-V57 HydrophobicContact CG2-CG1 3.61Å; V40-V58 HydrophobicContact CG1-CG2 3.57Å; V40-V58 HydrophobicContact CG2-CG2 4.29Å; V40-L61 HydrophobicContact CG2-CD1 4.17Å |
| 41 | R | 86.8 | Confident | 84.7 | Confident | 172 Ų | 172 | 36.6 Ų | 36.6 | 65% | 0.649 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.5 | -43 | 175.8 | -71.6 | 174.8 | -177.2 | -166.5 | -1.7 | 111.2 | F8 K37 G38 N44 S45 | F8-R41 HydrophobicContact CD2-CB 4.37Å; K37-R41 WeakPolarHBondContact O-CG 3.48Å; K37-R41 PolarHBondContact O-N 3.38Å; G38-R41 WeakPolarHBondContact O-CB 2.82Å; G38-R41 PolarHBondContact O-N 2.87Å; R41-N44 PolarHBondContact O-N 3.46Å; R41-S45 PolarHBondContact O-N 3.29Å |
| 42 | F | 83.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.9 | -57.2 | 172.8 | 179.3 | -132.5 | 0 | 0 | 0 | 111.7 | F8 G38 L39 V40 N44 S45 L46 F173 A176 M177 | F8-F42 HydrophobicContact CD1-CB 4.05Å; F8-F42 AromaticContact CD1-CD2 3.43Å; F8-F42 HydrophobicContact CD1-CD2 3.43Å; F8-F42 VanDerWaalsContact CD1-CD2 3.43Å; F8-F42 HydrophobicContact CD1-CE2 4.3Å; F8-F42 HydrophobicContact CD1-CG 4.1Å; F8-F42 HydrophobicContact CD2-CB 3.68Å; F8-F42 HydrophobicContact CE1-CB 3.72Å; F8-F42 AromaticContact CE1-CD2 3.11Å; F8-F42 HydrophobicContact CE1-CD2 3.11Å; F8-F42 AromaticContact CE1-CE2 3.87Å; F8-F42 HydrophobicContact CE1-CE2 3.87Å; F8-F42 AromaticContact CE1-CG 3.57Å; F8-F42 HydrophobicContact CE1-CG 3.57Å; F8-F42 HydrophobicContact CE2-CB 3.38Å; F8-F42 HydrophobicContact CE2-CD2 4.42Å; F8-F42 HydrophobicContact CE2-CG 4.14Å; F8-F42 HydrophobicContact CG-CB 4.02Å; F8-F42 HydrophobicContact CG-CD2 4.18Å; F8-F42 HydrophobicContact CZ-CB 3.37Å; F8-F42 AromaticContact CZ-CD2 3.68Å; F8-F42 HydrophobicContact CZ-CD2 3.68Å; F8-F42 AromaticContact CZ-CG 3.59Å; F8-F42 HydrophobicContact CZ-CG 3.59Å; G38-F42 PolarHBondContact O-N 3.02Å; L39-F42 VanDerWaalsContact O-CB 3.32Å; L39-F42 WeakPolarHBondContact O-CB 3.41Å; L39-F42 PolarHBondContact O-N 2.75Å; V40-F42 VanDerWaalsContact C-N 3.31Å; V40-F42 PolarHBondContact O-N 2.92Å; F42-N44 VanDerWaalsContact C-N 3.27Å; F42-N44 PolarHBondContact O-N 3.19Å; F42-S45 WeakPolarHBondContact O-CB 3.41Å; F42-S45 PolarHBondContact O-N 3.41Å; F42-S45 PolarHBondContact O-OG 2.98Å; F42-L46 HydrophobicContact CE1-CD1 4.38Å; F42-L46 HydrophobicContact CE2-CD2 4.42Å; F42-L46 HydrophobicContact CZ-CD1 4.25Å; F42-F173 AromaticContact CE1-CE1 3.52Å; F42-F173 HydrophobicContact CE1-CE1 3.52Å; F42-F173 AromaticContact CE1-CZ 3.56Å; F42-F173 HydrophobicContact CE1-CZ 3.56Å; F42-F173 AromaticContact CZ-CD1 3.94Å; F42-F173 HydrophobicContact CZ-CD1 3.94Å; F42-F173 AromaticContact CZ-CE1 3.27Å; F42-F173 HydrophobicContact CZ-CE1 3.27Å; F42-F173 AromaticContact CZ-CZ 3.62Å; F42-F173 HydrophobicContact CZ-CZ 3.62Å; F42-A176 HydrophobicContact CE2-CB 4.36Å; F42-M177 HydrophobicContact CE1-CE 4.17Å; F42-M177 HydrophobicContact CE2-CE 4.47Å; F42-M177 HydrophobicContact CE2-CG 3.8Å; F42-M177 HydrophobicContact CZ-CE 3.65Å; F42-M177 HydrophobicContact CZ-CG 3.9Å |
| 43 | L | 80.8 | Confident | 82.7 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | -176.5 | -69.7 | 176.1 | 0 | 0 | 0 | 110.2 | L39 V40 S45 L46 F50 | L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 2.89Å; V40-L43 PolarHBondContact O-N 3.24Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 PolarHBondContact O-N 2.97Å; L43-F50 HydrophobicContact CB-CB 4.22Å; L43-F50 HydrophobicContact CB-CD1 4.32Å; L43-F50 HydrophobicContact CD2-CD1 3.99Å; L43-F50 HydrophobicContact CD2-CE1 4.5Å; L43-F50 WeakPolarHBondContact O-CB 3.32Å; L43-F50 WeakPolarHBondContact O-CG 3.29Å |
| 44 | N | 83.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -28.8 | 179.2 | -67 | -9.4 | 0 | 0 | 0 | 113.5 | V40 R41 F42 L46 G47 S51 S54 | V40-N44 WeakPolarHBondContact O-CB 3.39Å; V40-N44 PolarHBondContact O-N 3.17Å; V40-N44 PolarHBondContact O-ND2 3.27Å; V40-N44 PolarHBondContact O-OD1 2.98Å; R41-N44 PolarHBondContact O-N 3.46Å; F42-N44 VanDerWaalsContact C-N 3.27Å; F42-N44 PolarHBondContact O-N 3.19Å; N44-L46 PolarHBondContact O-N 3.16Å; N44-G47 PolarHBondContact O-N 3.47Å; N44-S51 WeakPolarHBondContact OD1-CA 3.44Å; N44-S54 WeakPolarHBondContact OD1-CB 3.35Å; N44-S54 PolarHBondContact OD1-OG 3.04Å |
| 45 | S | 81.1 | Confident | 81.9 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -22.2 | 175.2 | 78.3 | 0 | 0 | 0 | 0 | 113.1 | R41 F42 L43 G47 | R41-S45 PolarHBondContact O-N 3.29Å; F42-S45 WeakPolarHBondContact O-CB 3.41Å; F42-S45 PolarHBondContact O-N 3.41Å; F42-S45 PolarHBondContact O-OG 2.98Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-G47 PolarHBondContact O-N 3.28Å |
| 46 | L | 76.1 | Confident | 81.8 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.5 | 178.3 | -56.9 | 168.5 | 0 | 0 | 0 | 113.2 | F42 L43 N44 F50 P168 F173 A176 | F42-L46 HydrophobicContact CE1-CD1 4.38Å; F42-L46 HydrophobicContact CE2-CD2 4.42Å; F42-L46 HydrophobicContact CZ-CD1 4.25Å; L43-L46 HydrophobicContact CD2-CD1 4.37Å; L43-L46 WeakPolarHBondContact O-CB 3.5Å; L43-L46 PolarHBondContact O-N 2.97Å; N44-L46 PolarHBondContact O-N 3.16Å; L46-F50 HydrophobicContact CB-CD2 3.5Å; L46-F50 VanDerWaalsContact CB-CD2 3.5Å; L46-F50 HydrophobicContact CB-CE2 3.99Å; L46-F50 HydrophobicContact CB-CG 4.06Å; L46-F50 HydrophobicContact CD1-CD2 4.43Å; L46-F50 HydrophobicContact CD1-CG 4.48Å; L46-P168 HydrophobicContact CD2-CG 4.4Å; L46-F173 HydrophobicContact CD1-CD2 3.78Å; L46-F173 HydrophobicContact CD1-CE1 4.5Å; L46-F173 HydrophobicContact CD1-CE2 3.16Å; L46-F173 HydrophobicContact CD1-CZ 3.54Å; L46-F173 HydrophobicContact CD2-CD2 4.05Å; L46-F173 HydrophobicContact CD2-CE2 4.27Å; L46-F173 HydrophobicContact CD2-CG 4.42Å; L46-F173 HydrophobicContact CG-CE2 4.33Å; L46-A176 HydrophobicContact CD2-CB 3.51Å |
| 47 | G | 75.6 | Confident | 81.8 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | trans | 115.5 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N44 S45 V49 F50 S51 | N44-G47 PolarHBondContact O-N 3.47Å; S45-G47 PolarHBondContact O-N 3.28Å; G47-V49 VanDerWaalsContact C-N 3.25Å; G47-V49 PolarHBondContact O-N 2.92Å; G47-V49 VanDerWaalsContact O-N 3.12Å; G47-F50 WeakPolarHBondContact O-CB 3.46Å; G47-F50 PolarHBondContact O-N 3.11Å; G47-S51 PolarHBondContact O-N 3.34Å | ||
| 48 | A | 75.3 | Confident | 81.9 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.1 | -27.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F50 S51 F52 | A48-F50 VanDerWaalsContact C-N 3.32Å; A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.16Å; A48-F52 PolarHBondContact O-N 3.47Å |
| 49 | V | 71.8 | Confident | 82.2 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 30% | 0.303 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | G47 F52 I53 A163 A166 | G47-V49 VanDerWaalsContact C-N 3.25Å; G47-V49 PolarHBondContact O-N 2.92Å; G47-V49 VanDerWaalsContact O-N 3.12Å; V49-F52 WeakPolarHBondContact O-CB 3.31Å; V49-F52 PolarHBondContact O-N 3.11Å; V49-I53 HydrophobicContact CG1-CD1 4.47Å; V49-I53 PolarHBondContact O-N 3.35Å; V49-A163 HydrophobicContact CG1-CB 3.55Å; V49-A163 WeakPolarHBondContact CG1-O 3.34Å; V49-A166 HydrophobicContact CB-CB 4.16Å; V49-A166 HydrophobicContact CG1-CB 4.16Å; V49-A166 HydrophobicContact CG2-CB 3.67Å |
| 50 | F | 71.4 | Confident | 82.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.9 | -32.7 | 175.9 | -72.5 | -77.4 | 0 | 0 | 0 | 112.7 | L43 L46 G47 A48 F52 I53 S54 L167 | L43-F50 HydrophobicContact CB-CB 4.22Å; L43-F50 HydrophobicContact CB-CD1 4.32Å; L43-F50 HydrophobicContact CD2-CD1 3.99Å; L43-F50 HydrophobicContact CD2-CE1 4.5Å; L43-F50 WeakPolarHBondContact O-CB 3.32Å; L43-F50 WeakPolarHBondContact O-CG 3.29Å; L46-F50 HydrophobicContact CB-CD2 3.5Å; L46-F50 VanDerWaalsContact CB-CD2 3.5Å; L46-F50 HydrophobicContact CB-CE2 3.99Å; L46-F50 HydrophobicContact CB-CG 4.06Å; L46-F50 HydrophobicContact CD1-CD2 4.43Å; L46-F50 HydrophobicContact CD1-CG 4.48Å; G47-F50 WeakPolarHBondContact O-CB 3.46Å; G47-F50 PolarHBondContact O-N 3.11Å; A48-F50 VanDerWaalsContact C-N 3.32Å; F50-F52 PolarHBondContact O-N 3.01Å; F50-I53 HydrophobicContact CD1-CD1 4.36Å; F50-I53 HydrophobicContact CE1-CD1 4.28Å; F50-I53 PolarHBondContact O-N 3.07Å; F50-I53 VanDerWaalsContact O-N 3.14Å; F50-S54 VanDerWaalsContact O-CB 3.3Å; F50-S54 WeakPolarHBondContact O-CB 3.47Å; F50-S54 PolarHBondContact O-N 3.41Å; F50-S54 PolarHBondContact O-OG 3.28Å; F50-S54 VanDerWaalsContact O-OG 3.13Å; F50-L167 HydrophobicContact CE1-CD2 3.84Å; F50-L167 HydrophobicContact CE2-CD2 3.79Å; F50-L167 HydrophobicContact CE2-CG 4.31Å; F50-L167 HydrophobicContact CZ-CD2 3.06Å; F50-L167 HydrophobicContact CZ-CG 3.59Å |
| 51 | S | 75.6 | Confident | 83 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -26.9 | 171.1 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | N44 G47 A48 K55 | N44-S51 WeakPolarHBondContact OD1-CA 3.44Å; G47-S51 PolarHBondContact O-N 3.34Å; A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.16Å; S51-K55 VanDerWaalsContact O-CG 3.27Å; S51-K55 WeakPolarHBondContact O-CG 3.4Å |
| 52 | F | 73.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 48.5 Ų | 48.5 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -72.8 | -45.5 | 172 | 175.3 | -98 | 0 | 0 | 0 | 111.6 | A48 V49 F50 | A48-F52 PolarHBondContact O-N 3.47Å; V49-F52 WeakPolarHBondContact O-CB 3.31Å; V49-F52 PolarHBondContact O-N 3.11Å; F50-F52 PolarHBondContact O-N 3.01Å |
| 53 | I | 74.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | -179.4 | -62.7 | 162 | 0 | 0 | 0 | 111.1 | V49 F50 K55 A163 | V49-I53 HydrophobicContact CG1-CD1 4.47Å; V49-I53 PolarHBondContact O-N 3.35Å; F50-I53 HydrophobicContact CD1-CD1 4.36Å; F50-I53 HydrophobicContact CE1-CD1 4.28Å; F50-I53 PolarHBondContact O-N 3.07Å; F50-I53 VanDerWaalsContact O-N 3.14Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.32Å; I53-A163 HydrophobicContact CD1-CB 3.84Å; I53-A163 HydrophobicContact CG1-CB 4.37Å |
| 54 | S | 85.1 | Confident | 85 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.9 | -16.8 | -175.5 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | N44 F50 D56 V57 V58 | N44-S54 WeakPolarHBondContact OD1-CB 3.35Å; N44-S54 PolarHBondContact OD1-OG 3.04Å; F50-S54 VanDerWaalsContact O-CB 3.3Å; F50-S54 WeakPolarHBondContact O-CB 3.47Å; F50-S54 PolarHBondContact O-N 3.41Å; F50-S54 PolarHBondContact O-OG 3.28Å; F50-S54 VanDerWaalsContact O-OG 3.13Å; S54-D56 PolarHBondContact O-N 3.4Å; S54-V57 WeakPolarHBondContact O-CA 3.35Å; S54-V57 WeakPolarHBondContact O-CB 3.43Å; S54-V57 PolarHBondContact O-N 3.5Å; S54-V58 WeakPolarHBondContact O-CG2 3.46Å; S54-V58 PolarHBondContact O-N 2.9Å |
| 55 | K | 86.6 | Confident | 85.7 | Confident | 138 Ų | 138 | 49.3 Ų | 49.3 | 60% | 0.6 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -53.2 | -42.8 | 177.4 | -88.2 | 167.5 | -171 | -173.7 | 0 | 112.8 | S51 I53 V57 V58 A59 | S51-K55 VanDerWaalsContact O-CG 3.27Å; S51-K55 WeakPolarHBondContact O-CG 3.4Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.32Å; K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.33Å; K55-V58 PolarHBondContact O-N 2.89Å; K55-A59 WeakPolarHBondContact O-CB 3.45Å; K55-A59 PolarHBondContact O-N 3.29Å |
| 56 | D | 88.6 | Confident | 86.5 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | -178.9 | -177.9 | 64.4 | 0 | 0 | 0 | 112 | S54 K60 | S54-D56 PolarHBondContact O-N 3.4Å; D56-K60 WeakPolarHBondContact O-CG 3.23Å; D56-K60 PolarHBondContact O-N 3Å; D56-K60 PolarHBondContact O-NZ 3.13Å; D56-K60 IonicContact OD1-NZ 2.67Å; D56-K60 PolarHBondContact OD1-NZ 2.85Å; D56-K60 IonicContact OD2-NZ 2.61Å; D56-K60 PolarHBondContact OD2-NZ 3.44Å |
| 57 | V | 92.8 | Very high | 87.4 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -49.2 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 110 | W36 V40 S54 K55 A59 K60 L61 L113 | W36-V57 HydrophobicContact CD2-CG1 4.3Å; W36-V57 HydrophobicContact CE3-CG1 3.52Å; W36-V57 HydrophobicContact CZ3-CG1 3.8Å; W36-V57 HydrophobicContact CZ3-CG2 4.38Å; V40-V57 HydrophobicContact CG2-CB 4.18Å; V40-V57 HydrophobicContact CG2-CG1 3.61Å; S54-V57 WeakPolarHBondContact O-CA 3.35Å; S54-V57 WeakPolarHBondContact O-CB 3.43Å; S54-V57 PolarHBondContact O-N 3.5Å; K55-V57 VanDerWaalsContact C-N 3.31Å; K55-V57 PolarHBondContact O-N 3.33Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 3.41Å; V57-K60 WeakPolarHBondContact O-CB 3.32Å; V57-K60 PolarHBondContact O-N 3.12Å; V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 HydrophobicContact CG1-CG 4.38Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.05Å; V57-L113 HydrophobicContact CG1-CD2 3.77Å |
| 58 | V | 94.3 | Very high | 88.4 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.3 | -46.2 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | V40 S54 K55 K60 L61 Q62 | V40-V58 HydrophobicContact CG1-CG2 3.57Å; V40-V58 HydrophobicContact CG2-CG2 4.29Å; S54-V58 WeakPolarHBondContact O-CG2 3.46Å; S54-V58 PolarHBondContact O-N 2.9Å; K55-V58 PolarHBondContact O-N 2.89Å; V58-K60 PolarHBondContact O-N 3.39Å; V58-L61 PolarHBondContact O-N 3.39Å; V58-Q62 WeakPolarHBondContact O-CG 3.02Å; V58-Q62 PolarHBondContact O-N 3.14Å |
| 59 | A | 95.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -34.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K55 V57 I63 | K55-A59 WeakPolarHBondContact O-CB 3.45Å; K55-A59 PolarHBondContact O-N 3.29Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 3.41Å; A59-I63 WeakPolarHBondContact O-CG1 2.88Å; A59-I63 PolarHBondContact O-N 3.29Å |
| 60 | K | 96.1 | Very high | 90.5 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.7 | -40.4 | 176.3 | -71 | 172.9 | -175.5 | 67.4 | 0 | 112.3 | D56 V57 V58 Q62 I63 M64 T109 R112 L113 | D56-K60 WeakPolarHBondContact O-CG 3.23Å; D56-K60 PolarHBondContact O-N 3Å; D56-K60 PolarHBondContact O-NZ 3.13Å; D56-K60 IonicContact OD1-NZ 2.67Å; D56-K60 PolarHBondContact OD1-NZ 2.85Å; D56-K60 IonicContact OD2-NZ 2.61Å; D56-K60 PolarHBondContact OD2-NZ 3.44Å; V57-K60 WeakPolarHBondContact O-CB 3.32Å; V57-K60 PolarHBondContact O-N 3.12Å; V58-K60 PolarHBondContact O-N 3.39Å; K60-Q62 VanDerWaalsContact C-N 3.27Å; K60-Q62 PolarHBondContact O-N 2.8Å; K60-I63 WeakPolarHBondContact O-CB 3.41Å; K60-I63 PolarHBondContact O-N 3.46Å; K60-I63 VanDerWaalsContact O-N 3.09Å; K60-M64 WeakPolarHBondContact O-CG 3.39Å; K60-M64 PolarHBondContact O-N 2.94Å; K60-T109 HydrophobicContact CB-CG2 3.68Å; K60-T109 HydrophobicContact CG-CG2 3.95Å; K60-T109 WeakPolarHBondContact O-CG2 3.49Å; K60-R112 HydrophobicContact CD-CB 3.71Å; K60-L113 HydrophobicContact CB-CD1 4.24Å; K60-L113 HydrophobicContact CB-CD2 3.9Å; K60-L113 HydrophobicContact CB-CG 4.05Å; K60-L113 HydrophobicContact CD-CD2 4.14Å; K60-L113 HydrophobicContact CD-CG 4.23Å |
| 61 | L | 96.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 173.8 | -61.2 | 176 | 0 | 0 | 0 | 110.5 | W36 K37 V40 V57 V58 I63 M64 E65 L113 | W36-L61 HydrophobicContact CB-CD1 3.88Å; W36-L61 HydrophobicContact CB-CD2 3.46Å; W36-L61 VanDerWaalsContact CB-CD2 3.46Å; W36-L61 HydrophobicContact CB-CG 4.27Å; W36-L61 HydrophobicContact CG-CD2 3.97Å; K37-L61 HydrophobicContact CG-CD1 4.1Å; V40-L61 HydrophobicContact CG2-CD1 4.17Å; V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 HydrophobicContact CG1-CG 4.38Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.05Å; V58-L61 PolarHBondContact O-N 3.39Å; L61-I63 VanDerWaalsContact C-N 3.29Å; L61-I63 PolarHBondContact O-N 2.87Å; L61-M64 PolarHBondContact O-N 3.39Å; L61-M64 VanDerWaalsContact O-N 3.08Å; L61-E65 VanDerWaalsContact O-CG 3.3Å; L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 3.47Å; L61-L113 HydrophobicContact CD2-CD1 3.86Å; L61-L113 HydrophobicContact CD2-CD2 4.29Å |
| 62 | Q | 96.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 62.5 Ų | 62.5 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -32.4 | 174.7 | -70.4 | 174.3 | -15 | 0 | 0 | 113.5 | V58 K60 R66 | V58-Q62 WeakPolarHBondContact O-CG 3.02Å; V58-Q62 PolarHBondContact O-N 3.14Å; K60-Q62 VanDerWaalsContact C-N 3.27Å; K60-Q62 PolarHBondContact O-N 2.8Å; Q62-R66 VanDerWaalsContact O-CG 3.29Å; Q62-R66 WeakPolarHBondContact O-CG 3.34Å; Q62-R66 PolarHBondContact O-N 3Å; Q62-R66 PolarHBondContact O-NE 3.06Å |
| 63 | I | 97.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 171 | -68.8 | 164.3 | 0 | 0 | 0 | 109.7 | A59 K60 L61 E65 R66 L67 H104 T109 | A59-I63 WeakPolarHBondContact O-CG1 2.88Å; A59-I63 PolarHBondContact O-N 3.29Å; K60-I63 WeakPolarHBondContact O-CB 3.41Å; K60-I63 PolarHBondContact O-N 3.46Å; K60-I63 VanDerWaalsContact O-N 3.09Å; L61-I63 VanDerWaalsContact C-N 3.29Å; L61-I63 PolarHBondContact O-N 2.87Å; I63-E65 PolarHBondContact O-N 3.39Å; I63-R66 PolarHBondContact O-N 3.22Å; I63-L67 HydrophobicContact CG2-CD1 4.06Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 3.07Å; I63-H104 HydrophobicContact CD1-CB 4.4Å; I63-H104 HydrophobicContact CG2-CB 4.42Å; I63-T109 HydrophobicContact CB-CG2 4.02Å; I63-T109 HydrophobicContact CD1-CG2 4.41Å; I63-T109 HydrophobicContact CG2-CG2 3.98Å |
| 64 | M | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | -178.6 | -64.4 | -47.5 | -58 | 0 | 0 | 112.7 | L29 I33 K60 L61 R66 L67 R68 Y76 M82 T109 V110 L113 | L29-M64 HydrophobicContact CD1-CE 4.02Å; L29-M64 HydrophobicContact CD2-CE 3.91Å; I33-M64 HydrophobicContact CD1-CB 3.82Å; I33-M64 HydrophobicContact CG1-CB 4.13Å; K60-M64 WeakPolarHBondContact O-CG 3.39Å; K60-M64 PolarHBondContact O-N 2.94Å; L61-M64 PolarHBondContact O-N 3.39Å; L61-M64 VanDerWaalsContact O-N 3.08Å; M64-R66 VanDerWaalsContact C-N 3.35Å; M64-R66 PolarHBondContact O-N 2.99Å; M64-L67 HydrophobicContact CE-CD1 4.39Å; M64-L67 PolarHBondContact O-N 2.9Å; M64-L67 HydrophobicContact SD-CD1 4.11Å; M64-R68 WeakPolarHBondContact O-CB 3.31Å; M64-R68 WeakPolarHBondContact O-CG 3.47Å; M64-R68 PolarHBondContact O-N 3.43Å; M64-Y76 HydrophobicContact CE-CD1 4.48Å; M64-M82 HydrophobicContact CE-SD 3.68Å; M64-T109 HydrophobicContact CG-CG2 3.89Å; M64-T109 HydrophobicContact SD-CG2 3.72Å; M64-V110 HydrophobicContact CE-CG2 3.66Å; M64-V110 HydrophobicContact CG-CG2 4.22Å; M64-V110 HydrophobicContact SD-CG2 3.72Å; M64-L113 HydrophobicContact CG-CD1 4.42Å |
| 65 | E | 97.4 | Very high | 95.3 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 174.7 | -71.4 | 176.7 | 122.6 | 0 | 0 | 111.9 | I33 K37 L61 I63 L67 R68 S69 | I33-E65 HydrophobicContact CD1-CG 4.49Å; I33-E65 HydrophobicContact CG2-CG 4.02Å; K37-E65 WeakPolarHBondContact CE-OE1 3.36Å; K37-E65 IonicContact NZ-OE1 2.57Å; K37-E65 PolarHBondContact NZ-OE1 3.28Å; L61-E65 VanDerWaalsContact O-CG 3.3Å; L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 3.47Å; I63-E65 PolarHBondContact O-N 3.39Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.13Å; E65-R68 PolarHBondContact O-N 3.35Å; E65-S69 WeakPolarHBondContact O-CB 3.48Å; E65-S69 PolarHBondContact O-N 3Å; E65-S69 PolarHBondContact O-OG 2.91Å |
| 66 | R | 97.3 | Very high | 95.8 | Very high | 159 Ų | 159 | 61.1 Ų | 61.1 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 176.4 | -76 | -176.8 | -65.3 | -171.2 | 2.6 | 112.4 | Q62 I63 M64 S69 S70 | Q62-R66 VanDerWaalsContact O-CG 3.29Å; Q62-R66 WeakPolarHBondContact O-CG 3.34Å; Q62-R66 PolarHBondContact O-N 3Å; Q62-R66 PolarHBondContact O-NE 3.06Å; I63-R66 PolarHBondContact O-N 3.22Å; M64-R66 VanDerWaalsContact C-N 3.35Å; M64-R66 PolarHBondContact O-N 2.99Å; R66-S69 PolarHBondContact O-N 3.17Å; R66-S69 PolarHBondContact O-OG 3.07Å; R66-S70 WeakPolarHBondContact O-CB 3.49Å; R66-S70 PolarHBondContact O-N 3.29Å; R66-S70 VanDerWaalsContact O-N 3.14Å |
| 67 | L | 96.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 175.1 | -66.1 | 170.8 | 0 | 0 | 0 | 110.9 | I63 M64 E65 S69 S70 Y76 | I63-L67 HydrophobicContact CG2-CD1 4.06Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 3.07Å; M64-L67 HydrophobicContact CE-CD1 4.39Å; M64-L67 PolarHBondContact O-N 2.9Å; M64-L67 HydrophobicContact SD-CD1 4.11Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.13Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.27Å; L67-S70 WeakPolarHBondContact O-CB 3.4Å; L67-S70 PolarHBondContact O-N 3.14Å; L67-S70 PolarHBondContact O-OG 2.98Å; L67-Y76 HydrophobicContact CB-CD1 3.89Å; L67-Y76 HydrophobicContact CB-CD2 4.13Å; L67-Y76 HydrophobicContact CB-CE1 3.88Å; L67-Y76 HydrophobicContact CB-CE2 4.14Å; L67-Y76 HydrophobicContact CB-CG 4.03Å; L67-Y76 HydrophobicContact CD1-CD1 4.32Å; L67-Y76 HydrophobicContact CD1-CE1 3.73Å; L67-Y76 HydrophobicContact CD2-CE1 4.3Å; L67-Y76 HydrophobicContact CD2-CE2 4.31Å; L67-Y76 HydrophobicContact CG-CE1 4.17Å |
| 68 | R | 96.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -29.1 | 174.2 | -74.5 | -63.9 | -64.5 | 139.6 | -8.9 | 114.1 | D30 I33 M64 E65 S73 Y76 | D30-R68 VanDerWaalsContact CG-NH2 3.34Å; D30-R68 IonicContact OD1-CZ 3.42Å; D30-R68 IonicContact OD1-NE 2.76Å; D30-R68 PolarHBondContact OD1-NE 3.3Å; D30-R68 IonicContact OD1-NH2 3.23Å; D30-R68 PolarHBondContact OD1-NH2 2.77Å; D30-R68 IonicContact OD2-CZ 3.68Å; D30-R68 IonicContact OD2-NE 3.8Å; D30-R68 IonicContact OD2-NH2 2.74Å; D30-R68 PolarHBondContact OD2-NH2 3.26Å; I33-R68 HydrophobicContact CD1-CG 3.98Å; M64-R68 WeakPolarHBondContact O-CB 3.31Å; M64-R68 WeakPolarHBondContact O-CG 3.47Å; M64-R68 PolarHBondContact O-N 3.43Å; E65-R68 PolarHBondContact O-N 3.35Å; R68-S73 PolarHBondContact NH1-O 3.05Å; R68-S73 WeakPolarHBondContact O-CB 3.34Å; R68-Y76 WeakPolarHBondContact CD-O 3.25Å; R68-Y76 PolarHBondContact NE-O 3.47Å; R68-Y76 PolarHBondContact NH1-O 3.03Å |
| 69 | S | 95.6 | Very high | 96.6 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.7 | 176.5 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | E65 R66 L67 | E65-S69 WeakPolarHBondContact O-CB 3.48Å; E65-S69 PolarHBondContact O-N 3Å; E65-S69 PolarHBondContact O-OG 2.91Å; R66-S69 PolarHBondContact O-N 3.17Å; R66-S69 PolarHBondContact O-OG 3.07Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.27Å |
| 70 | S | 95 | Very high | 96.8 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -81.4 | 169.1 | -178.5 | 78.6 | 0 | 0 | 0 | 0 | 111.8 | R66 L67 Q72 S73 | R66-S70 WeakPolarHBondContact O-CB 3.49Å; R66-S70 PolarHBondContact O-N 3.29Å; R66-S70 VanDerWaalsContact O-N 3.14Å; L67-S70 WeakPolarHBondContact O-CB 3.4Å; L67-S70 PolarHBondContact O-N 3.14Å; L67-S70 PolarHBondContact O-OG 2.98Å; S70-Q72 PolarHBondContact O-N 3.02Å; S70-Q72 PolarHBondContact OG-N 3.31Å; S70-Q72 VanDerWaalsContact OG-N 3.14Å; S70-S73 VanDerWaalsContact O-CB 3.26Å; S70-S73 WeakPolarHBondContact O-CB 3.1Å; S70-S73 PolarHBondContact O-N 3.21Å |
| 71 | P | 95.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 56.3 Ų | 56.3 | 84% | 0.838 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.2 | 169.9 | -25.6 | 35.9 | 0 | 0 | 0 | 114.4 | S73 | P71-S73 VanDerWaalsContact C-N 3.35Š|
| 72 | Q | 95.2 | Very high | 96.9 | Very high | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 13.3 | 177.9 | -54.8 | -59 | -21.1 | 0 | 0 | 112.3 | S70 E74 H75 Y76 | S70-Q72 PolarHBondContact O-N 3.02Å; S70-Q72 PolarHBondContact OG-N 3.31Å; S70-Q72 VanDerWaalsContact OG-N 3.14Å; Q72-E74 PolarHBondContact O-N 3.29Å; Q72-E74 VanDerWaalsContact O-N 3.1Å; Q72-H75 WeakPolarHBondContact O-CB 3.2Å; Q72-H75 PolarHBondContact O-N 2.78Å; Q72-H75 PolarHBondContact OE1-CD2 3.3Å; Q72-H75 VanDerWaalsContact OE1-CD2 3.28Å; Q72-Y76 HydrophobicContact CB-CD2 4.4Å; Q72-Y76 HydrophobicContact CB-CE2 4.02Å; Q72-Y76 VanDerWaalsContact O-CD2 3.31Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.22Å |
| 73 | S | 95.1 | Very high | 97 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -48.6 | -41.6 | -172.6 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | R68 S70 P71 H75 Y76 A77 | R68-S73 PolarHBondContact NH1-O 3.05Å; R68-S73 WeakPolarHBondContact O-CB 3.34Å; S70-S73 VanDerWaalsContact O-CB 3.26Å; S70-S73 WeakPolarHBondContact O-CB 3.1Å; S70-S73 PolarHBondContact O-N 3.21Å; P71-S73 VanDerWaalsContact C-N 3.35Å; S73-H75 PolarHBondContact O-N 3.02Å; S73-Y76 CarbonylContact O-C 3.45Å; S73-Y76 WeakPolarHBondContact O-CA 3.44Å; S73-Y76 PolarHBondContact O-N 2.61Å; S73-A77 PolarHBondContact O-N 3.44Å |
| 74 | E | 95.8 | Very high | 97 | Very high | 163 Ų | 163 | 53 Ų | 53 | 76% | 0.762 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -56.1 | -36.4 | 179.2 | -63.4 | -171.9 | 166.3 | 0 | 0 | 112.8 | Q72 Y76 A77 | Q72-E74 PolarHBondContact O-N 3.29Å; Q72-E74 VanDerWaalsContact O-N 3.1Å; E74-Y76 PolarHBondContact O-N 3.37Å; E74-A77 WeakPolarHBondContact O-CB 3.29Å; E74-A77 PolarHBondContact O-N 2.97Å |
| 75 | H | 97.8 | Very high | 97 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -70.3 | -20.6 | 176 | -63.3 | -49 | 0 | 0 | 0 | 113.1 | Q72 S73 S81 M82 Y85 | Q72-H75 WeakPolarHBondContact O-CB 3.2Å; Q72-H75 PolarHBondContact O-N 2.78Å; Q72-H75 PolarHBondContact OE1-CD2 3.3Å; Q72-H75 VanDerWaalsContact OE1-CD2 3.28Å; S73-H75 PolarHBondContact O-N 3.02Å; H75-S81 CarbonylContact O-C 3.06Å; H75-S81 WeakPolarHBondContact O-CB 3.38Å; H75-S81 PolarHBondContact O-OG 3.16Å; H75-M82 WeakPolarHBondContact O-CA 3.42Å; H75-M82 PolarHBondContact O-N 3.45Å; H75-Y85 HydrophobicContact CB-CD1 3.79Å; H75-Y85 HydrophobicContact CB-CD2 3.94Å; H75-Y85 HydrophobicContact CB-CE1 4.42Å; H75-Y85 HydrophobicContact CB-CG 3.53Å; H75-Y85 AromaticContact CD2-CD2 3.32Å; H75-Y85 WeakPolarHBondContact CD2-CD2 3.24Å; H75-Y85 AromaticContact CD2-CE2 3.4Å; H75-Y85 WeakPolarHBondContact CD2-CE2 3.37Å; H75-Y85 AromaticContact CD2-CG 3.88Å; H75-Y85 AromaticContact CG-CD2 3.45Å; H75-Y85 VanDerWaalsContact CG-CD2 3.45Å; H75-Y85 AromaticContact CG-CE2 3.99Å; H75-Y85 AromaticContact CG-CG 3.59Å; H75-Y85 AromaticContact ND1-CD2 3.91Å; H75-Y85 AromaticContact NE2-CD2 3.73Å; H75-Y85 AromaticContact NE2-CE2 3.84Å |
| 76 | Y | 97.8 | Very high | 97 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -98.2 | 20.5 | 175.9 | -62.7 | -87 | 0 | 0 | 0 | 111.9 | L29 M64 L67 R68 Q72 S73 E74 M82 Y85 E86 | L29-Y76 WeakPolarHBondContact CB-O 3.41Å; L29-Y76 WeakPolarHBondContact CD1-O 3.37Å; M64-Y76 HydrophobicContact CE-CD1 4.48Å; L67-Y76 HydrophobicContact CB-CD1 3.89Å; L67-Y76 HydrophobicContact CB-CD2 4.13Å; L67-Y76 HydrophobicContact CB-CE1 3.88Å; L67-Y76 HydrophobicContact CB-CE2 4.14Å; L67-Y76 HydrophobicContact CB-CG 4.03Å; L67-Y76 HydrophobicContact CD1-CD1 4.32Å; L67-Y76 HydrophobicContact CD1-CE1 3.73Å; L67-Y76 HydrophobicContact CD2-CE1 4.3Å; L67-Y76 HydrophobicContact CD2-CE2 4.31Å; L67-Y76 HydrophobicContact CG-CE1 4.17Å; R68-Y76 WeakPolarHBondContact CD-O 3.25Å; R68-Y76 PolarHBondContact NE-O 3.47Å; R68-Y76 PolarHBondContact NH1-O 3.03Å; Q72-Y76 HydrophobicContact CB-CD2 4.4Å; Q72-Y76 HydrophobicContact CB-CE2 4.02Å; Q72-Y76 VanDerWaalsContact O-CD2 3.31Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.22Å; S73-Y76 CarbonylContact O-C 3.45Å; S73-Y76 WeakPolarHBondContact O-CA 3.44Å; S73-Y76 PolarHBondContact O-N 2.61Å; E74-Y76 PolarHBondContact O-N 3.37Å; Y76-M82 HydrophobicContact CD1-CB 4.07Å; Y76-M82 HydrophobicContact CD1-CG 3.55Å; Y76-M82 HydrophobicContact CD1-SD 3.89Å; Y76-M82 HydrophobicContact CE1-CB 4.48Å; Y76-M82 HydrophobicContact CE1-CG 3.59Å; Y76-M82 HydrophobicContact CE1-SD 4.07Å; Y76-Y85 HydrophobicContact CE2-CD1 4.3Å; Y76-Y85 HydrophobicContact CE2-CE1 4.07Å; Y76-E86 HydrophobicContact CE1-CG 4.42Å; Y76-E86 WeakPolarHBondContact CE1-OE1 3.44Å; Y76-E86 PolarHBondContact OH-OE1 3.23Å |
| 77 | A | 97.1 | Very high | 97 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -66.8 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L29 S73 E74 S81 | L29-A77 PolarHBondContact N-O 3.32Å; S73-A77 PolarHBondContact O-N 3.44Å; E74-A77 WeakPolarHBondContact O-CB 3.29Å; E74-A77 PolarHBondContact O-N 2.97Å; A77-S81 PolarHBondContact N-OG 2.65Å |
| 78 | S | 98 | Very high | 96.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -129.6 | 165.1 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | V27 Q80 S81 M82 | V27-S78 CarbonylContact O-C 3.58Å; V27-S78 WeakPolarHBondContact O-CA 3.22Å; V27-S78 WeakPolarHBondContact O-CB 3.19Å; S78-Q80 PolarHBondContact O-N 3.46Å; S78-S81 PolarHBondContact N-OG 3.13Å; S78-S81 VanDerWaalsContact N-OG 3.08Å; S78-S81 PolarHBondContact O-N 2.73Å; S78-S81 PolarHBondContact O-OG 3.28Å; S78-S81 PolarHBondContact OG-N 3.32Å; S78-S81 VanDerWaalsContact OG-N 3.09Å; S78-S81 PolarHBondContact OG-OG 3.45Å; S78-M82 WeakPolarHBondContact O-CB 3.49Å; S78-M82 PolarHBondContact O-N 3.19Å |
| 79 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 171.4 | -69.6 | -172 | 0 | 0 | 0 | 111.5 | V27 L29 M82 V83 V110 S203 L206 | V27-L79 HydrophobicContact CB-CB 4.13Å; V27-L79 HydrophobicContact CB-CD1 3.7Å; V27-L79 HydrophobicContact CB-CG 3.79Å; V27-L79 HydrophobicContact CG1-CD1 3.63Å; V27-L79 HydrophobicContact CG1-CG 3.87Å; V27-L79 HydrophobicContact CG2-CD1 4.15Å; V27-L79 PolarHBondContact O-N 3.32Å; L29-L79 HydrophobicContact CD1-CD2 4.39Å; L29-L79 HydrophobicContact CD2-CD2 3.54Å; L29-L79 HydrophobicContact CD2-CG 4.47Å; L29-L79 HydrophobicContact CG-CD2 3.95Å; L79-M82 HydrophobicContact CD2-CE 3.78Å; L79-M82 PolarHBondContact O-N 3.37Å; L79-V83 WeakPolarHBondContact O-CB 3.44Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.22Å; L79-V83 PolarHBondContact O-N 3.49Å; L79-V110 HydrophobicContact CD1-CG1 4.3Å; L79-V110 HydrophobicContact CD2-CB 4.35Å; L79-V110 HydrophobicContact CD2-CG1 3.7Å; L79-V110 HydrophobicContact CD2-CG2 3.98Å; L79-S203 VanDerWaalsContact CD1-OG 3.29Å; L79-S203 WeakPolarHBondContact CD1-OG 3.49Å; L79-L206 HydrophobicContact CB-CD2 3.81Å |
| 80 | Q | 98.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 178.7 | -71 | 78.6 | -3.9 | 0 | 0 | 111.5 | G25 E26 S78 M82 V83 A84 L206 | G25-Q80 PolarHBondContact O-NE2 3.47Å; E26-Q80 HydrophobicContact CG-CG 4.43Å; S78-Q80 PolarHBondContact O-N 3.46Å; Q80-M82 VanDerWaalsContact C-N 3.28Å; Q80-M82 PolarHBondContact O-N 2.78Å; Q80-V83 PolarHBondContact O-N 3.5Å; Q80-A84 WeakPolarHBondContact O-CB 3.28Å; Q80-A84 PolarHBondContact O-N 2.93Å; Q80-L206 HydrophobicContact CG-CD1 4.24Å; Q80-L206 HydrophobicContact CG-CD2 4.1Å |
| 81 | S | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | H75 A77 S78 Y85 | H75-S81 CarbonylContact O-C 3.06Å; H75-S81 WeakPolarHBondContact O-CB 3.38Å; H75-S81 PolarHBondContact O-OG 3.16Å; A77-S81 PolarHBondContact N-OG 2.65Å; S78-S81 PolarHBondContact N-OG 3.13Å; S78-S81 VanDerWaalsContact N-OG 3.08Å; S78-S81 PolarHBondContact O-N 2.73Å; S78-S81 PolarHBondContact O-OG 3.28Å; S78-S81 PolarHBondContact OG-N 3.32Å; S78-S81 VanDerWaalsContact OG-N 3.09Å; S78-S81 PolarHBondContact OG-OG 3.45Å; S81-Y85 VanDerWaalsContact O-CB 3.3Å; S81-Y85 WeakPolarHBondContact O-CB 3.38Å; S81-Y85 PolarHBondContact O-N 3.03Å |
| 82 | M | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 178.5 | 174.9 | -171.2 | 74.6 | 0 | 0 | 111 | L29 M64 H75 Y76 S78 L79 Q80 A84 Y85 E86 G106 V110 | L29-M82 HydrophobicContact CD1-CB 4.28Å; L29-M82 HydrophobicContact CD1-SD 4.08Å; M64-M82 HydrophobicContact CE-SD 3.68Å; H75-M82 WeakPolarHBondContact O-CA 3.42Å; H75-M82 PolarHBondContact O-N 3.45Å; Y76-M82 HydrophobicContact CD1-CB 4.07Å; Y76-M82 HydrophobicContact CD1-CG 3.55Å; Y76-M82 HydrophobicContact CD1-SD 3.89Å; Y76-M82 HydrophobicContact CE1-CB 4.48Å; Y76-M82 HydrophobicContact CE1-CG 3.59Å; Y76-M82 HydrophobicContact CE1-SD 4.07Å; S78-M82 WeakPolarHBondContact O-CB 3.49Å; S78-M82 PolarHBondContact O-N 3.19Å; L79-M82 HydrophobicContact CD2-CE 3.78Å; L79-M82 PolarHBondContact O-N 3.37Å; Q80-M82 VanDerWaalsContact C-N 3.28Å; Q80-M82 PolarHBondContact O-N 2.78Å; M82-A84 PolarHBondContact O-N 3.07Å; M82-Y85 PolarHBondContact O-N 2.69Å; M82-E86 HydrophobicContact CG-CG 4.42Å; M82-E86 WeakPolarHBondContact O-CG 3.32Å; M82-E86 PolarHBondContact O-N 3.1Å; M82-G106 VanDerWaalsContact SD-C 3.54Å; M82-V110 HydrophobicContact CE-CB 4.21Å; M82-V110 HydrophobicContact CE-CG2 4.06Å; M82-V110 HydrophobicContact SD-CG2 4.35Å |
| 83 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 179.2 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | L79 Q80 Y85 E86 V87 L206 Y207 H210 L212 | L79-V83 WeakPolarHBondContact O-CB 3.44Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.22Å; L79-V83 PolarHBondContact O-N 3.49Å; Q80-V83 PolarHBondContact O-N 3.5Å; V83-Y85 PolarHBondContact O-N 2.96Å; V83-E86 PolarHBondContact O-N 2.98Å; V83-V87 HydrophobicContact CG1-CG2 4.15Å; V83-V87 VanDerWaalsContact O-CB 3.23Å; V83-V87 WeakPolarHBondContact O-CB 3.32Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 3.33Å; V83-L206 HydrophobicContact CB-CD2 4.42Å; V83-L206 HydrophobicContact CG1-CD1 4.43Å; V83-L206 HydrophobicContact CG2-CD2 3.93Å; V83-L206 HydrophobicContact CG2-CG 4.21Å; V83-Y207 HydrophobicContact CG2-CE2 4.48Å; V83-H210 HydrophobicContact CG1-CB 4.1Å; V83-L212 HydrophobicContact CG1-CD1 3.9Å; V83-L212 HydrophobicContact CG2-CD1 4.21Å |
| 84 | A | 97.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q80 M82 S88 | Q80-A84 WeakPolarHBondContact O-CB 3.28Å; Q80-A84 PolarHBondContact O-N 2.93Å; M82-A84 PolarHBondContact O-N 3.07Å; A84-S88 VanDerWaalsContact O-CB 3.27Å; A84-S88 WeakPolarHBondContact O-CB 3.4Å; A84-S88 PolarHBondContact O-N 3.47Å; A84-S88 PolarHBondContact O-OG 2.91Å |
| 85 | Y | 98.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -51 | -179.7 | 168 | -105.3 | 0 | 0 | 0 | 113.1 | H75 Y76 S81 M82 V83 S88 N89 L91 | H75-Y85 HydrophobicContact CB-CD1 3.79Å; H75-Y85 HydrophobicContact CB-CD2 3.94Å; H75-Y85 HydrophobicContact CB-CE1 4.42Å; H75-Y85 HydrophobicContact CB-CG 3.53Å; H75-Y85 AromaticContact CD2-CD2 3.32Å; H75-Y85 WeakPolarHBondContact CD2-CD2 3.24Å; H75-Y85 AromaticContact CD2-CE2 3.4Å; H75-Y85 WeakPolarHBondContact CD2-CE2 3.37Å; H75-Y85 AromaticContact CD2-CG 3.88Å; H75-Y85 AromaticContact CG-CD2 3.45Å; H75-Y85 VanDerWaalsContact CG-CD2 3.45Å; H75-Y85 AromaticContact CG-CE2 3.99Å; H75-Y85 AromaticContact CG-CG 3.59Å; H75-Y85 AromaticContact ND1-CD2 3.91Å; H75-Y85 AromaticContact NE2-CD2 3.73Å; H75-Y85 AromaticContact NE2-CE2 3.84Å; Y76-Y85 HydrophobicContact CE2-CD1 4.3Å; Y76-Y85 HydrophobicContact CE2-CE1 4.07Å; S81-Y85 VanDerWaalsContact O-CB 3.3Å; S81-Y85 WeakPolarHBondContact O-CB 3.38Å; S81-Y85 PolarHBondContact O-N 3.03Å; M82-Y85 PolarHBondContact O-N 2.69Å; V83-Y85 PolarHBondContact O-N 2.96Å; Y85-S88 PolarHBondContact O-OG 3.3Å; Y85-S88 VanDerWaalsContact O-OG 3.09Å; Y85-N89 WeakPolarHBondContact CD2-ND2 3.34Å; Y85-N89 WeakPolarHBondContact O-CB 3.49Å; Y85-N89 PolarHBondContact O-N 2.85Å; Y85-N89 VanDerWaalsContact O-N 3.13Å; Y85-N89 PolarHBondContact O-ND2 3.16Å; Y85-L91 HydrophobicContact CD1-CD1 4.34Å; Y85-L91 HydrophobicContact CE1-CD1 3.57Å |
| 86 | E | 97.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.6 | -36 | -174.9 | -67.6 | -164.1 | 158 | 0 | 0 | 111.8 | Y76 M82 V83 K90 L91 V92 S105 G106 C107 | Y76-E86 HydrophobicContact CE1-CG 4.42Å; Y76-E86 WeakPolarHBondContact CE1-OE1 3.44Å; Y76-E86 PolarHBondContact OH-OE1 3.23Å; M82-E86 HydrophobicContact CG-CG 4.42Å; M82-E86 WeakPolarHBondContact O-CG 3.32Å; M82-E86 PolarHBondContact O-N 3.1Å; V83-E86 PolarHBondContact O-N 2.98Å; E86-K90 PolarHBondContact O-N 3.26Å; E86-K90 VanDerWaalsContact O-N 3.14Å; E86-L91 HydrophobicContact CB-CB 4.07Å; E86-L91 HydrophobicContact CG-CB 4.28Å; E86-L91 HydrophobicContact CG-CD1 4.46Å; E86-L91 PolarHBondContact O-N 3.36Å; E86-V92 HydrophobicContact CB-CG2 3.57Å; E86-S105 WeakPolarHBondContact OE2-CB 3.35Å; E86-G106 VanDerWaalsContact CD-N 3.31Å; E86-G106 WeakPolarHBondContact OE1-CA 3.29Å; E86-G106 PolarHBondContact OE1-N 3.11Å; E86-G106 PolarHBondContact OE2-N 3.41Å; E86-C107 WeakPolarHBondContact OE2-CB 3.21Å; E86-C107 PolarHBondContact OE2-N 3.39Å; E86-C107 PolarHBondContact OE2-SG 3.44Å |
| 87 | V | 95.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 35% | 0.345 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | V83 N89 K90 V92 L212 | V83-V87 HydrophobicContact CG1-CG2 4.15Å; V83-V87 VanDerWaalsContact O-CB 3.23Å; V83-V87 WeakPolarHBondContact O-CB 3.32Å; V83-V87 WeakPolarHBondContact O-CG2 3.49Å; V83-V87 PolarHBondContact O-N 3.33Å; V87-N89 PolarHBondContact O-N 2.79Å; V87-K90 PolarHBondContact O-N 3.5Å; V87-K90 VanDerWaalsContact O-N 3.13Å; V87-V92 HydrophobicContact CG2-CG2 4.5Å; V87-L212 HydrophobicContact CG2-CD1 4.24Å |
| 88 | S | 96.2 | Very high | 90 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -31.7 | -178.8 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | A84 Y85 | A84-S88 VanDerWaalsContact O-CB 3.27Å; A84-S88 WeakPolarHBondContact O-CB 3.4Å; A84-S88 PolarHBondContact O-N 3.47Å; A84-S88 PolarHBondContact O-OG 2.91Å; Y85-S88 PolarHBondContact O-OG 3.3Å; Y85-S88 VanDerWaalsContact O-OG 3.09Å |
| 89 | N | 95.5 | Very high | 88.9 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.7 | -179.1 | -68.3 | -80.4 | 0 | 0 | 0 | 113.7 | Y85 V87 L91 | Y85-N89 WeakPolarHBondContact CD2-ND2 3.34Å; Y85-N89 WeakPolarHBondContact O-CB 3.49Å; Y85-N89 PolarHBondContact O-N 2.85Å; Y85-N89 VanDerWaalsContact O-N 3.13Å; Y85-N89 PolarHBondContact O-ND2 3.16Å; V87-N89 PolarHBondContact O-N 2.79Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CG 3.82Å; N89-L91 PolarHBondContact O-N 3.5Å |
| 90 | K | 93.6 | Very high | 88 | Confident | 173 Ų | 173 | 71.4 Ų | 71.4 | 75% | 0.752 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 36.6 | -180 | -55.7 | 177.1 | -178.7 | 176.7 | 0 | 113.1 | E86 V87 V92 H102 | E86-K90 PolarHBondContact O-N 3.26Å; E86-K90 VanDerWaalsContact O-N 3.14Å; V87-K90 PolarHBondContact O-N 3.5Å; V87-K90 VanDerWaalsContact O-N 3.13Å; K90-V92 VanDerWaalsContact C-N 3.28Å; K90-H102 PolarHBondContact O-NE2 3.47Å |
| 91 | L | 93.8 | Very high | 87.2 | Confident | 44 Ų | 44 | 79.5 Ų | 79.5 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | trans | -88.8 | 4.5 | 177.5 | -55.3 | 178.8 | 0 | 0 | 0 | 112.4 | Y85 E86 N89 H102 S105 | Y85-L91 HydrophobicContact CD1-CD1 4.34Å; Y85-L91 HydrophobicContact CE1-CD1 3.57Å; E86-L91 HydrophobicContact CB-CB 4.07Å; E86-L91 HydrophobicContact CG-CB 4.28Å; E86-L91 HydrophobicContact CG-CD1 4.46Å; E86-L91 PolarHBondContact O-N 3.36Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CG 3.82Å; N89-L91 PolarHBondContact O-N 3.5Å; L91-H102 WeakPolarHBondContact O-CB 3.39Å; L91-S105 WeakPolarHBondContact O-CB 3.48Å | ||
| 92 | V | 91.1 | Very high | 86.6 | Confident | 18 Ų | 18 | 81.3 Ų | 81.3 | 11% | 0.109 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -114.7 | 127 | 176.8 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | E86 V87 K90 M94 C107 L212 | E86-V92 HydrophobicContact CB-CG2 3.57Å; V87-V92 HydrophobicContact CG2-CG2 4.5Å; K90-V92 VanDerWaalsContact C-N 3.28Å; V92-M94 HydrophobicContact CB-SD 4.32Å; V92-M94 HydrophobicContact CG1-SD 4.06Å; V92-M94 PolarHBondContact O-N 3.39Å; V92-C107 HydrophobicContact CG1-CB 4.15Å; V92-C107 HydrophobicContact CG2-CB 3.78Å; V92-L212 HydrophobicContact CG1-CD2 3.92Å |
| 93 | D | 85.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 15% | 0.15 | 42% | 0.418 | C | S | . | . | trans | -75.6 | 102.2 | 173.2 | -63 | -47.7 | 0 | 0 | 0 | 109.9 | P100 R101 H102 | D93-P100 VanDerWaalsContact OD2-CA 3.24Å; D93-P100 WeakPolarHBondContact OD2-CA 3.34Å; D93-P100 WeakPolarHBondContact OD2-CB 3.29Å; D93-R101 VanDerWaalsContact CG-N 3.3Å; D93-R101 WeakPolarHBondContact OD1-CB 3.25Å; D93-R101 PolarHBondContact OD1-N 3.08Å; D93-R101 PolarHBondContact OD2-N 3.2Å; D93-H102 IonicContact OD1-CD2 3.88Å; D93-H102 PolarHBondContact OD1-N 3.08Å; D93-H102 VanDerWaalsContact OD2-C 3.24Å; D93-H102 WeakPolarHBondContact OD2-CA 3.23Å; D93-H102 PolarHBondContact OD2-N 3.5Å | ||
| 94 | M | 80.1 | Confident | 85.4 | Confident | 103 Ų | 103 | 89.7 Ų | 89.7 | 51% | 0.507 | 45% | 0.445 | S | S | . | . | trans | -84.3 | -16.2 | 178.7 | -56 | -62 | -72.9 | 0 | 0 | 113.3 | V92 S211 L212 | V92-M94 HydrophobicContact CB-SD 4.32Å; V92-M94 HydrophobicContact CG1-SD 4.06Å; V92-M94 PolarHBondContact O-N 3.39Å; M94-S211 WeakPolarHBondContact CE-O 3.42Å; M94-L212 HydrophobicContact CE-CD2 3.73Å; M94-L212 HydrophobicContact SD-CD2 3.41Å; M94-L212 WeakPolarHBondContact SD-CD2 3.47Å | ||
| 95 | D | 75.7 | Confident | 85.3 | Confident | 81 Ų | 81 | 87.3 Ų | 87.3 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | trans | -107.4 | 115.6 | 179.2 | 176.2 | 24 | 0 | 0 | 0 | 110.7 | R97 S98 | D95-R97 VanDerWaalsContact C-N 3.31Å; D95-R97 VanDerWaalsContact OD1-CB 3.29Å; D95-R97 WeakPolarHBondContact OD1-CB 3.37Å; D95-R97 PolarHBondContact OD1-N 3.06Å; D95-S98 PolarHBondContact OD2-OG 3.26Å | ||
| 96 | H | 66.1 | Low | 85.2 | Confident | 112 Ų | 112 | 85.6 Ų | 85.6 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.4 | 178.5 | -53.3 | -64.9 | 0 | 0 | 0 | 113.8 | D214 | H96-D214 PolarHBondContact CE1-O 3.04Å; H96-D214 PolarHBondContact NE2-O 3.17Å |
| 97 | R | 65.3 | Low | 85.2 | Confident | 241 Ų | 241 | 85.5 Ų | 85.5 | 91% | 0.909 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.2 | -177.8 | -59.8 | -179 | 177.8 | 179.8 | 1 | 112.9 | D95 | D95-R97 VanDerWaalsContact C-N 3.31Å; D95-R97 VanDerWaalsContact OD1-CB 3.29Å; D95-R97 WeakPolarHBondContact OD1-CB 3.37Å; D95-R97 PolarHBondContact OD1-N 3.06Å |
| 98 | S | 69.3 | Low | 85.2 | Confident | 63 Ų | 63 | 86.1 Ų | 86.1 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -109.1 | 160.7 | -179.6 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | D95 | D95-S98 PolarHBondContact OD2-OG 3.26Š|
| 99 | H | 75.1 | Confident | 85.2 | Confident | 176 Ų | 176 | 82.1 Ų | 82.1 | 82% | 0.815 | 39% | 0.386 | S | S | * | . | trans | -61.8 | 128.2 | 177 | -80 | 68.1 | 0 | 0 | 0 | 109.3 | R101 | H99-R101 PolarHBondContact O-N 3.43Š| ||
| 100 | P | 77.9 | Confident | 85.3 | Confident | 62 Ų | 62 | 78 Ų | 78 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | trans | -62.8 | 125.1 | -175.8 | 2.8 | 0.1 | 0 | 0 | 0 | 110.5 | D93 P103 | D93-P100 VanDerWaalsContact OD2-CA 3.24Å; D93-P100 WeakPolarHBondContact OD2-CA 3.34Å; D93-P100 WeakPolarHBondContact OD2-CB 3.29Å; P100-P103 HydrophobicContact CB-CB 4.17Å | ||
| 101 | R | 81.3 | Confident | 85.4 | Confident | 210 Ų | 210 | 70.2 Ų | 70.2 | 79% | 0.792 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -84.6 | -28 | 177.1 | -62.5 | -179.2 | 178.6 | -179.2 | -0 | 111.3 | D93 H99 P103 | D93-R101 VanDerWaalsContact CG-N 3.3Å; D93-R101 WeakPolarHBondContact OD1-CB 3.25Å; D93-R101 PolarHBondContact OD1-N 3.08Å; D93-R101 PolarHBondContact OD2-N 3.2Å; H99-R101 PolarHBondContact O-N 3.43Å; R101-P103 VanDerWaalsContact C-CD 3.41Å; R101-P103 WeakPolarHBondContact O-CD 3.36Å |
| 102 | H | 85.2 | Confident | 85.5 | Confident | 71 Ų | 71 | 72 Ų | 72 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | trans | -127 | 62.1 | -179.8 | -56.2 | -68.8 | 0 | 0 | 0 | 110.7 | K90 L91 D93 H104 S105 | K90-H102 PolarHBondContact O-NE2 3.47Å; L91-H102 WeakPolarHBondContact O-CB 3.39Å; D93-H102 IonicContact OD1-CD2 3.88Å; D93-H102 PolarHBondContact OD1-N 3.08Å; D93-H102 VanDerWaalsContact OD2-C 3.24Å; D93-H102 WeakPolarHBondContact OD2-CA 3.23Å; D93-H102 PolarHBondContact OD2-N 3.5Å; H102-H104 PolarHBondContact O-N 3.05Å; H102-S105 PolarHBondContact O-N 2.87Å; H102-S105 VanDerWaalsContact O-N 3.15Å | ||
| 103 | P | 83.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.5 | -175 | 26.1 | -35.3 | 0 | 0 | 0 | 114 | P100 R101 R108 | P100-P103 HydrophobicContact CB-CB 4.17Å; R101-P103 VanDerWaalsContact C-CD 3.41Å; R101-P103 WeakPolarHBondContact O-CD 3.36Å; P103-R108 WeakPolarHBondContact O-CD 3.06Å |
| 104 | H | 88.4 | Confident | 86.3 | Confident | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 24.8 | -177.7 | -57.3 | -55.1 | 0 | 0 | 0 | 113.3 | I63 H102 | I63-H104 HydrophobicContact CD1-CB 4.4Å; I63-H104 HydrophobicContact CG2-CB 4.42Å; H102-H104 PolarHBondContact O-N 3.05Å |
| 105 | S | 95.2 | Very high | 87 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | trans | -58.5 | 149.1 | 172 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | E86 L91 H102 C107 R108 T109 | E86-S105 WeakPolarHBondContact OE2-CB 3.35Å; L91-S105 WeakPolarHBondContact O-CB 3.48Å; H102-S105 PolarHBondContact O-N 2.87Å; H102-S105 VanDerWaalsContact O-N 3.15Å; S105-C107 VanDerWaalsContact C-N 3.32Å; S105-C107 PolarHBondContact O-N 3.44Å; S105-R108 PolarHBondContact O-N 2.86Å; S105-R108 WeakPolarHBondContact OG-CB 3.06Å; S105-R108 PolarHBondContact OG-N 3.26Å; S105-T109 VanDerWaalsContact O-CB 3.26Å; S105-T109 WeakPolarHBondContact O-CB 3.27Å; S105-T109 PolarHBondContact O-N 3.35Å; S105-T109 PolarHBondContact O-OG1 3.32Å | ||
| 106 | G | 97.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M82 E86 R108 T109 V110 | M82-G106 VanDerWaalsContact SD-C 3.54Å; E86-G106 VanDerWaalsContact CD-N 3.31Å; E86-G106 WeakPolarHBondContact OE1-CA 3.29Å; E86-G106 PolarHBondContact OE1-N 3.11Å; E86-G106 PolarHBondContact OE2-N 3.41Å; G106-R108 PolarHBondContact O-N 3.48Å; G106-T109 PolarHBondContact O-N 3.06Å; G106-V110 WeakPolarHBondContact O-CB 3.35Å; G106-V110 PolarHBondContact O-N 3.48Å |
| 107 | C | 97.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57 | -50.5 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | E86 V92 S105 T109 L111 Y207 L212 | E86-C107 WeakPolarHBondContact OE2-CB 3.21Å; E86-C107 PolarHBondContact OE2-N 3.39Å; E86-C107 PolarHBondContact OE2-SG 3.44Å; V92-C107 HydrophobicContact CG1-CB 4.15Å; V92-C107 HydrophobicContact CG2-CB 3.78Å; S105-C107 VanDerWaalsContact C-N 3.32Å; S105-C107 PolarHBondContact O-N 3.44Å; C107-T109 VanDerWaalsContact C-N 3.29Å; C107-T109 PolarHBondContact O-N 3Å; C107-L111 WeakPolarHBondContact O-CB 3.31Å; C107-L111 PolarHBondContact O-N 3.24Å; C107-Y207 WeakPolarHBondContact CA-OH 3.41Å; C107-Y207 WeakPolarHBondContact O-CE1 3.43Å; C107-Y207 PolarHBondContact O-OH 3.22Å; C107-L212 HydrophobicContact CB-CD1 4.33Å |
| 108 | R | 94.9 | Very high | 90.6 | Very high | 69 Ų | 69 | 49 Ų | 49 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.4 | -29.5 | -179.1 | -163.4 | -152.6 | 158.6 | 94.4 | -6.7 | 111.7 | P103 S105 G106 R112 | P103-R108 WeakPolarHBondContact O-CD 3.06Å; S105-R108 PolarHBondContact O-N 2.86Å; S105-R108 WeakPolarHBondContact OG-CB 3.06Å; S105-R108 PolarHBondContact OG-N 3.26Å; G106-R108 PolarHBondContact O-N 3.48Å; R108-R112 VanDerWaalsContact CG-NH1 3.28Å; R108-R112 VanDerWaalsContact NE-NH1 3.14Å; R108-R112 PolarHBondContact O-NH1 2.97Å |
| 109 | T | 96.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.6 | -52.3 | 178.1 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | K60 I63 M64 S105 G106 C107 L111 R112 L113 | K60-T109 HydrophobicContact CB-CG2 3.68Å; K60-T109 HydrophobicContact CG-CG2 3.95Å; K60-T109 WeakPolarHBondContact O-CG2 3.49Å; I63-T109 HydrophobicContact CB-CG2 4.02Å; I63-T109 HydrophobicContact CD1-CG2 4.41Å; I63-T109 HydrophobicContact CG2-CG2 3.98Å; M64-T109 HydrophobicContact CG-CG2 3.89Å; M64-T109 HydrophobicContact SD-CG2 3.72Å; S105-T109 VanDerWaalsContact O-CB 3.26Å; S105-T109 WeakPolarHBondContact O-CB 3.27Å; S105-T109 PolarHBondContact O-N 3.35Å; S105-T109 PolarHBondContact O-OG1 3.32Å; G106-T109 PolarHBondContact O-N 3.06Å; C107-T109 VanDerWaalsContact C-N 3.29Å; C107-T109 PolarHBondContact O-N 3Å; T109-L111 VanDerWaalsContact C-N 3.3Å; T109-L111 PolarHBondContact O-N 2.96Å; T109-R112 PolarHBondContact O-N 3.24Å; T109-L113 PolarHBondContact O-N 2.91Å |
| 110 | V | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 176.7 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | L29 M64 L79 M82 G106 R112 L113 H114 Y207 | L29-V110 HydrophobicContact CD2-CG2 4.26Å; M64-V110 HydrophobicContact CE-CG2 3.66Å; M64-V110 HydrophobicContact CG-CG2 4.22Å; M64-V110 HydrophobicContact SD-CG2 3.72Å; L79-V110 HydrophobicContact CD1-CG1 4.3Å; L79-V110 HydrophobicContact CD2-CB 4.35Å; L79-V110 HydrophobicContact CD2-CG1 3.7Å; L79-V110 HydrophobicContact CD2-CG2 3.98Å; M82-V110 HydrophobicContact CE-CB 4.21Å; M82-V110 HydrophobicContact CE-CG2 4.06Å; M82-V110 HydrophobicContact SD-CG2 4.35Å; G106-V110 WeakPolarHBondContact O-CB 3.35Å; G106-V110 PolarHBondContact O-N 3.48Å; V110-R112 PolarHBondContact O-N 2.85Å; V110-R112 VanDerWaalsContact O-N 3.15Å; V110-L113 CarbonylContact O-C 3.56Å; V110-L113 WeakPolarHBondContact O-CA 3.4Å; V110-L113 WeakPolarHBondContact O-CB 3.24Å; V110-L113 PolarHBondContact O-N 3.3Å; V110-H114 VanDerWaalsContact O-CB 3.31Å; V110-H114 WeakPolarHBondContact O-CB 3.38Å; V110-H114 PolarHBondContact O-N 3.04Å; V110-Y207 WeakPolarHBondContact CB-OH 3.34Å; V110-Y207 HydrophobicContact CG1-CE2 4.18Å; V110-Y207 VanDerWaalsContact CG1-OH 3.29Å; V110-Y207 WeakPolarHBondContact CG1-OH 3.44Å |
| 111 | L | 96.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.7 | -39.3 | 176.1 | -179 | 59.5 | 0 | 0 | 0 | 112.7 | C107 T109 R115 Y207 L212 | C107-L111 WeakPolarHBondContact O-CB 3.31Å; C107-L111 PolarHBondContact O-N 3.24Å; T109-L111 VanDerWaalsContact C-N 3.3Å; T109-L111 PolarHBondContact O-N 2.96Å; L111-R115 VanDerWaalsContact O-CG 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.07Å; L111-R115 PolarHBondContact O-N 3.23Å; L111-Y207 HydrophobicContact CB-CD1 4.36Å; L111-Y207 HydrophobicContact CB-CE1 3.75Å; L111-Y207 HydrophobicContact CD1-CD1 3.82Å; L111-Y207 HydrophobicContact CD1-CE1 4.08Å; L111-Y207 HydrophobicContact CG-CE1 4.41Å; L111-Y207 PolarHBondContact N-OH 3.2Å; L111-L212 VanDerWaalsContact CD2-O 3.25Å; L111-L212 WeakPolarHBondContact CD2-O 3.17Å |
| 112 | R | 95.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 31% | 0.313 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -73.5 | -36.7 | 178.2 | -67.6 | 178.1 | 177.5 | 85.3 | 7.6 | 112.4 | K60 R108 T109 V110 A116 | K60-R112 HydrophobicContact CD-CB 3.71Å; R108-R112 VanDerWaalsContact CG-NH1 3.28Å; R108-R112 VanDerWaalsContact NE-NH1 3.14Å; R108-R112 PolarHBondContact O-NH1 2.97Å; T109-R112 PolarHBondContact O-N 3.24Å; V110-R112 PolarHBondContact O-N 2.85Å; V110-R112 VanDerWaalsContact O-N 3.15Å; R112-A116 WeakPolarHBondContact O-CB 3.49Å; R112-A116 PolarHBondContact O-N 3.33Å; R112-A116 VanDerWaalsContact O-N 3.12Å |
| 113 | L | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 171.3 | -65.6 | 175.1 | 0 | 0 | 0 | 109.7 | Y32 W36 V57 K60 L61 M64 T109 V110 R115 A116 L117 | Y32-L113 HydrophobicContact CE1-CB 4.21Å; Y32-L113 HydrophobicContact CE1-CD1 4.16Å; W36-L113 HydrophobicContact CD2-CD2 4.28Å; W36-L113 HydrophobicContact CZ2-CB 4.19Å; W36-L113 WeakPolarHBondContact CZ2-O 3.33Å; V57-L113 HydrophobicContact CG1-CD2 3.77Å; K60-L113 HydrophobicContact CB-CD1 4.24Å; K60-L113 HydrophobicContact CB-CD2 3.9Å; K60-L113 HydrophobicContact CB-CG 4.05Å; K60-L113 HydrophobicContact CD-CD2 4.14Å; K60-L113 HydrophobicContact CD-CG 4.23Å; L61-L113 HydrophobicContact CD2-CD1 3.86Å; L61-L113 HydrophobicContact CD2-CD2 4.29Å; M64-L113 HydrophobicContact CG-CD1 4.42Å; T109-L113 PolarHBondContact O-N 2.91Å; V110-L113 CarbonylContact O-C 3.56Å; V110-L113 WeakPolarHBondContact O-CA 3.4Å; V110-L113 WeakPolarHBondContact O-CB 3.24Å; V110-L113 PolarHBondContact O-N 3.3Å; L113-R115 PolarHBondContact O-N 2.97Å; L113-A116 CarbonylContact O-C 3.48Å; L113-A116 WeakPolarHBondContact O-CA 3.46Å; L113-A116 WeakPolarHBondContact O-CB 3.25Å; L113-A116 PolarHBondContact O-N 3.48Å; L113-L117 PolarHBondContact O-N 3.06Å |
| 114 | H | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -53.3 | -49.1 | 176.1 | 179.3 | 63.9 | 0 | 0 | 0 | 113.1 | V110 A116 L117 H118 Y200 Q204 | V110-H114 VanDerWaalsContact O-CB 3.31Å; V110-H114 WeakPolarHBondContact O-CB 3.38Å; V110-H114 PolarHBondContact O-N 3.04Å; H114-A116 VanDerWaalsContact C-N 3.29Å; H114-A116 PolarHBondContact O-N 3.46Å; H114-L117 WeakPolarHBondContact O-CB 3.17Å; H114-L117 PolarHBondContact O-N 3.32Å; H114-L117 VanDerWaalsContact O-N 3.11Å; H114-H118 PolarHBondContact O-N 2.94Å; H114-Y200 AromaticContact CE1-CD2 3.06Å; H114-Y200 WeakPolarHBondContact CE1-CD2 3.41Å; H114-Y200 AromaticContact CE1-CE2 3.06Å; H114-Y200 WeakPolarHBondContact CE1-CE2 3.29Å; H114-Y200 AromaticContact CE1-CG 3.76Å; H114-Y200 AromaticContact CE1-CZ 3.83Å; H114-Y200 PolarHBondContact CE1-O 3.23Å; H114-Y200 VanDerWaalsContact CE1-O 3.26Å; H114-Y200 AromaticContact ND1-CD2 3.49Å; H114-Y200 WeakPolarHBondContact ND1-CD2 3.3Å; H114-Y200 AromaticContact ND1-CE2 3.71Å; H114-Y200 AromaticContact NE2-CD2 3.8Å; H114-Y200 AromaticContact NE2-CE2 3.27Å; H114-Y200 VanDerWaalsContact NE2-CE2 3.27Å; H114-Y200 WeakPolarHBondContact NE2-CE2 3.23Å; H114-Y200 AromaticContact NE2-CZ 3.79Å; H114-Q204 PolarHBondContact NE2-OE1 3.2Å |
| 115 | R | 95.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 11% | 0.106 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 174.3 | -71.6 | 168.1 | 177.8 | 172.7 | 1.9 | 112.3 | L111 L113 L148 Y151 L213 D214 | L111-R115 VanDerWaalsContact O-CG 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.07Å; L111-R115 PolarHBondContact O-N 3.23Å; L113-R115 PolarHBondContact O-N 2.97Å; R115-L148 HydrophobicContact CB-CD2 4.03Å; R115-Y151 HydrophobicContact CB-CD2 4.35Å; R115-Y151 HydrophobicContact CB-CE2 4.3Å; R115-Y151 HydrophobicContact CG-CD2 4.09Å; R115-Y151 HydrophobicContact CG-CE2 3.76Å; R115-Y151 VanDerWaalsContact NE-CE1 3.29Å; R115-L213 PolarHBondContact NH2-O 2.98Å; R115-D214 PolarHBondContact NH2-OXT 3.26Å |
| 116 | A | 93.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 10% | 0.099 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.9 | -29.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W36 R112 L113 H114 H118 W119 L120 L148 | W36-A116 HydrophobicContact CH2-CB 3.7Å; W36-A116 HydrophobicContact CZ2-CB 4.33Å; R112-A116 WeakPolarHBondContact O-CB 3.49Å; R112-A116 PolarHBondContact O-N 3.33Å; R112-A116 VanDerWaalsContact O-N 3.12Å; L113-A116 CarbonylContact O-C 3.48Å; L113-A116 WeakPolarHBondContact O-CA 3.46Å; L113-A116 WeakPolarHBondContact O-CB 3.25Å; L113-A116 PolarHBondContact O-N 3.48Å; H114-A116 VanDerWaalsContact C-N 3.29Å; H114-A116 PolarHBondContact O-N 3.46Å; A116-H118 VanDerWaalsContact C-N 3.32Å; A116-W119 PolarHBondContact O-N 3.43Å; A116-L120 PolarHBondContact O-N 3.45Å; A116-L120 VanDerWaalsContact O-N 3.07Å; A116-L148 HydrophobicContact CB-CD1 4.32Å; A116-L148 HydrophobicContact CB-CD2 4.4Å |
| 117 | L | 93.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 175.6 | -161.9 | 59.2 | 0 | 0 | 0 | 110.7 | F17 Y32 W36 L39 L113 H114 L120 Q121 I196 V199 | F17-L117 HydrophobicContact CE1-CD1 4Å; F17-L117 HydrophobicContact CE1-CD2 4.1Å; F17-L117 HydrophobicContact CZ-CD1 3.78Å; Y32-L117 HydrophobicContact CE2-CD2 4.21Å; W36-L117 HydrophobicContact CH2-CB 4.49Å; W36-L117 HydrophobicContact CH2-CD1 4.42Å; W36-L117 HydrophobicContact CZ2-CB 3.77Å; W36-L117 HydrophobicContact CZ2-CD1 3.82Å; W36-L117 HydrophobicContact CZ2-CG 4.36Å; L39-L117 HydrophobicContact CD1-CD1 4.3Å; L113-L117 PolarHBondContact O-N 3.06Å; H114-L117 WeakPolarHBondContact O-CB 3.17Å; H114-L117 PolarHBondContact O-N 3.32Å; H114-L117 VanDerWaalsContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 3.45Å; L117-Q121 WeakPolarHBondContact O-CB 3.48Å; L117-Q121 PolarHBondContact O-N 3.3Å; L117-I196 HydrophobicContact CD1-CG2 3.78Å; L117-I196 HydrophobicContact CD2-CG2 4.11Å; L117-I196 HydrophobicContact CG-CG2 3.73Å; L117-V199 HydrophobicContact CD2-CG1 4.43Å |
| 118 | H | 94.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 25.1 Ų | 25.1 | 26% | 0.255 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61 | -46.8 | 177.2 | -168.5 | -167.8 | 0 | 0 | 0 | 112.2 | H114 A116 L120 Q121 L122 T147 Y200 | H114-H118 PolarHBondContact O-N 2.94Å; A116-H118 VanDerWaalsContact C-N 3.32Å; H118-L120 VanDerWaalsContact C-N 3.29Å; H118-L120 PolarHBondContact O-N 2.92Å; H118-Q121 PolarHBondContact O-N 3.05Å; H118-L122 PolarHBondContact O-N 3.42Å; H118-T147 HydrophobicContact CB-CG2 4.44Å; H118-Y200 HydrophobicContact CB-CD2 4.08Å; H118-Y200 HydrophobicContact CB-CE2 3.48Å; H118-Y200 VanDerWaalsContact CB-CE2 3.48Å; H118-Y200 AromaticContact CG-CE2 3.88Å; H118-Y200 AromaticContact CG-CZ 3.74Å; H118-Y200 AromaticContact ND1-CZ 3.84Å; H118-Y200 PolarHBondContact ND1-OH 3.19Å |
| 119 | W | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 26 Ų | 26 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 174.7 | 164 | 67.7 | 0 | 0 | 0 | 111.5 | A116 L122 F123 C140 T147 L148 F164 | A116-W119 PolarHBondContact O-N 3.43Å; W119-L122 PolarHBondContact O-N 3.25Å; W119-F123 WeakPolarHBondContact O-CB 3.35Å; W119-F123 PolarHBondContact O-N 3.47Å; W119-C140 VanDerWaalsContact CZ2-SG 3.53Å; W119-T147 WeakPolarHBondContact CA-OG1 3.43Å; W119-T147 VanDerWaalsContact CB-OG1 3.29Å; W119-T147 WeakPolarHBondContact CB-OG1 3.29Å; W119-L148 HydrophobicContact CB-CD1 3.62Å; W119-L148 HydrophobicContact CB-CG 3.8Å; W119-L148 HydrophobicContact CD2-CD1 4.01Å; W119-L148 HydrophobicContact CE3-CD1 4.26Å; W119-L148 HydrophobicContact CG-CD1 3.73Å; W119-L148 HydrophobicContact CG-CG 4.32Å; W119-F164 HydrophobicContact CZ2-CE1 4.28Å; W119-F164 HydrophobicContact CZ2-CZ 4.43Å |
| 120 | L | 90.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | -178.8 | -178.4 | 63.9 | 0 | 0 | 0 | 111.6 | L39 A116 L117 H118 F123 L124 | L39-L120 HydrophobicContact CB-CD2 4.34Å; L39-L120 HydrophobicContact CD1-CD2 3.34Å; L39-L120 HydrophobicContact CD2-CD2 3.49Å; L39-L120 VanDerWaalsContact CD2-CD2 3.49Å; L39-L120 HydrophobicContact CG-CD2 3.88Å; A116-L120 PolarHBondContact O-N 3.45Å; A116-L120 VanDerWaalsContact O-N 3.07Å; L117-L120 PolarHBondContact O-N 3.45Å; H118-L120 VanDerWaalsContact C-N 3.29Å; H118-L120 PolarHBondContact O-N 2.92Å; L120-F123 HydrophobicContact CD1-CD1 4.36Å; L120-F123 PolarHBondContact O-N 3.45Å; L120-L124 HydrophobicContact CD1-CD1 3.94Å; L120-L124 HydrophobicContact CD1-CD2 4.5Å; L120-L124 HydrophobicContact CD1-CG 3.94Å; L120-L124 HydrophobicContact CG-CD1 3.87Å; L120-L124 HydrophobicContact CG-CG 4.25Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 2.93Å |
| 121 | Q | 91.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -52.6 | 174.9 | 179.2 | -171.7 | -14.7 | 0 | 0 | 110.9 | L117 H118 F123 L124 D125 L193 I196 | L117-Q121 WeakPolarHBondContact O-CB 3.48Å; L117-Q121 PolarHBondContact O-N 3.3Å; H118-Q121 PolarHBondContact O-N 3.05Å; Q121-F123 VanDerWaalsContact C-N 3.32Å; Q121-F123 PolarHBondContact O-N 3.27Å; Q121-L124 PolarHBondContact O-N 3.21Å; Q121-D125 WeakPolarHBondContact O-CB 3.32Å; Q121-D125 PolarHBondContact O-N 2.65Å; Q121-L193 HydrophobicContact CG-CD2 4.12Å; Q121-I196 HydrophobicContact CB-CG2 4.39Å |
| 122 | L | 94.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 179.7 | -66.9 | -169.6 | 0 | 0 | 0 | 112.4 | H118 W119 G126 A143 A146 T147 | H118-L122 PolarHBondContact O-N 3.42Å; W119-L122 PolarHBondContact O-N 3.25Å; L122-G126 PolarHBondContact O-N 3.14Å; L122-A143 HydrophobicContact CB-CB 3.92Å; L122-A146 HydrophobicContact CD1-CB 4.15Å; L122-T147 HydrophobicContact CD1-CG2 3.39Å; L122-T147 HydrophobicContact CG-CG2 4.26Å |
| 123 | F | 92.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -46.7 | 178.5 | 167.5 | -123.8 | 0 | 0 | 0 | 111.9 | W119 L120 Q121 G126 L127 T136 L139 C140 A143 F173 | W119-F123 WeakPolarHBondContact O-CB 3.35Å; W119-F123 PolarHBondContact O-N 3.47Å; L120-F123 HydrophobicContact CD1-CD1 4.36Å; L120-F123 PolarHBondContact O-N 3.45Å; Q121-F123 VanDerWaalsContact C-N 3.32Å; Q121-F123 PolarHBondContact O-N 3.27Å; F123-G126 PolarHBondContact O-N 3.19Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 3.46Å; F123-T136 HydrophobicContact CE2-CG2 3.77Å; F123-T136 HydrophobicContact CZ-CG2 3.69Å; F123-L139 HydrophobicContact CD2-CB 4.27Å; F123-L139 HydrophobicContact CE2-CB 4.33Å; F123-C140 HydrophobicContact CD2-CB 3.84Å; F123-C140 HydrophobicContact CE2-CB 3.79Å; F123-C140 HydrophobicContact CZ-CB 4.45Å; F123-A143 HydrophobicContact CB-CB 3.79Å; F123-F173 AromaticContact CE1-CE1 3.91Å; F123-F173 HydrophobicContact CE1-CE1 3.91Å; F123-F173 AromaticContact CE1-CE2 3.85Å; F123-F173 HydrophobicContact CE1-CE2 3.85Å; F123-F173 AromaticContact CE1-CZ 3.33Å; F123-F173 HydrophobicContact CE1-CZ 3.33Å; F123-F173 HydrophobicContact CZ-CD2 4.3Å; F123-F173 AromaticContact CZ-CE1 3.92Å; F123-F173 HydrophobicContact CZ-CE1 3.92Å; F123-F173 AromaticContact CZ-CE2 3.63Å; F123-F173 HydrophobicContact CZ-CE2 3.63Å; F123-F173 AromaticContact CZ-CZ 3.48Å; F123-F173 HydrophobicContact CZ-CZ 3.48Å; F123-F173 VanDerWaalsContact CZ-CZ 3.48Å |
| 124 | L | 90.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 179.1 | -72.2 | 179.5 | 0 | 0 | 0 | 112.1 | L120 Q121 L127 R128 F173 M177 L189 L193 | L120-L124 HydrophobicContact CD1-CD1 3.94Å; L120-L124 HydrophobicContact CD1-CD2 4.5Å; L120-L124 HydrophobicContact CD1-CG 3.94Å; L120-L124 HydrophobicContact CG-CD1 3.87Å; L120-L124 HydrophobicContact CG-CG 4.25Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 2.93Å; Q121-L124 PolarHBondContact O-N 3.21Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-R128 WeakPolarHBondContact O-CB 2.89Å; L124-R128 PolarHBondContact O-N 2.85Å; L124-F173 HydrophobicContact CD2-CE1 4.5Å; L124-M177 HydrophobicContact CD2-CE 4Å; L124-L189 HydrophobicContact CB-CD2 4.24Å; L124-L189 HydrophobicContact CD1-CD2 4.17Å; L124-L189 HydrophobicContact CD2-CD2 4.02Å; L124-L189 HydrophobicContact CG-CD2 4.37Å; L124-L193 HydrophobicContact CB-CD2 3.91Å; L124-L193 HydrophobicContact CD1-CD2 4.49Å |
| 125 | D | 93.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 173.5 | -167.5 | 52.5 | 0 | 0 | 0 | 111.3 | Q121 L127 R128 T129 L193 | Q121-D125 WeakPolarHBondContact O-CB 3.32Å; Q121-D125 PolarHBondContact O-N 2.65Å; D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.06Å; D125-R128 WeakPolarHBondContact O-CB 3.35Å; D125-R128 PolarHBondContact O-N 3.18Å; D125-R128 VanDerWaalsContact O-N 3.09Å; D125-R128 IonicContact OD1-CZ 3.31Å; D125-R128 VanDerWaalsContact OD1-CZ 3.31Å; D125-R128 IonicContact OD1-NE 3.04Å; D125-R128 PolarHBondContact OD1-NE 3.42Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 3.38Å; D125-T129 PolarHBondContact O-N 2.87Å; D125-T129 PolarHBondContact O-OG1 2.97Å; D125-T129 VanDerWaalsContact O-OG1 3.13Å; D125-L193 HydrophobicContact CB-CD1 3.91Å |
| 126 | G | 94.9 | Very high | 93 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -36.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L122 F123 S130 | L122-G126 PolarHBondContact O-N 3.14Å; F123-G126 PolarHBondContact O-N 3.19Å; G126-S130 WeakPolarHBondContact O-CB 3.49Å; G126-S130 PolarHBondContact O-N 2.69Å; G126-S130 PolarHBondContact O-OG 3.21Å |
| 127 | L | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.8 | -167.4 | 78.7 | 0 | 0 | 0 | 111.7 | F123 L124 D125 S130 T136 L139 R170 F173 L174 M177 L189 | F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 PolarHBondContact O-N 3.46Å; L124-L127 WeakPolarHBondContact O-CB 3.38Å; L124-L127 PolarHBondContact O-N 3.26Å; D125-L127 VanDerWaalsContact C-N 3.28Å; D125-L127 PolarHBondContact O-N 3.06Å; L127-S130 PolarHBondContact O-OG 3.38Å; L127-T136 HydrophobicContact CD1-CG2 4.3Å; L127-L139 HydrophobicContact CD1-CD1 4.23Å; L127-R170 HydrophobicContact CD1-CB 4.43Å; L127-R170 HydrophobicContact CD1-CG 3.85Å; L127-R170 PolarHBondContact O-NE 3.39Å; L127-R170 VanDerWaalsContact O-NE 3.11Å; L127-R170 PolarHBondContact O-NH2 3.07Å; L127-R170 VanDerWaalsContact O-NH2 3.11Å; L127-F173 HydrophobicContact CD1-CD1 4.27Å; L127-F173 HydrophobicContact CD2-CD1 3.36Å; L127-F173 HydrophobicContact CD2-CE1 3.67Å; L127-F173 HydrophobicContact CD2-CG 4.36Å; L127-F173 HydrophobicContact CG-CD1 4.47Å; L127-L174 HydrophobicContact CD2-CD2 3.56Å; L127-L174 HydrophobicContact CD2-CG 4.09Å; L127-L174 HydrophobicContact CG-CD2 4.07Å; L127-L174 HydrophobicContact CG-CG 4.37Å; L127-M177 HydrophobicContact CD2-CE 3.69Å; L127-L189 HydrophobicContact CD2-CD1 4.36Å |
| 128 | R | 93 | Very high | 93 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 179.1 | -173.2 | -171.5 | 65 | 81 | -1.3 | 112.1 | L124 D125 V186 L189 | L124-R128 WeakPolarHBondContact O-CB 2.89Å; L124-R128 PolarHBondContact O-N 2.85Å; D125-R128 WeakPolarHBondContact O-CB 3.35Å; D125-R128 PolarHBondContact O-N 3.18Å; D125-R128 VanDerWaalsContact O-N 3.09Å; D125-R128 IonicContact OD1-CZ 3.31Å; D125-R128 VanDerWaalsContact OD1-CZ 3.31Å; D125-R128 IonicContact OD1-NE 3.04Å; D125-R128 PolarHBondContact OD1-NE 3.42Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 3.38Å; R128-V186 HydrophobicContact CG-CG1 3.71Å; R128-V186 WeakPolarHBondContact CG-O 3.38Å; R128-L189 HydrophobicContact CB-CB 4.34Å; R128-L189 HydrophobicContact CB-CD1 4.26Å; R128-L189 HydrophobicContact CG-CB 4.2Å |
| 129 | T | 94.6 | Very high | 93 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -95.9 | -6.8 | -173.3 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | D125 | D125-T129 PolarHBondContact O-N 2.87Å; D125-T129 PolarHBondContact O-OG1 2.97Å; D125-T129 VanDerWaalsContact O-OG1 3.13Å |
| 130 | S | 95.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -76.4 | 157.4 | -179.5 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | G126 L127 L139 R170 | G126-S130 WeakPolarHBondContact O-CB 3.49Å; G126-S130 PolarHBondContact O-N 2.69Å; G126-S130 PolarHBondContact O-OG 3.21Å; L127-S130 PolarHBondContact O-OG 3.38Å; S130-L139 WeakPolarHBondContact OG-CD1 3.39Å; S130-R170 PolarHBondContact O-NH2 3Å; S130-R170 WeakPolarHBondContact OG-CD 3.39Å; S130-R170 PolarHBondContact OG-NE 3.29Å |
| 131 | S | 93.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | trans | -65.8 | 160 | 171.1 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | D133 A134 R170 | S131-D133 WeakPolarHBondContact CB-OD1 3.35Å; S131-D133 PolarHBondContact O-N 2.91Å; S131-D133 PolarHBondContact OG-OD1 3Å; S131-A134 VanDerWaalsContact O-CB 3.22Å; S131-A134 WeakPolarHBondContact O-CB 3.4Å; S131-A134 PolarHBondContact O-N 2.99Å; S131-A134 VanDerWaalsContact O-N 3.1Å; S131-R170 WeakPolarHBondContact O-CD 3.49Å; S131-R170 PolarHBondContact O-NE 2.73Å | ||
| 132 | E | 89.4 | Confident | 93.3 | Very high | 164 Ų | 164 | 56.4 Ų | 56.4 | 77% | 0.766 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.9 | -178.3 | -66.2 | -177.5 | -178.2 | 0 | 0 | 113.8 | A134 | E132-A134 VanDerWaalsContact C-N 3.34Š|
| 133 | D | 90.8 | Very high | 93.3 | Very high | 135 Ų | 135 | 53.8 Ų | 53.8 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.8 | -180 | 67.1 | -40 | 0 | 0 | 0 | 113.8 | S131 | S131-D133 WeakPolarHBondContact CB-OD1 3.35Å; S131-D133 PolarHBondContact O-N 2.91Å; S131-D133 PolarHBondContact OG-OD1 3Å |
| 134 | A | 94.4 | Very high | 93.4 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | trans | -62 | 142.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S131 E132 L139 R170 | S131-A134 VanDerWaalsContact O-CB 3.22Å; S131-A134 WeakPolarHBondContact O-CB 3.4Å; S131-A134 PolarHBondContact O-N 2.99Å; S131-A134 VanDerWaalsContact O-N 3.1Å; E132-A134 VanDerWaalsContact C-N 3.34Å; A134-L139 HydrophobicContact CB-CD1 4.27Å; A134-R170 WeakPolarHBondContact O-CB 3.42Å | ||
| 135 | R | 94.3 | Very high | 93.7 | Very high | 186 Ų | 186 | 57.8 Ų | 57.8 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | trans | -88.1 | 119.5 | 177.9 | -65.2 | -177.9 | -177.5 | 170.7 | 1.1 | 109.8 | S137 T138 L139 | R135-S137 PolarHBondContact O-N 3.41Å; R135-S137 VanDerWaalsContact O-N 3.16Å; R135-T138 WeakPolarHBondContact O-CB 3.42Å; R135-T138 PolarHBondContact O-N 3.4Å; R135-L139 PolarHBondContact O-N 2.74Å | ||
| 136 | T | 92.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.7 | -36.4 | 175.1 | -40.2 | 0 | 0 | 0 | 0 | 112.2 | F123 L127 T138 L139 C140 L167 P168 R170 F173 | F123-T136 HydrophobicContact CE2-CG2 3.77Å; F123-T136 HydrophobicContact CZ-CG2 3.69Å; L127-T136 HydrophobicContact CD1-CG2 4.3Å; T136-T138 PolarHBondContact O-N 2.96Å; T136-L139 PolarHBondContact O-N 3.15Å; T136-C140 WeakPolarHBondContact O-CB 3.43Å; T136-C140 PolarHBondContact O-N 3.01Å; T136-L167 HydrophobicContact CG2-CB 4.28Å; T136-L167 HydrophobicContact CG2-CD1 4.28Å; T136-L167 HydrophobicContact CG2-CD2 3.83Å; T136-L167 HydrophobicContact CG2-CG 4.37Å; T136-P168 VanDerWaalsContact CB-O 3.22Å; T136-P168 WeakPolarHBondContact CB-O 3.2Å; T136-P168 PolarHBondContact OG1-O 3.46Å; T136-R170 WeakPolarHBondContact OG1-CA 3.45Å; T136-R170 PolarHBondContact OG1-N 3.07Å; T136-F173 HydrophobicContact CG2-CB 4.36Å; T136-F173 HydrophobicContact CG2-CD2 3.65Å; T136-F173 HydrophobicContact CG2-CE2 4.16Å; T136-F173 HydrophobicContact CG2-CG 4.06Å |
| 137 | S | 92.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.7 | 56 | 0 | 0 | 0 | 0 | 113.2 | R135 S141 F164 | R135-S137 PolarHBondContact O-N 3.41Å; R135-S137 VanDerWaalsContact O-N 3.16Å; S137-S141 VanDerWaalsContact O-CB 3.23Å; S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 3.12Å; S137-F164 WeakPolarHBondContact CB-O 3.31Å |
| 138 | T | 94.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -52.6 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | R135 T136 C140 S141 E142 | R135-T138 WeakPolarHBondContact O-CB 3.42Å; R135-T138 PolarHBondContact O-N 3.4Å; T136-T138 PolarHBondContact O-N 2.96Å; T138-C140 VanDerWaalsContact C-N 3.28Å; T138-C140 PolarHBondContact O-N 3.38Å; T138-S141 PolarHBondContact O-N 2.73Å; T138-S141 VanDerWaalsContact O-N 3.14Å; T138-E142 HydrophobicContact CG2-CG 4.4Å; T138-E142 WeakPolarHBondContact CG2-OE1 3.45Å; T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 2.98Å |
| 139 | L | 95 | Very high | 93.9 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 179.7 | -61.1 | 172.7 | 0 | 0 | 0 | 111.8 | F123 L127 S130 A134 R135 T136 A143 | F123-L139 HydrophobicContact CD2-CB 4.27Å; F123-L139 HydrophobicContact CE2-CB 4.33Å; L127-L139 HydrophobicContact CD1-CD1 4.23Å; S130-L139 WeakPolarHBondContact OG-CD1 3.39Å; A134-L139 HydrophobicContact CB-CD1 4.27Å; R135-L139 PolarHBondContact O-N 2.74Å; T136-L139 PolarHBondContact O-N 3.15Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.23Å |
| 140 | C | 91.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -39.8 | 179.9 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | W119 F123 T136 T138 Y144 F164 L167 | W119-C140 VanDerWaalsContact CZ2-SG 3.53Å; F123-C140 HydrophobicContact CD2-CB 3.84Å; F123-C140 HydrophobicContact CE2-CB 3.79Å; F123-C140 HydrophobicContact CZ-CB 4.45Å; T136-C140 WeakPolarHBondContact O-CB 3.43Å; T136-C140 PolarHBondContact O-N 3.01Å; T138-C140 VanDerWaalsContact C-N 3.28Å; T138-C140 PolarHBondContact O-N 3.38Å; C140-Y144 VanDerWaalsContact O-CB 3.25Å; C140-Y144 WeakPolarHBondContact O-CB 3.43Å; C140-Y144 PolarHBondContact O-N 3.1Å; C140-F164 HydrophobicContact CB-CD1 4.36Å; C140-F164 HydrophobicContact CB-CG 4.43Å; C140-F164 WeakPolarHBondContact SG-CD1 3.4Å; C140-F164 WeakPolarHBondContact SG-CE1 3.09Å; C140-L167 HydrophobicContact CB-CD1 3.4Å |
| 141 | S | 93.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.203 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 176.2 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | S137 T138 Y144 N145 | S137-S141 VanDerWaalsContact O-CB 3.23Å; S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 3.12Å; T138-S141 PolarHBondContact O-N 2.73Å; T138-S141 VanDerWaalsContact O-N 3.14Å; S141-Y144 PolarHBondContact O-N 3.01Å; S141-N145 WeakPolarHBondContact O-CB 3.42Å; S141-N145 VanDerWaalsContact O-CG 3.27Å; S141-N145 PolarHBondContact O-N 3.04Å; S141-N145 PolarHBondContact O-ND2 2.71Å; S141-N145 PolarHBondContact OG-ND2 3.08Å |
| 142 | E | 95.8 | Very high | 93.7 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.2 | -50.4 | 176.7 | -73.2 | 172.5 | 172.8 | 0 | 0 | 111.2 | T138 Y144 N145 A146 | T138-E142 HydrophobicContact CG2-CG 4.4Å; T138-E142 WeakPolarHBondContact CG2-OE1 3.45Å; T138-E142 WeakPolarHBondContact O-CG 3.29Å; T138-E142 PolarHBondContact O-N 2.98Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.41Å; E142-N145 PolarHBondContact O-N 3.43Å; E142-A146 WeakPolarHBondContact O-CB 3.31Å; E142-A146 PolarHBondContact O-N 3.03Å |
| 143 | A | 95.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L122 F123 L139 A146 T147 | L122-A143 HydrophobicContact CB-CB 3.92Å; F123-A143 HydrophobicContact CB-CB 3.79Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.23Å; A143-A146 PolarHBondContact O-N 3.49Å; A143-T147 PolarHBondContact O-N 3.09Å; A143-T147 PolarHBondContact O-OG1 3.43Å |
| 144 | Y | 94.6 | Very high | 94 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 179.1 | 175.4 | -98 | 0 | 0 | 0 | 112.4 | C140 S141 E142 A146 T147 L148 A149 H152 R157 V160 F164 | C140-Y144 VanDerWaalsContact O-CB 3.25Å; C140-Y144 WeakPolarHBondContact O-CB 3.43Å; C140-Y144 PolarHBondContact O-N 3.1Å; S141-Y144 PolarHBondContact O-N 3.01Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.41Å; Y144-A146 VanDerWaalsContact C-N 3.29Å; Y144-A146 PolarHBondContact O-N 3.03Å; Y144-T147 CarbonylContact O-C 3.48Å; Y144-T147 PolarHBondContact O-N 3.47Å; Y144-T147 VanDerWaalsContact O-N 3.13Å; Y144-L148 HydrophobicContact CD2-CB 3.7Å; Y144-L148 HydrophobicContact CD2-CD1 4.35Å; Y144-L148 HydrophobicContact CE2-CB 3.7Å; Y144-L148 PolarHBondContact O-N 2.91Å; Y144-L148 VanDerWaalsContact O-N 3.16Å; Y144-A149 HydrophobicContact CD1-CB 3.95Å; Y144-A149 HydrophobicContact CE1-CB 3.71Å; Y144-A149 WeakPolarHBondContact O-CB 3.42Å; Y144-A149 PolarHBondContact O-N 3.39Å; Y144-H152 AromaticContact CE2-CE1 3.89Å; Y144-H152 AromaticContact CE2-ND1 3.38Å; Y144-H152 WeakPolarHBondContact CE2-ND1 3.34Å; Y144-H152 AromaticContact CZ-ND1 3.49Å; Y144-H152 PolarHBondContact OH-ND1 2.96Å; Y144-R157 HydrophobicContact CE1-CB 4.36Å; Y144-R157 HydrophobicContact CE1-CG 4.08Å; Y144-R157 WeakPolarHBondContact OH-CA 3.44Å; Y144-R157 WeakPolarHBondContact OH-CG 3.47Å; Y144-V160 HydrophobicContact CD1-CG1 4.41Å; Y144-V160 HydrophobicContact CD2-CG1 3.89Å; Y144-V160 HydrophobicContact CE1-CG1 4.2Å; Y144-V160 HydrophobicContact CE2-CB 4.24Å; Y144-V160 HydrophobicContact CE2-CG1 3.63Å; Y144-V160 HydrophobicContact CE2-CG2 4.34Å; Y144-V160 HydrophobicContact CG-CG1 4.26Å; Y144-F164 HydrophobicContact CD1-CE2 4.16Å; Y144-F164 HydrophobicContact CD2-CE2 4.39Å; Y144-F164 HydrophobicContact CD2-CZ 4.06Å; Y144-F164 AromaticContact CG-CE2 3.81Å; Y144-F164 HydrophobicContact CG-CE2 3.81Å; Y144-F164 AromaticContact CG-CZ 3.91Å; Y144-F164 HydrophobicContact CG-CZ 3.91Å |
| 145 | N | 95.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -33.6 | 179.9 | -73.5 | -36.3 | 0 | 0 | 0 | 112 | S141 E142 T147 | S141-N145 WeakPolarHBondContact O-CB 3.42Å; S141-N145 VanDerWaalsContact O-CG 3.27Å; S141-N145 PolarHBondContact O-N 3.04Å; S141-N145 PolarHBondContact O-ND2 2.71Å; S141-N145 PolarHBondContact OG-ND2 3.08Å; E142-N145 PolarHBondContact O-N 3.43Å; N145-T147 VanDerWaalsContact C-N 3.27Å; N145-T147 PolarHBondContact O-N 3.36Å |
| 146 | A | 96.6 | Very high | 93.7 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.5 | -20.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L122 E142 A143 Y144 | L122-A146 HydrophobicContact CD1-CB 4.15Å; E142-A146 WeakPolarHBondContact O-CB 3.31Å; E142-A146 PolarHBondContact O-N 3.03Å; A143-A146 PolarHBondContact O-N 3.49Å; Y144-A146 VanDerWaalsContact C-N 3.29Å; Y144-A146 PolarHBondContact O-N 3.03Å |
| 147 | T | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -91.3 | -168.4 | 58.3 | 0 | 0 | 0 | 0 | 113 | H118 W119 L122 A143 Y144 N145 A149 N150 | H118-T147 HydrophobicContact CB-CG2 4.44Å; W119-T147 WeakPolarHBondContact CA-OG1 3.43Å; W119-T147 VanDerWaalsContact CB-OG1 3.29Å; W119-T147 WeakPolarHBondContact CB-OG1 3.29Å; L122-T147 HydrophobicContact CD1-CG2 3.39Å; L122-T147 HydrophobicContact CG-CG2 4.26Å; A143-T147 PolarHBondContact O-N 3.09Å; A143-T147 PolarHBondContact O-OG1 3.43Å; Y144-T147 CarbonylContact O-C 3.48Å; Y144-T147 PolarHBondContact O-N 3.47Å; Y144-T147 VanDerWaalsContact O-N 3.13Å; N145-T147 VanDerWaalsContact C-N 3.27Å; N145-T147 PolarHBondContact O-N 3.36Å; T147-A149 VanDerWaalsContact C-N 3.25Å; T147-A149 PolarHBondContact O-N 3.37Å; T147-N150 WeakPolarHBondContact O-CB 3.21Å; T147-N150 PolarHBondContact O-N 3.46Å; T147-N150 PolarHBondContact O-ND2 3.34Å |
| 148 | L | 93.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.2 | -171.1 | -84.2 | 175 | 0 | 0 | 0 | 113.6 | R115 A116 W119 Y144 N150 Y151 H152 | R115-L148 HydrophobicContact CB-CD2 4.03Å; A116-L148 HydrophobicContact CB-CD1 4.32Å; A116-L148 HydrophobicContact CB-CD2 4.4Å; W119-L148 HydrophobicContact CB-CD1 3.62Å; W119-L148 HydrophobicContact CB-CG 3.8Å; W119-L148 HydrophobicContact CD2-CD1 4.01Å; W119-L148 HydrophobicContact CE3-CD1 4.26Å; W119-L148 HydrophobicContact CG-CD1 3.73Å; W119-L148 HydrophobicContact CG-CG 4.32Å; Y144-L148 HydrophobicContact CD2-CB 3.7Å; Y144-L148 HydrophobicContact CD2-CD1 4.35Å; Y144-L148 HydrophobicContact CE2-CB 3.7Å; Y144-L148 PolarHBondContact O-N 2.91Å; Y144-L148 VanDerWaalsContact O-N 3.16Å; L148-N150 PolarHBondContact O-N 3.05Å; L148-N150 VanDerWaalsContact O-N 3.14Å; L148-Y151 PolarHBondContact O-N 3.3Å; L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 PolarHBondContact O-ND1 3.04Å |
| 149 | A | 94 | Very high | 93.5 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y144 T147 Y151 H152 R157 | Y144-A149 HydrophobicContact CD1-CB 3.95Å; Y144-A149 HydrophobicContact CE1-CB 3.71Å; Y144-A149 WeakPolarHBondContact O-CB 3.42Å; Y144-A149 PolarHBondContact O-N 3.39Å; T147-A149 VanDerWaalsContact C-N 3.25Å; T147-A149 PolarHBondContact O-N 3.37Å; A149-Y151 PolarHBondContact O-N 3.42Å; A149-H152 PolarHBondContact O-N 3.24Å; A149-R157 HydrophobicContact CB-CG 4.46Å |
| 150 | N | 94 | Very high | 93.1 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.6 | 177.5 | -62.5 | -47.3 | 0 | 0 | 0 | 113.1 | T147 L148 | T147-N150 WeakPolarHBondContact O-CB 3.21Å; T147-N150 PolarHBondContact O-N 3.46Å; T147-N150 PolarHBondContact O-ND2 3.34Å; L148-N150 PolarHBondContact O-N 3.05Å; L148-N150 VanDerWaalsContact O-N 3.14Å |
| 151 | Y | 92.1 | Very high | 93 | Very high | 117 Ų | 117 | 64.8 Ų | 64.8 | 46% | 0.459 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -112.1 | -4.1 | -176.4 | -52.2 | -72.3 | 0 | 0 | 0 | 113.4 | R115 L148 A149 | R115-Y151 HydrophobicContact CB-CD2 4.35Å; R115-Y151 HydrophobicContact CB-CE2 4.3Å; R115-Y151 HydrophobicContact CG-CD2 4.09Å; R115-Y151 HydrophobicContact CG-CE2 3.76Å; R115-Y151 VanDerWaalsContact NE-CE1 3.29Å; L148-Y151 PolarHBondContact O-N 3.3Å; A149-Y151 PolarHBondContact O-N 3.42Å |
| 152 | H | 91.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -104.1 | 139.4 | -175.9 | -71.6 | 149.3 | 0 | 0 | 0 | 112.1 | Y144 L148 A149 V156 R157 | Y144-H152 AromaticContact CE2-CE1 3.89Å; Y144-H152 AromaticContact CE2-ND1 3.38Å; Y144-H152 WeakPolarHBondContact CE2-ND1 3.34Å; Y144-H152 AromaticContact CZ-ND1 3.49Å; Y144-H152 PolarHBondContact OH-ND1 2.96Å; L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 PolarHBondContact O-ND1 3.04Å; A149-H152 PolarHBondContact O-N 3.24Å; H152-V156 HydrophobicContact CB-CB 4.1Å; H152-V156 HydrophobicContact CB-CG1 3.82Å; H152-R157 HydrophobicContact CB-CG 3.92Å |
| 153 | S | 93.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | trans | -62.3 | 158.3 | 173.1 | 73.2 | 0 | 0 | 0 | 0 | 110.8 | I155 V156 R157 | S153-I155 PolarHBondContact O-N 2.63Å; S153-V156 PolarHBondContact O-N 3.24Å; S153-V156 VanDerWaalsContact O-N 3.09Å; S153-V156 WeakPolarHBondContact OG-CG2 3.31Å; S153-R157 WeakPolarHBondContact O-CG 3.49Å; S153-R157 PolarHBondContact O-N 2.81Å | ||
| 154 | W | 93.4 | Very high | 91.9 | Very high | 170 Ų | 170 | 63.3 Ų | 63.3 | 64% | 0.644 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -53.1 | -42.2 | 179.5 | 178.6 | 84.4 | 0 | 0 | 0 | 112.8 | V156 R157 Q158 | W154-V156 PolarHBondContact O-N 2.85Å; W154-R157 PolarHBondContact O-N 3.14Å; W154-Q158 HydrophobicContact CD2-CG 4.16Å; W154-Q158 HydrophobicContact CE3-CG 4.45Å; W154-Q158 HydrophobicContact CH2-CG 4.12Å; W154-Q158 HydrophobicContact CZ2-CG 3.81Å; W154-Q158 HydrophobicContact CZ3-CG 4.43Å; W154-Q158 WeakPolarHBondContact O-CG 3.36Å; W154-Q158 PolarHBondContact O-N 3.2Å |
| 155 | I | 93.3 | Very high | 91.6 | Very high | 123 Ų | 123 | 68.1 Ų | 68.1 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 179.3 | -59.1 | 175.4 | 0 | 0 | 0 | 111.2 | S153 R157 Q158 A159 | S153-I155 PolarHBondContact O-N 2.63Å; I155-R157 VanDerWaalsContact C-N 3.35Å; I155-R157 PolarHBondContact O-N 3.34Å; I155-Q158 PolarHBondContact O-N 3.28Å; I155-A159 PolarHBondContact O-N 3.13Å; I155-A159 VanDerWaalsContact O-N 3.07Å |
| 156 | V | 90.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | H152 S153 W154 Q158 A159 V160 | H152-V156 HydrophobicContact CB-CB 4.1Å; H152-V156 HydrophobicContact CB-CG1 3.82Å; S153-V156 PolarHBondContact O-N 3.24Å; S153-V156 VanDerWaalsContact O-N 3.09Å; S153-V156 WeakPolarHBondContact OG-CG2 3.31Å; W154-V156 PolarHBondContact O-N 2.85Å; V156-Q158 VanDerWaalsContact C-N 3.32Å; V156-Q158 PolarHBondContact O-N 3.41Å; V156-A159 PolarHBondContact O-N 3.05Å; V156-V160 HydrophobicContact CG1-CG2 4.26Å; V156-V160 WeakPolarHBondContact O-CG2 3.44Å; V156-V160 PolarHBondContact O-N 3.02Å |
| 157 | R | 92.8 | Very high | 90.7 | Very high | 95 Ų | 95 | 64.4 Ų | 64.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 176.4 | -67.9 | -174.9 | -72.8 | 174.4 | 0.1 | 112.4 | Y144 A149 H152 S153 W154 I155 T161 | Y144-R157 HydrophobicContact CE1-CB 4.36Å; Y144-R157 HydrophobicContact CE1-CG 4.08Å; Y144-R157 WeakPolarHBondContact OH-CA 3.44Å; Y144-R157 WeakPolarHBondContact OH-CG 3.47Å; A149-R157 HydrophobicContact CB-CG 4.46Å; H152-R157 HydrophobicContact CB-CG 3.92Å; S153-R157 WeakPolarHBondContact O-CG 3.49Å; S153-R157 PolarHBondContact O-N 2.81Å; W154-R157 PolarHBondContact O-N 3.14Å; I155-R157 VanDerWaalsContact C-N 3.35Å; I155-R157 PolarHBondContact O-N 3.34Å; R157-T161 WeakPolarHBondContact O-CB 3.39Å; R157-T161 PolarHBondContact O-N 3.27Å; R157-T161 PolarHBondContact O-OG1 3.4Å |
| 158 | Q | 91.5 | Very high | 90.4 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 175.8 | -64.8 | -54.2 | -50.9 | 0 | 0 | 111.8 | W154 I155 V156 V160 T161 V162 | W154-Q158 HydrophobicContact CD2-CG 4.16Å; W154-Q158 HydrophobicContact CE3-CG 4.45Å; W154-Q158 HydrophobicContact CH2-CG 4.12Å; W154-Q158 HydrophobicContact CZ2-CG 3.81Å; W154-Q158 HydrophobicContact CZ3-CG 4.43Å; W154-Q158 WeakPolarHBondContact O-CG 3.36Å; W154-Q158 PolarHBondContact O-N 3.2Å; I155-Q158 PolarHBondContact O-N 3.28Å; V156-Q158 VanDerWaalsContact C-N 3.32Å; V156-Q158 PolarHBondContact O-N 3.41Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.12Å; Q158-T161 PolarHBondContact O-N 2.76Å; Q158-V162 WeakPolarHBondContact O-CG2 3.38Å; Q158-V162 PolarHBondContact O-N 2.83Å |
| 159 | A | 89.2 | Confident | 90.4 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I155 V156 V162 A163 | I155-A159 PolarHBondContact O-N 3.13Å; I155-A159 VanDerWaalsContact O-N 3.07Å; V156-A159 PolarHBondContact O-N 3.05Å; A159-V162 PolarHBondContact O-N 3.04Å; A159-A163 PolarHBondContact O-N 3.33Å |
| 160 | V | 87.9 | Confident | 90.3 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 12% | 0.121 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Y144 V156 Q158 V162 A163 F164 | Y144-V160 HydrophobicContact CD1-CG1 4.41Å; Y144-V160 HydrophobicContact CD2-CG1 3.89Å; Y144-V160 HydrophobicContact CE1-CG1 4.2Å; Y144-V160 HydrophobicContact CE2-CB 4.24Å; Y144-V160 HydrophobicContact CE2-CG1 3.63Å; Y144-V160 HydrophobicContact CE2-CG2 4.34Å; Y144-V160 HydrophobicContact CG-CG1 4.26Å; V156-V160 HydrophobicContact CG1-CG2 4.26Å; V156-V160 WeakPolarHBondContact O-CG2 3.44Å; V156-V160 PolarHBondContact O-N 3.02Å; Q158-V160 VanDerWaalsContact C-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.12Å; V160-V162 VanDerWaalsContact C-N 3.32Å; V160-V162 PolarHBondContact O-N 2.99Å; V160-A163 WeakPolarHBondContact O-CB 3.36Å; V160-A163 PolarHBondContact O-N 2.74Å; V160-A163 VanDerWaalsContact O-N 3.1Å; V160-F164 HydrophobicContact CG1-CD1 4.36Å; V160-F164 HydrophobicContact CG1-CD2 4.29Å; V160-F164 HydrophobicContact CG1-CE1 3.63Å; V160-F164 HydrophobicContact CG1-CE2 3.54Å; V160-F164 HydrophobicContact CG1-CZ 3.17Å; V160-F164 WeakPolarHBondContact O-CG 3.42Å; V160-F164 PolarHBondContact O-N 3.23Å |
| 161 | T | 87.8 | Confident | 90.1 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | R157 Q158 A163 F164 | R157-T161 WeakPolarHBondContact O-CB 3.39Å; R157-T161 PolarHBondContact O-N 3.27Å; R157-T161 PolarHBondContact O-OG1 3.4Å; Q158-T161 PolarHBondContact O-N 2.76Å; T161-A163 VanDerWaalsContact C-N 3.33Å; T161-A163 PolarHBondContact O-N 3.21Å; T161-F164 PolarHBondContact O-N 3.48Å |
| 162 | V | 88.6 | Confident | 90 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 65% | 0.648 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 174 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | Q158 A159 V160 F164 C165 | Q158-V162 WeakPolarHBondContact O-CG2 3.38Å; Q158-V162 PolarHBondContact O-N 2.83Å; A159-V162 PolarHBondContact O-N 3.04Å; V160-V162 VanDerWaalsContact C-N 3.32Å; V160-V162 PolarHBondContact O-N 2.99Å; V162-F164 VanDerWaalsContact C-N 3.29Å; V162-F164 PolarHBondContact O-N 3.09Å; V162-C165 WeakPolarHBondContact O-CB 3.4Å; V162-C165 PolarHBondContact O-N 3.22Å; V162-C165 VanDerWaalsContact O-N 3.17Å |
| 163 | A | 86.3 | Confident | 89.9 | Confident | 11 Ų | 11 | 64 Ų | 64 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V49 I53 A159 V160 T161 C165 A166 | V49-A163 HydrophobicContact CG1-CB 3.55Å; V49-A163 WeakPolarHBondContact CG1-O 3.34Å; I53-A163 HydrophobicContact CD1-CB 3.84Å; I53-A163 HydrophobicContact CG1-CB 4.37Å; A159-A163 PolarHBondContact O-N 3.33Å; V160-A163 WeakPolarHBondContact O-CB 3.36Å; V160-A163 PolarHBondContact O-N 2.74Å; V160-A163 VanDerWaalsContact O-N 3.1Å; T161-A163 VanDerWaalsContact C-N 3.33Å; T161-A163 PolarHBondContact O-N 3.21Å; A163-C165 PolarHBondContact O-N 3.5Å; A163-A166 WeakPolarHBondContact O-CB 3.48Å; A163-A166 PolarHBondContact O-N 3.26Å |
| 164 | F | 88.6 | Confident | 89.7 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -25 | 176.5 | -62.3 | -24.5 | 0 | 0 | 0 | 113.8 | W119 S137 C140 Y144 V160 T161 V162 A166 L167 | W119-F164 HydrophobicContact CZ2-CE1 4.28Å; W119-F164 HydrophobicContact CZ2-CZ 4.43Å; S137-F164 WeakPolarHBondContact CB-O 3.31Å; C140-F164 HydrophobicContact CB-CD1 4.36Å; C140-F164 HydrophobicContact CB-CG 4.43Å; C140-F164 WeakPolarHBondContact SG-CD1 3.4Å; C140-F164 WeakPolarHBondContact SG-CE1 3.09Å; Y144-F164 HydrophobicContact CD1-CE2 4.16Å; Y144-F164 HydrophobicContact CD2-CE2 4.39Å; Y144-F164 HydrophobicContact CD2-CZ 4.06Å; Y144-F164 AromaticContact CG-CE2 3.81Å; Y144-F164 HydrophobicContact CG-CE2 3.81Å; Y144-F164 AromaticContact CG-CZ 3.91Å; Y144-F164 HydrophobicContact CG-CZ 3.91Å; V160-F164 HydrophobicContact CG1-CD1 4.36Å; V160-F164 HydrophobicContact CG1-CD2 4.29Å; V160-F164 HydrophobicContact CG1-CE1 3.63Å; V160-F164 HydrophobicContact CG1-CE2 3.54Å; V160-F164 HydrophobicContact CG1-CZ 3.17Å; V160-F164 WeakPolarHBondContact O-CG 3.42Å; V160-F164 PolarHBondContact O-N 3.23Å; T161-F164 PolarHBondContact O-N 3.48Å; V162-F164 VanDerWaalsContact C-N 3.29Å; V162-F164 PolarHBondContact O-N 3.09Å; F164-A166 PolarHBondContact O-N 3.47Å; F164-L167 HydrophobicContact CB-CD1 3.98Å; F164-L167 HydrophobicContact CD1-CD1 4.04Å; F164-L167 HydrophobicContact CG-CD1 4.28Å; F164-L167 VanDerWaalsContact O-CB 3.29Å; F164-L167 WeakPolarHBondContact O-CB 2.81Å; F164-L167 PolarHBondContact O-N 3.31Å; F164-L167 VanDerWaalsContact O-N 3.08Å |
| 165 | C | 87.6 | Confident | 89.4 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.6 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | V162 A163 | V162-C165 WeakPolarHBondContact O-CB 3.4Å; V162-C165 PolarHBondContact O-N 3.22Å; V162-C165 VanDerWaalsContact O-N 3.17Å; A163-C165 PolarHBondContact O-N 3.5Å |
| 166 | A | 87.4 | Confident | 89 | Confident | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V49 A163 F164 | V49-A166 HydrophobicContact CB-CB 4.16Å; V49-A166 HydrophobicContact CG1-CB 4.16Å; V49-A166 HydrophobicContact CG2-CB 3.67Å; A163-A166 WeakPolarHBondContact O-CB 3.48Å; A163-A166 PolarHBondContact O-N 3.26Å; F164-A166 PolarHBondContact O-N 3.47Å |
| 167 | L | 86.5 | Confident | 88.6 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.2 | 173 | -84.6 | 158.7 | 0 | 0 | 0 | 110.6 | F50 T136 C140 F164 F173 | F50-L167 HydrophobicContact CE1-CD2 3.84Å; F50-L167 HydrophobicContact CE2-CD2 3.79Å; F50-L167 HydrophobicContact CE2-CG 4.31Å; F50-L167 HydrophobicContact CZ-CD2 3.06Å; F50-L167 HydrophobicContact CZ-CG 3.59Å; T136-L167 HydrophobicContact CG2-CB 4.28Å; T136-L167 HydrophobicContact CG2-CD1 4.28Å; T136-L167 HydrophobicContact CG2-CD2 3.83Å; T136-L167 HydrophobicContact CG2-CG 4.37Å; C140-L167 HydrophobicContact CB-CD1 3.4Å; F164-L167 HydrophobicContact CB-CD1 3.98Å; F164-L167 HydrophobicContact CD1-CD1 4.04Å; F164-L167 HydrophobicContact CG-CD1 4.28Å; F164-L167 VanDerWaalsContact O-CB 3.29Å; F164-L167 WeakPolarHBondContact O-CB 2.81Å; F164-L167 PolarHBondContact O-N 3.31Å; F164-L167 VanDerWaalsContact O-N 3.08Å; L167-F173 HydrophobicContact CD2-CD2 4.05Å; L167-F173 HydrophobicContact CD2-CE2 3.86Å |
| 168 | P | 89.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 20% | 0.201 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -69 | 171.4 | 172.5 | 32.9 | -35.9 | 0 | 0 | 0 | 110.8 | L46 T136 V172 F173 | L46-P168 HydrophobicContact CD2-CG 4.4Å; T136-P168 VanDerWaalsContact CB-O 3.22Å; T136-P168 WeakPolarHBondContact CB-O 3.2Å; T136-P168 PolarHBondContact OG1-O 3.46Å; P168-V172 HydrophobicContact CB-CB 3.91Å; P168-V172 HydrophobicContact CB-CG1 3.6Å; P168-V172 HydrophobicContact CG-CG1 4.23Å; P168-F173 HydrophobicContact CG-CB 4.3Å; P168-F173 HydrophobicContact CG-CD2 4.16Å |
| 169 | S | 91.6 | Very high | 87.8 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.8 | 173 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | K171 V172 F173 | S169-K171 PolarHBondContact O-N 3.02Å; S169-V172 PolarHBondContact O-N 3.5Å; S169-V172 WeakPolarHBondContact OG-CG2 3.46Å; S169-V172 PolarHBondContact OG-N 3.4Å; S169-F173 WeakPolarHBondContact O-CB 3.39Å; S169-F173 PolarHBondContact O-N 3.14Å |
| 170 | R | 92.4 | Very high | 87.6 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.4 | -44.3 | 179.4 | 174.3 | 179.5 | 179.7 | -80 | -0.8 | 111.6 | L127 S130 S131 A134 T136 F173 L174 | L127-R170 HydrophobicContact CD1-CB 4.43Å; L127-R170 HydrophobicContact CD1-CG 3.85Å; L127-R170 PolarHBondContact O-NE 3.39Å; L127-R170 VanDerWaalsContact O-NE 3.11Å; L127-R170 PolarHBondContact O-NH2 3.07Å; L127-R170 VanDerWaalsContact O-NH2 3.11Å; S130-R170 PolarHBondContact O-NH2 3Å; S130-R170 WeakPolarHBondContact OG-CD 3.39Å; S130-R170 PolarHBondContact OG-NE 3.29Å; S131-R170 WeakPolarHBondContact O-CD 3.49Å; S131-R170 PolarHBondContact O-NE 2.73Å; A134-R170 WeakPolarHBondContact O-CB 3.42Å; T136-R170 WeakPolarHBondContact OG1-CA 3.45Å; T136-R170 PolarHBondContact OG1-N 3.07Å; R170-F173 WeakPolarHBondContact O-CB 3.44Å; R170-F173 PolarHBondContact O-N 3.3Å; R170-L174 HydrophobicContact CG-CD1 4.13Å; R170-L174 WeakPolarHBondContact O-CG 3.3Å; R170-L174 PolarHBondContact O-N 3.42Å |
| 171 | K | 91.1 | Very high | 87.7 | Confident | 126 Ų | 126 | 54.2 Ų | 54.2 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.5 | -54.5 | 177 | 178.5 | 173.4 | 175.3 | 172 | 0 | 111.8 | S169 F173 L174 E175 T182 | S169-K171 PolarHBondContact O-N 3.02Å; K171-F173 VanDerWaalsContact C-N 3.25Å; K171-F173 PolarHBondContact O-N 3.03Å; K171-L174 PolarHBondContact O-N 3.5Å; K171-L174 VanDerWaalsContact O-N 3.16Å; K171-E175 WeakPolarHBondContact CE-OE1 3.43Å; K171-E175 HydrophobicContact CG-CG 4.41Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 3.89Å; K171-E175 WeakPolarHBondContact O-CG 3.39Å; K171-E175 PolarHBondContact O-N 2.98Å; K171-T182 HydrophobicContact CG-CG2 4.47Å |
| 172 | V | 88.8 | Confident | 87.8 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 42% | 0.418 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | P168 S169 A176 | P168-V172 HydrophobicContact CB-CB 3.91Å; P168-V172 HydrophobicContact CB-CG1 3.6Å; P168-V172 HydrophobicContact CG-CG1 4.23Å; S169-V172 PolarHBondContact O-N 3.5Å; S169-V172 WeakPolarHBondContact OG-CG2 3.46Å; S169-V172 PolarHBondContact OG-N 3.4Å; V172-A176 PolarHBondContact O-N 3.42Å |
| 173 | F | 89.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.7 | -164.1 | -76.2 | 0 | 0 | 0 | 112.2 | F42 L46 F123 L124 L127 T136 L167 P168 S169 R170 K171 A176 M177 | F42-F173 AromaticContact CE1-CE1 3.52Å; F42-F173 HydrophobicContact CE1-CE1 3.52Å; F42-F173 AromaticContact CE1-CZ 3.56Å; F42-F173 HydrophobicContact CE1-CZ 3.56Å; F42-F173 AromaticContact CZ-CD1 3.94Å; F42-F173 HydrophobicContact CZ-CD1 3.94Å; F42-F173 AromaticContact CZ-CE1 3.27Å; F42-F173 HydrophobicContact CZ-CE1 3.27Å; F42-F173 AromaticContact CZ-CZ 3.62Å; F42-F173 HydrophobicContact CZ-CZ 3.62Å; L46-F173 HydrophobicContact CD1-CD2 3.78Å; L46-F173 HydrophobicContact CD1-CE1 4.5Å; L46-F173 HydrophobicContact CD1-CE2 3.16Å; L46-F173 HydrophobicContact CD1-CZ 3.54Å; L46-F173 HydrophobicContact CD2-CD2 4.05Å; L46-F173 HydrophobicContact CD2-CE2 4.27Å; L46-F173 HydrophobicContact CD2-CG 4.42Å; L46-F173 HydrophobicContact CG-CE2 4.33Å; F123-F173 AromaticContact CE1-CE1 3.91Å; F123-F173 HydrophobicContact CE1-CE1 3.91Å; F123-F173 AromaticContact CE1-CE2 3.85Å; F123-F173 HydrophobicContact CE1-CE2 3.85Å; F123-F173 AromaticContact CE1-CZ 3.33Å; F123-F173 HydrophobicContact CE1-CZ 3.33Å; F123-F173 HydrophobicContact CZ-CD2 4.3Å; F123-F173 AromaticContact CZ-CE1 3.92Å; F123-F173 HydrophobicContact CZ-CE1 3.92Å; F123-F173 AromaticContact CZ-CE2 3.63Å; F123-F173 HydrophobicContact CZ-CE2 3.63Å; F123-F173 AromaticContact CZ-CZ 3.48Å; F123-F173 HydrophobicContact CZ-CZ 3.48Å; F123-F173 VanDerWaalsContact CZ-CZ 3.48Å; L124-F173 HydrophobicContact CD2-CE1 4.5Å; L127-F173 HydrophobicContact CD1-CD1 4.27Å; L127-F173 HydrophobicContact CD2-CD1 3.36Å; L127-F173 HydrophobicContact CD2-CE1 3.67Å; L127-F173 HydrophobicContact CD2-CG 4.36Å; L127-F173 HydrophobicContact CG-CD1 4.47Å; T136-F173 HydrophobicContact CG2-CB 4.36Å; T136-F173 HydrophobicContact CG2-CD2 3.65Å; T136-F173 HydrophobicContact CG2-CE2 4.16Å; T136-F173 HydrophobicContact CG2-CG 4.06Å; L167-F173 HydrophobicContact CD2-CD2 4.05Å; L167-F173 HydrophobicContact CD2-CE2 3.86Å; P168-F173 HydrophobicContact CG-CB 4.3Å; P168-F173 HydrophobicContact CG-CD2 4.16Å; S169-F173 WeakPolarHBondContact O-CB 3.39Å; S169-F173 PolarHBondContact O-N 3.14Å; R170-F173 WeakPolarHBondContact O-CB 3.44Å; R170-F173 PolarHBondContact O-N 3.3Å; K171-F173 VanDerWaalsContact C-N 3.25Å; K171-F173 PolarHBondContact O-N 3.03Å; F173-A176 PolarHBondContact O-N 3.4Å; F173-M177 HydrophobicContact CD1-CE 3.94Å; F173-M177 HydrophobicContact CE1-CE 3.75Å |
| 174 | L | 89.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.1 | -38.8 | 176.7 | -71.9 | 171.4 | 0 | 0 | 0 | 111.9 | L127 R170 K171 A176 M177 T182 A185 V186 L189 | L127-L174 HydrophobicContact CD2-CD2 3.56Å; L127-L174 HydrophobicContact CD2-CG 4.09Å; L127-L174 HydrophobicContact CG-CD2 4.07Å; L127-L174 HydrophobicContact CG-CG 4.37Å; R170-L174 HydrophobicContact CG-CD1 4.13Å; R170-L174 WeakPolarHBondContact O-CG 3.3Å; R170-L174 PolarHBondContact O-N 3.42Å; K171-L174 PolarHBondContact O-N 3.5Å; K171-L174 VanDerWaalsContact O-N 3.16Å; L174-A176 PolarHBondContact O-N 2.96Å; L174-M177 HydrophobicContact CD2-CE 4.15Å; L174-M177 HydrophobicContact CD2-SD 3.91Å; L174-M177 VanDerWaalsContact O-CB 3.23Å; L174-M177 WeakPolarHBondContact O-CB 3.46Å; L174-M177 WeakPolarHBondContact O-CG 2.95Å; L174-M177 PolarHBondContact O-N 3.21Å; L174-T182 HydrophobicContact CB-CG2 3.77Å; L174-T182 HydrophobicContact CD1-CG2 4.35Å; L174-A185 HydrophobicContact CB-CB 4.41Å; L174-A185 HydrophobicContact CD2-CB 4.13Å; L174-V186 HydrophobicContact CD1-CG2 4.01Å; L174-V186 HydrophobicContact CD2-CG2 4.2Å; L174-L189 HydrophobicContact CD2-CD1 4.15Å |
| 175 | E | 87.1 | Confident | 88.2 | Confident | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -35.1 | 174.8 | -72.8 | 170.2 | 165.3 | 0 | 0 | 111.8 | K171 M177 N178 T182 | K171-E175 WeakPolarHBondContact CE-OE1 3.43Å; K171-E175 HydrophobicContact CG-CG 4.41Å; K171-E175 WeakPolarHBondContact CG-OE1 3.49Å; K171-E175 IonicContact NZ-OE1 3.89Å; K171-E175 WeakPolarHBondContact O-CG 3.39Å; K171-E175 PolarHBondContact O-N 2.98Å; E175-M177 PolarHBondContact O-N 3.41Å; E175-M177 VanDerWaalsContact O-N 3.11Å; E175-N178 PolarHBondContact O-N 3.25Å; E175-N178 VanDerWaalsContact O-N 3.16Å; E175-T182 HydrophobicContact CG-CG2 4.09Å |
| 176 | A | 84.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | F42 L46 V172 F173 L174 N178 | F42-A176 HydrophobicContact CE2-CB 4.36Å; L46-A176 HydrophobicContact CD2-CB 3.51Å; V172-A176 PolarHBondContact O-N 3.42Å; F173-A176 PolarHBondContact O-N 3.4Å; L174-A176 PolarHBondContact O-N 2.96Å; A176-N178 PolarHBondContact O-N 2.98Å |
| 177 | M | 84.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.8 | 173.8 | -59.2 | -176.2 | 171.7 | 0 | 0 | 113.3 | L10 F42 L124 L127 F173 L174 E175 M179 A185 L189 | L10-M177 HydrophobicContact CD2-CB 3.94Å; L10-M177 HydrophobicContact CD2-CE 3.99Å; L10-M177 HydrophobicContact CD2-CG 3.68Å; L10-M177 HydrophobicContact CD2-SD 3.35Å; L10-M177 WeakPolarHBondContact CD2-SD 3.44Å; F42-M177 HydrophobicContact CE1-CE 4.17Å; F42-M177 HydrophobicContact CE2-CE 4.47Å; F42-M177 HydrophobicContact CE2-CG 3.8Å; F42-M177 HydrophobicContact CZ-CE 3.65Å; F42-M177 HydrophobicContact CZ-CG 3.9Å; L124-M177 HydrophobicContact CD2-CE 4Å; L127-M177 HydrophobicContact CD2-CE 3.69Å; F173-M177 HydrophobicContact CD1-CE 3.94Å; F173-M177 HydrophobicContact CE1-CE 3.75Å; L174-M177 HydrophobicContact CD2-CE 4.15Å; L174-M177 HydrophobicContact CD2-SD 3.91Å; L174-M177 VanDerWaalsContact O-CB 3.23Å; L174-M177 WeakPolarHBondContact O-CB 3.46Å; L174-M177 WeakPolarHBondContact O-CG 2.95Å; L174-M177 PolarHBondContact O-N 3.21Å; E175-M177 PolarHBondContact O-N 3.41Å; E175-M177 VanDerWaalsContact O-N 3.11Å; M177-M179 HydrophobicContact CB-CG 4.49Å; M177-M179 WeakPolarHBondContact O-CE 3.19Å; M177-M179 PolarHBondContact O-N 2.89Å; M177-A185 HydrophobicContact CB-CB 4.24Å; M177-A185 HydrophobicContact SD-CB 3.99Å; M177-L189 HydrophobicContact CE-CD1 3.96Å; M177-L189 HydrophobicContact CE-CD2 4.18Å; M177-L189 HydrophobicContact CE-CG 4.43Å; M177-L189 HydrophobicContact SD-CD1 4.03Å; M177-L189 HydrophobicContact SD-CD2 4.31Å; M177-L189 HydrophobicContact SD-CG 4.18Å |
| 178 | N | 83.6 | Confident | 88.6 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | trans | 58.1 | 43.9 | 175.5 | -160.6 | 22.6 | 0 | 0 | 0 | 113.3 | D7 F8 E175 A176 | D7-N178 PolarHBondContact OD2-ND2 3.34Å; F8-N178 WeakPolarHBondContact O-CB 3.46Å; F8-N178 PolarHBondContact O-ND2 2.91Å; E175-N178 PolarHBondContact O-N 3.25Å; E175-N178 VanDerWaalsContact O-N 3.16Å; A176-N178 PolarHBondContact O-N 2.98Å | ||
| 179 | M | 83.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | trans | -104.1 | 165.2 | 172.1 | -61.6 | -66.4 | 119.6 | 0 | 0 | 109.8 | N9 M177 S181 Q184 A185 | N9-M179 WeakPolarHBondContact OD1-CE 3.41Å; M177-M179 HydrophobicContact CB-CG 4.49Å; M177-M179 WeakPolarHBondContact O-CE 3.19Å; M177-M179 PolarHBondContact O-N 2.89Å; M179-S181 PolarHBondContact O-N 3.47Å; M179-Q184 HydrophobicContact CB-CB 4.2Å; M179-A185 HydrophobicContact CB-CB 4.23Å; M179-A185 HydrophobicContact CG-CB 4.07Å | ||
| 180 | E | 83.9 | Confident | 88.6 | Confident | 173 Ų | 173 | 53 Ų | 53 | 81% | 0.808 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -67.5 | -25.5 | -178.5 | -52.4 | 177.8 | 158 | 0 | 0 | 112.2 | Q184 | E180-Q184 VanDerWaalsContact CB-OE1 3.26Å; E180-Q184 PolarHBondContact OE2-NE2 3.34Å |
| 181 | S | 89.8 | Confident | 88.5 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -151.1 | 166.1 | 175.4 | 90.5 | 0 | 0 | 0 | 0 | 113 | M179 E183 Q184 A185 | M179-S181 PolarHBondContact O-N 3.47Å; S181-E183 VanDerWaalsContact C-N 3.25Å; S181-E183 WeakPolarHBondContact CB-OE2 3.25Å; S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 PolarHBondContact OG-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.61Å; S181-Q184 PolarHBondContact O-N 2.67Å; S181-Q184 PolarHBondContact OG-N 3.44Å; S181-A185 PolarHBondContact O-N 2.87Å; S181-A185 VanDerWaalsContact O-N 3.09Å |
| 182 | T | 90.1 | Very high | 88.2 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -31.2 | 174.7 | 41 | 0 | 0 | 0 | 0 | 112.6 | K171 L174 E175 A185 V186 | K171-T182 HydrophobicContact CG-CG2 4.47Å; L174-T182 HydrophobicContact CB-CG2 3.77Å; L174-T182 HydrophobicContact CD1-CG2 4.35Å; E175-T182 HydrophobicContact CG-CG2 4.09Å; T182-A185 WeakPolarHBondContact O-CB 3.44Å; T182-A185 PolarHBondContact O-N 2.8Å; T182-V186 VanDerWaalsContact O-CG2 3.31Å; T182-V186 WeakPolarHBondContact O-CG2 3.48Å; T182-V186 PolarHBondContact O-N 2.94Å |
| 183 | E | 91.6 | Very high | 88.3 | Confident | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 178.1 | -59.1 | 64.1 | -126.9 | 0 | 0 | 110.3 | S181 A185 V186 E187 | S181-E183 VanDerWaalsContact C-N 3.25Å; S181-E183 WeakPolarHBondContact CB-OE2 3.25Å; S181-E183 PolarHBondContact O-N 2.82Å; S181-E183 PolarHBondContact OG-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.61Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.96Å; E183-V186 WeakPolarHBondContact O-CB 3.47Å; E183-V186 PolarHBondContact O-N 2.91Å; E183-E187 PolarHBondContact O-N 3.24Å |
| 184 | Q | 90.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 173.2 | -73 | -175.4 | 5 | 0 | 0 | 111.8 | M179 E180 S181 V186 E187 M188 | M179-Q184 HydrophobicContact CB-CB 4.2Å; E180-Q184 VanDerWaalsContact CB-OE1 3.26Å; E180-Q184 PolarHBondContact OE2-NE2 3.34Å; S181-Q184 PolarHBondContact O-N 2.67Å; S181-Q184 PolarHBondContact OG-N 3.44Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; Q184-E187 PolarHBondContact O-N 3.47Å; Q184-M188 WeakPolarHBondContact O-CB 3.3Å; Q184-M188 PolarHBondContact O-N 2.89Å |
| 185 | A | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L174 M177 M179 S181 T182 E183 M188 L189 | L174-A185 HydrophobicContact CB-CB 4.41Å; L174-A185 HydrophobicContact CD2-CB 4.13Å; M177-A185 HydrophobicContact CB-CB 4.24Å; M177-A185 HydrophobicContact SD-CB 3.99Å; M179-A185 HydrophobicContact CB-CB 4.23Å; M179-A185 HydrophobicContact CG-CB 4.07Å; S181-A185 PolarHBondContact O-N 2.87Å; S181-A185 VanDerWaalsContact O-N 3.09Å; T182-A185 WeakPolarHBondContact O-CB 3.44Å; T182-A185 PolarHBondContact O-N 2.8Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.96Å; A185-M188 WeakPolarHBondContact O-CE 3.45Å; A185-L189 VanDerWaalsContact O-CG 3.27Å; A185-L189 WeakPolarHBondContact O-CG 3.27Å; A185-L189 PolarHBondContact O-N 3.08Å |
| 186 | V | 91.9 | Very high | 88.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 175.9 | 167 | 0 | 0 | 0 | 0 | 111.9 | R128 L174 T182 E183 Q184 L189 G190 | R128-V186 HydrophobicContact CG-CG1 3.71Å; R128-V186 WeakPolarHBondContact CG-O 3.38Å; L174-V186 HydrophobicContact CD1-CG2 4.01Å; L174-V186 HydrophobicContact CD2-CG2 4.2Å; T182-V186 VanDerWaalsContact O-CG2 3.31Å; T182-V186 WeakPolarHBondContact O-CG2 3.48Å; T182-V186 PolarHBondContact O-N 2.94Å; E183-V186 WeakPolarHBondContact O-CB 3.47Å; E183-V186 PolarHBondContact O-N 2.91Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; V186-L189 WeakPolarHBondContact O-CB 3.48Å; V186-L189 PolarHBondContact O-N 3.22Å; V186-G190 PolarHBondContact O-N 3.09Å |
| 187 | E | 91.4 | Very high | 88.9 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 60% | 0.603 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -48.7 | 177.2 | -178.6 | 174.4 | -161.2 | 0 | 0 | 111 | E183 Q184 L189 G190 E191 | E183-E187 PolarHBondContact O-N 3.24Å; Q184-E187 PolarHBondContact O-N 3.47Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 2.99Å; E187-G190 CarbonylContact O-C 3.54Å; E187-G190 VanDerWaalsContact O-CA 3.31Å; E187-G190 WeakPolarHBondContact O-CA 3.31Å; E187-G190 PolarHBondContact O-N 3.42Å; E187-E191 PolarHBondContact O-N 3.01Å |
| 188 | M | 88.1 | Confident | 89.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 177.5 | 178.9 | -64.9 | -44.2 | 0 | 0 | 111.1 | L10 L14 Q184 A185 G190 E191 A192 | L10-M188 HydrophobicContact CB-CE 3.92Å; L10-M188 HydrophobicContact CB-SD 4.15Å; L10-M188 HydrophobicContact CD2-CE 3.07Å; L10-M188 HydrophobicContact CD2-SD 4.12Å; L10-M188 HydrophobicContact CG-CE 3.28Å; L10-M188 HydrophobicContact CG-SD 3.63Å; L14-M188 HydrophobicContact CD1-CG 3.66Å; L14-M188 HydrophobicContact CD1-SD 3.16Å; L14-M188 WeakPolarHBondContact CD1-SD 3.16Å; L14-M188 HydrophobicContact CD2-SD 3.75Å; L14-M188 HydrophobicContact CG-SD 3.6Å; Q184-M188 WeakPolarHBondContact O-CB 3.3Å; Q184-M188 PolarHBondContact O-N 2.89Å; A185-M188 WeakPolarHBondContact O-CE 3.45Å; M188-G190 VanDerWaalsContact C-N 3.27Å; M188-G190 PolarHBondContact O-N 3.28Å; M188-E191 PolarHBondContact O-N 3.33Å; M188-A192 VanDerWaalsContact O-CB 3.25Å; M188-A192 WeakPolarHBondContact O-CB 3.5Å; M188-A192 PolarHBondContact O-N 2.97Å; M188-A192 HydrophobicContact SD-CB 4.35Å |
| 189 | L | 89.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 173 | -74.3 | 172.7 | 0 | 0 | 0 | 111.3 | L10 L124 L127 R128 L174 M177 A185 V186 E187 E191 A192 L193 | L10-L189 HydrophobicContact CD2-CD2 3.94Å; L124-L189 HydrophobicContact CB-CD2 4.24Å; L124-L189 HydrophobicContact CD1-CD2 4.17Å; L124-L189 HydrophobicContact CD2-CD2 4.02Å; L124-L189 HydrophobicContact CG-CD2 4.37Å; L127-L189 HydrophobicContact CD2-CD1 4.36Å; R128-L189 HydrophobicContact CB-CB 4.34Å; R128-L189 HydrophobicContact CB-CD1 4.26Å; R128-L189 HydrophobicContact CG-CB 4.2Å; L174-L189 HydrophobicContact CD2-CD1 4.15Å; M177-L189 HydrophobicContact CE-CD1 3.96Å; M177-L189 HydrophobicContact CE-CD2 4.18Å; M177-L189 HydrophobicContact CE-CG 4.43Å; M177-L189 HydrophobicContact SD-CD1 4.03Å; M177-L189 HydrophobicContact SD-CD2 4.31Å; M177-L189 HydrophobicContact SD-CG 4.18Å; A185-L189 VanDerWaalsContact O-CG 3.27Å; A185-L189 WeakPolarHBondContact O-CG 3.27Å; A185-L189 PolarHBondContact O-N 3.08Å; V186-L189 WeakPolarHBondContact O-CB 3.48Å; V186-L189 PolarHBondContact O-N 3.22Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 2.99Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 2.96Å; L189-A192 WeakPolarHBondContact O-CB 3.26Å; L189-A192 PolarHBondContact O-N 3.2Å; L189-L193 HydrophobicContact CB-CD1 4.49Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 WeakPolarHBondContact O-CD1 3.4Å; L189-L193 WeakPolarHBondContact O-CG 3.38Å; L189-L193 PolarHBondContact O-N 2.96Å |
| 190 | G | 90.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V186 E187 M188 P194 | V186-G190 PolarHBondContact O-N 3.09Å; E187-G190 CarbonylContact O-C 3.54Å; E187-G190 VanDerWaalsContact O-CA 3.31Å; E187-G190 WeakPolarHBondContact O-CA 3.31Å; E187-G190 PolarHBondContact O-N 3.42Å; M188-G190 VanDerWaalsContact C-N 3.27Å; M188-G190 PolarHBondContact O-N 3.28Å; G190-P194 WeakPolarHBondContact O-CD 3.48Å |
| 191 | E | 89.3 | Confident | 91 | Very high | 120 Ų | 120 | 50 Ų | 50 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -74.7 | -34.3 | 173.7 | -62.2 | -173.2 | 167.3 | 0 | 0 | 112.6 | E187 M188 L189 F195 | E187-E191 PolarHBondContact O-N 3.01Å; M188-E191 PolarHBondContact O-N 3.33Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 2.96Å; E191-F195 WeakPolarHBondContact O-CD2 3.39Å; E191-F195 VanDerWaalsContact O-CE2 3.22Å; E191-F195 WeakPolarHBondContact O-CE2 3.5Å |
| 192 | A | 86.3 | Confident | 91.3 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -53.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L14 M188 L189 P194 F195 I196 | L14-A192 HydrophobicContact CD1-CB 3.88Å; L14-A192 HydrophobicContact CD2-CB 3.04Å; L14-A192 HydrophobicContact CG-CB 4Å; M188-A192 VanDerWaalsContact O-CB 3.25Å; M188-A192 WeakPolarHBondContact O-CB 3.5Å; M188-A192 PolarHBondContact O-N 2.97Å; M188-A192 HydrophobicContact SD-CB 4.35Å; L189-A192 WeakPolarHBondContact O-CB 3.26Å; L189-A192 PolarHBondContact O-N 3.2Å; A192-P194 VanDerWaalsContact C-CD 3.46Å; A192-F195 WeakPolarHBondContact O-CB 3.39Å; A192-F195 PolarHBondContact O-N 3.36Å; A192-I196 PolarHBondContact O-N 2.67Å |
| 193 | L | 89.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | -164.2 | -75.4 | 165.6 | 0 | 0 | 0 | 112.8 | Q121 L124 D125 L189 F195 I196 E197 | Q121-L193 HydrophobicContact CG-CD2 4.12Å; L124-L193 HydrophobicContact CB-CD2 3.91Å; L124-L193 HydrophobicContact CD1-CD2 4.49Å; D125-L193 HydrophobicContact CB-CD1 3.91Å; L189-L193 HydrophobicContact CB-CD1 4.49Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 WeakPolarHBondContact O-CD1 3.4Å; L189-L193 WeakPolarHBondContact O-CG 3.38Å; L189-L193 PolarHBondContact O-N 2.96Å; L193-F195 PolarHBondContact O-N 3.49Å; L193-I196 PolarHBondContact O-N 3.39Å; L193-I196 VanDerWaalsContact O-N 3.09Å; L193-E197 WeakPolarHBondContact O-CB 3.41Å; L193-E197 PolarHBondContact O-N 3.46Å |
| 194 | P | 90.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58 | -33.4 | 175.1 | -27.7 | 36.4 | 0 | 0 | 0 | 114 | G190 A192 H198 | G190-P194 WeakPolarHBondContact O-CD 3.48Å; A192-P194 VanDerWaalsContact C-CD 3.46Å; P194-H198 WeakPolarHBondContact O-CB 3.27Å; P194-H198 PolarHBondContact O-N 3.26Å |
| 195 | F | 89.9 | Confident | 92.3 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.9 | -38.7 | 176.4 | -61.7 | -70.1 | 0 | 0 | 0 | 111.9 | F17 K18 E191 A192 L193 H198 V199 | F17-F195 HydrophobicContact CB-CB 4.45Å; K18-F195 HydrophobicContact CB-CD1 4.14Å; K18-F195 HydrophobicContact CB-CE1 4.35Å; K18-F195 HydrophobicContact CB-CG 4.29Å; K18-F195 HydrophobicContact CD-CE1 4.11Å; K18-F195 HydrophobicContact CD-CZ 4.02Å; K18-F195 HydrophobicContact CG-CD1 4.06Å; K18-F195 HydrophobicContact CG-CE1 3.84Å; K18-F195 HydrophobicContact CG-CZ 4.23Å; E191-F195 WeakPolarHBondContact O-CD2 3.39Å; E191-F195 VanDerWaalsContact O-CE2 3.22Å; E191-F195 WeakPolarHBondContact O-CE2 3.5Å; A192-F195 WeakPolarHBondContact O-CB 3.39Å; A192-F195 PolarHBondContact O-N 3.36Å; L193-F195 PolarHBondContact O-N 3.49Å; F195-H198 PolarHBondContact O-N 3.44Å; F195-V199 WeakPolarHBondContact O-CG2 3.26Å; F195-V199 PolarHBondContact O-N 3.2Å |
| 196 | I | 90.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.8 | -62.1 | 176.9 | 0 | 0 | 0 | 109.9 | F17 L117 Q121 A192 L193 V199 Y200 | F17-I196 HydrophobicContact CB-CG1 4.31Å; F17-I196 HydrophobicContact CD1-CG1 4.33Å; F17-I196 HydrophobicContact CD2-CD1 4.48Å; F17-I196 HydrophobicContact CD2-CG1 4.1Å; F17-I196 HydrophobicContact CG-CG1 3.99Å; L117-I196 HydrophobicContact CD1-CG2 3.78Å; L117-I196 HydrophobicContact CD2-CG2 4.11Å; L117-I196 HydrophobicContact CG-CG2 3.73Å; Q121-I196 HydrophobicContact CB-CG2 4.39Å; A192-I196 PolarHBondContact O-N 2.67Å; L193-I196 PolarHBondContact O-N 3.39Å; L193-I196 VanDerWaalsContact O-N 3.09Å; I196-V199 PolarHBondContact O-N 2.83Å; I196-Y200 WeakPolarHBondContact O-CB 3.46Å; I196-Y200 PolarHBondContact O-N 2.57Å |
| 197 | E | 92.2 | Very high | 92.9 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 176.4 | -175.9 | 170.8 | -149.9 | 0 | 0 | 111.3 | L193 V199 Y200 D201 | L193-E197 WeakPolarHBondContact O-CB 3.41Å; L193-E197 PolarHBondContact O-N 3.46Å; E197-V199 PolarHBondContact O-N 2.87Å; E197-Y200 CarbonylContact O-C 3.49Å; E197-Y200 WeakPolarHBondContact O-CA 2.94Å; E197-Y200 WeakPolarHBondContact O-CB 3.38Å; E197-Y200 PolarHBondContact O-N 3.22Å; E197-Y200 VanDerWaalsContact O-N 3.13Å; E197-D201 PolarHBondContact O-N 3.09Å |
| 198 | H | 92.7 | Very high | 93.2 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 178.5 | -163 | 163.9 | 0 | 0 | 0 | 112.3 | L21 P194 F195 Y200 D201 I202 | L21-H198 HydrophobicContact CD1-CB 3.89Å; P194-H198 WeakPolarHBondContact O-CB 3.27Å; P194-H198 PolarHBondContact O-N 3.26Å; F195-H198 PolarHBondContact O-N 3.44Å; H198-Y200 VanDerWaalsContact C-N 3.3Å; H198-Y200 PolarHBondContact O-N 3.13Å; H198-D201 PolarHBondContact O-N 3.13Å; H198-I202 VanDerWaalsContact CD2-CD1 3.41Å; H198-I202 WeakPolarHBondContact CD2-CD1 3.47Å; H198-I202 WeakPolarHBondContact O-CG1 3.37Å; H198-I202 PolarHBondContact O-N 2.81Å; H198-I202 VanDerWaalsContact O-N 3.12Å |
| 199 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 173.2 | 170 | 0 | 0 | 0 | 0 | 110.9 | F17 C20 L21 V27 Y32 L117 F195 I196 E197 S203 | F17-V199 HydrophobicContact CD1-CB 4.49Å; F17-V199 HydrophobicContact CD1-CG1 4.44Å; F17-V199 HydrophobicContact CD1-CG2 4.33Å; C20-V199 HydrophobicContact CB-CG2 3.7Å; L21-V199 HydrophobicContact CD1-CG2 4.04Å; L21-V199 HydrophobicContact CD2-CG2 3.79Å; L21-V199 HydrophobicContact CG-CG2 3.73Å; V27-V199 HydrophobicContact CG1-CG1 4.04Å; Y32-V199 HydrophobicContact CD2-CG1 3.92Å; Y32-V199 HydrophobicContact CE2-CG1 3.9Å; L117-V199 HydrophobicContact CD2-CG1 4.43Å; F195-V199 WeakPolarHBondContact O-CG2 3.26Å; F195-V199 PolarHBondContact O-N 3.2Å; I196-V199 PolarHBondContact O-N 2.83Å; E197-V199 PolarHBondContact O-N 2.87Å; V199-S203 VanDerWaalsContact O-CB 3.31Å; V199-S203 WeakPolarHBondContact O-CB 3.1Å; V199-S203 PolarHBondContact O-N 2.67Å; V199-S203 VanDerWaalsContact O-N 3.1Å; V199-S203 PolarHBondContact O-OG 2.73Å |
| 200 | Y | 95.2 | Very high | 93.9 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 11% | 0.114 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -51.1 | 175.7 | 177.8 | -94 | 0 | 0 | 0 | 111 | H114 H118 I196 E197 H198 I202 S203 Q204 | H114-Y200 AromaticContact CE1-CD2 3.06Å; H114-Y200 WeakPolarHBondContact CE1-CD2 3.41Å; H114-Y200 AromaticContact CE1-CE2 3.06Å; H114-Y200 WeakPolarHBondContact CE1-CE2 3.29Å; H114-Y200 AromaticContact CE1-CG 3.76Å; H114-Y200 AromaticContact CE1-CZ 3.83Å; H114-Y200 PolarHBondContact CE1-O 3.23Å; H114-Y200 VanDerWaalsContact CE1-O 3.26Å; H114-Y200 AromaticContact ND1-CD2 3.49Å; H114-Y200 WeakPolarHBondContact ND1-CD2 3.3Å; H114-Y200 AromaticContact ND1-CE2 3.71Å; H114-Y200 AromaticContact NE2-CD2 3.8Å; H114-Y200 AromaticContact NE2-CE2 3.27Å; H114-Y200 VanDerWaalsContact NE2-CE2 3.27Å; H114-Y200 WeakPolarHBondContact NE2-CE2 3.23Å; H114-Y200 AromaticContact NE2-CZ 3.79Å; H118-Y200 HydrophobicContact CB-CD2 4.08Å; H118-Y200 HydrophobicContact CB-CE2 3.48Å; H118-Y200 VanDerWaalsContact CB-CE2 3.48Å; H118-Y200 AromaticContact CG-CE2 3.88Å; H118-Y200 AromaticContact CG-CZ 3.74Å; H118-Y200 AromaticContact ND1-CZ 3.84Å; H118-Y200 PolarHBondContact ND1-OH 3.19Å; I196-Y200 WeakPolarHBondContact O-CB 3.46Å; I196-Y200 PolarHBondContact O-N 2.57Å; E197-Y200 CarbonylContact O-C 3.49Å; E197-Y200 WeakPolarHBondContact O-CA 2.94Å; E197-Y200 WeakPolarHBondContact O-CB 3.38Å; E197-Y200 PolarHBondContact O-N 3.22Å; E197-Y200 VanDerWaalsContact O-N 3.13Å; H198-Y200 VanDerWaalsContact C-N 3.3Å; H198-Y200 PolarHBondContact O-N 3.13Å; Y200-I202 PolarHBondContact O-N 3.04Å; Y200-S203 CarbonylContact O-C 3.46Å; Y200-S203 PolarHBondContact O-N 2.79Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; Y200-Q204 HydrophobicContact CE1-CB 4.24Å; Y200-Q204 HydrophobicContact CE1-CG 4.4Å; Y200-Q204 VanDerWaalsContact O-CB 3.25Å; Y200-Q204 WeakPolarHBondContact O-CB 3.42Å; Y200-Q204 PolarHBondContact O-N 3.28Å; Y200-Q204 PolarHBondContact OH-OE1 3.43Å |
| 201 | D | 96.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | -176.6 | -74.6 | -17.6 | 0 | 0 | 0 | 112.9 | E197 H198 S203 Q204 K205 | E197-D201 PolarHBondContact O-N 3.09Å; H198-D201 PolarHBondContact O-N 3.13Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 3.14Å; D201-Q204 PolarHBondContact O-N 2.83Å; D201-K205 VanDerWaalsContact O-CB 3.31Å; D201-K205 WeakPolarHBondContact O-CB 3.41Å; D201-K205 PolarHBondContact O-N 2.88Å |
| 202 | I | 96.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.9 | -70.5 | 168 | 0 | 0 | 0 | 110.3 | L21 G25 V27 H198 Y200 K205 L206 | L21-I202 HydrophobicContact CD1-CD1 4.24Å; L21-I202 HydrophobicContact CD2-CD1 3.56Å; G25-I202 WeakPolarHBondContact O-CG2 3.09Å; V27-I202 HydrophobicContact CG2-CB 4.18Å; V27-I202 HydrophobicContact CG2-CG2 3.67Å; H198-I202 VanDerWaalsContact CD2-CD1 3.41Å; H198-I202 WeakPolarHBondContact CD2-CD1 3.47Å; H198-I202 WeakPolarHBondContact O-CG1 3.37Å; H198-I202 PolarHBondContact O-N 2.81Å; H198-I202 VanDerWaalsContact O-N 3.12Å; Y200-I202 PolarHBondContact O-N 3.04Å; I202-K205 PolarHBondContact O-N 3.33Å; I202-L206 WeakPolarHBondContact O-CB 3.4Å; I202-L206 PolarHBondContact O-N 3.14Å |
| 203 | S | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | L79 V199 Y200 D201 K205 L206 Y207 | L79-S203 VanDerWaalsContact CD1-OG 3.29Å; L79-S203 WeakPolarHBondContact CD1-OG 3.49Å; V199-S203 VanDerWaalsContact O-CB 3.31Å; V199-S203 WeakPolarHBondContact O-CB 3.1Å; V199-S203 PolarHBondContact O-N 2.67Å; V199-S203 VanDerWaalsContact O-N 3.1Å; V199-S203 PolarHBondContact O-OG 2.73Å; Y200-S203 CarbonylContact O-C 3.46Å; Y200-S203 PolarHBondContact O-N 2.79Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 3.14Å; S203-K205 PolarHBondContact O-N 3.19Å; S203-L206 PolarHBondContact O-N 2.73Å; S203-Y207 WeakPolarHBondContact O-CB 3.32Å; S203-Y207 WeakPolarHBondContact O-CD2 3.19Å; S203-Y207 PolarHBondContact O-N 3.18Å |
| 204 | Q | 97.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 178.8 | -179.6 | 62.6 | 21.5 | 0 | 0 | 110.8 | H114 Y200 D201 Y207 A208 | H114-Q204 PolarHBondContact NE2-OE1 3.2Å; Y200-Q204 HydrophobicContact CE1-CB 4.24Å; Y200-Q204 HydrophobicContact CE1-CG 4.4Å; Y200-Q204 VanDerWaalsContact O-CB 3.25Å; Y200-Q204 WeakPolarHBondContact O-CB 3.42Å; Y200-Q204 PolarHBondContact O-N 3.28Å; Y200-Q204 PolarHBondContact OH-OE1 3.43Å; D201-Q204 PolarHBondContact O-N 2.83Å; Q204-Y207 PolarHBondContact O-N 3.1Å; Q204-A208 WeakPolarHBondContact O-CB 3.29Å; Q204-A208 PolarHBondContact O-N 3.05Å |
| 205 | K | 97.8 | Very high | 94.7 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.8 | -48.5 | 176.7 | -178.9 | 177.1 | 172.6 | -179.1 | 0 | 111.6 | D201 I202 S203 Y207 A208 E209 | D201-K205 VanDerWaalsContact O-CB 3.31Å; D201-K205 WeakPolarHBondContact O-CB 3.41Å; D201-K205 PolarHBondContact O-N 2.88Å; I202-K205 PolarHBondContact O-N 3.33Å; S203-K205 PolarHBondContact O-N 3.19Å; K205-Y207 VanDerWaalsContact C-N 3.32Å; K205-Y207 PolarHBondContact O-N 2.98Å; K205-A208 WeakPolarHBondContact O-CB 3.29Å; K205-A208 PolarHBondContact O-N 3.03Å; K205-E209 WeakPolarHBondContact CE-OE1 3.4Å; K205-E209 HydrophobicContact CG-CG 4.4Å; K205-E209 WeakPolarHBondContact CG-OE1 3.24Å; K205-E209 IonicContact NZ-OE1 3.97Å; K205-E209 WeakPolarHBondContact O-CG 3.43Å; K205-E209 PolarHBondContact O-N 2.89Å |
| 206 | L | 97.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 178.6 | 175.8 | 65.2 | 0 | 0 | 0 | 111.8 | L79 Q80 V83 I202 S203 H210 | L79-L206 HydrophobicContact CB-CD2 3.81Å; Q80-L206 HydrophobicContact CG-CD1 4.24Å; Q80-L206 HydrophobicContact CG-CD2 4.1Å; V83-L206 HydrophobicContact CB-CD2 4.42Å; V83-L206 HydrophobicContact CG1-CD1 4.43Å; V83-L206 HydrophobicContact CG2-CD2 3.93Å; V83-L206 HydrophobicContact CG2-CG 4.21Å; I202-L206 WeakPolarHBondContact O-CB 3.4Å; I202-L206 PolarHBondContact O-N 3.14Å; S203-L206 PolarHBondContact O-N 2.73Å; L206-H210 PolarHBondContact O-N 2.93Å; L206-H210 PolarHBondContact O-ND1 3.47Å |
| 207 | Y | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 178.9 | -87.2 | -106.6 | 0 | 0 | 0 | 112.3 | V83 C107 V110 L111 S203 Q204 K205 H210 S211 L212 | V83-Y207 HydrophobicContact CG2-CE2 4.48Å; C107-Y207 WeakPolarHBondContact CA-OH 3.41Å; C107-Y207 WeakPolarHBondContact O-CE1 3.43Å; C107-Y207 PolarHBondContact O-OH 3.22Å; V110-Y207 WeakPolarHBondContact CB-OH 3.34Å; V110-Y207 HydrophobicContact CG1-CE2 4.18Å; V110-Y207 VanDerWaalsContact CG1-OH 3.29Å; V110-Y207 WeakPolarHBondContact CG1-OH 3.44Å; L111-Y207 HydrophobicContact CB-CD1 4.36Å; L111-Y207 HydrophobicContact CB-CE1 3.75Å; L111-Y207 HydrophobicContact CD1-CD1 3.82Å; L111-Y207 HydrophobicContact CD1-CE1 4.08Å; L111-Y207 HydrophobicContact CG-CE1 4.41Å; L111-Y207 PolarHBondContact N-OH 3.2Å; S203-Y207 WeakPolarHBondContact O-CB 3.32Å; S203-Y207 WeakPolarHBondContact O-CD2 3.19Å; S203-Y207 PolarHBondContact O-N 3.18Å; Q204-Y207 PolarHBondContact O-N 3.1Å; K205-Y207 VanDerWaalsContact C-N 3.32Å; K205-Y207 PolarHBondContact O-N 2.98Å; Y207-H210 PolarHBondContact O-N 3.26Å; Y207-S211 PolarHBondContact O-N 3.15Å; Y207-L212 HydrophobicContact CD1-CB 3.48Å; Y207-L212 VanDerWaalsContact CD1-CB 3.48Å; Y207-L212 HydrophobicContact CD1-CD1 4.45Å; Y207-L212 WeakPolarHBondContact CD1-O 3.33Å; Y207-L212 HydrophobicContact CE1-CB 4.09Å; Y207-L212 HydrophobicContact CG-CB 4.2Å; Y207-L212 PolarHBondContact O-N 3.14Å |
| 208 | A | 97.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q204 K205 H210 S211 L213 | Q204-A208 WeakPolarHBondContact O-CB 3.29Å; Q204-A208 PolarHBondContact O-N 3.05Å; K205-A208 WeakPolarHBondContact O-CB 3.29Å; K205-A208 PolarHBondContact O-N 3.03Å; A208-H210 PolarHBondContact O-N 3.22Å; A208-S211 PolarHBondContact O-N 2.79Å; A208-L213 HydrophobicContact CB-CD1 3.7Å; A208-L213 HydrophobicContact CB-CG 4.41Å |
| 209 | E | 97.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 55.6 Ų | 55.6 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.2 | -28.9 | -179.7 | -74.3 | 173.2 | 172.9 | 0 | 0 | 112.8 | K205 | K205-E209 WeakPolarHBondContact CE-OE1 3.4Å; K205-E209 HydrophobicContact CG-CG 4.4Å; K205-E209 WeakPolarHBondContact CG-OE1 3.24Å; K205-E209 IonicContact NZ-OE1 3.97Å; K205-E209 WeakPolarHBondContact O-CG 3.43Å; K205-E209 PolarHBondContact O-N 2.89Å |
| 210 | H | 95.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 6.6 | 179.9 | -64.3 | 80.2 | 0 | 0 | 0 | 113.7 | V83 L206 Y207 A208 L212 | V83-H210 HydrophobicContact CG1-CB 4.1Å; L206-H210 PolarHBondContact O-N 2.93Å; L206-H210 PolarHBondContact O-ND1 3.47Å; Y207-H210 PolarHBondContact O-N 3.26Å; A208-H210 PolarHBondContact O-N 3.22Å; H210-L212 VanDerWaalsContact C-N 3.3Å; H210-L212 HydrophobicContact CB-CD1 3.78Å; H210-L212 HydrophobicContact CB-CG 3.8Å; H210-L212 PolarHBondContact O-N 3.28Å |
| 211 | S | 95.1 | Very high | 95.6 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 69% | 0.685 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 42.1 | -176.3 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | M94 Y207 A208 | M94-S211 WeakPolarHBondContact CE-O 3.42Å; Y207-S211 PolarHBondContact O-N 3.15Å; A208-S211 PolarHBondContact O-N 2.79Å |
| 212 | L | 94.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | trans | -106.3 | 10.4 | -177.2 | -63.9 | 178.9 | 0 | 0 | 0 | 113.4 | V83 V87 V92 M94 C107 L111 Y207 H210 D214 | V83-L212 HydrophobicContact CG1-CD1 3.9Å; V83-L212 HydrophobicContact CG2-CD1 4.21Å; V87-L212 HydrophobicContact CG2-CD1 4.24Å; V92-L212 HydrophobicContact CG1-CD2 3.92Å; M94-L212 HydrophobicContact CE-CD2 3.73Å; M94-L212 HydrophobicContact SD-CD2 3.41Å; M94-L212 WeakPolarHBondContact SD-CD2 3.47Å; C107-L212 HydrophobicContact CB-CD1 4.33Å; L111-L212 VanDerWaalsContact CD2-O 3.25Å; L111-L212 WeakPolarHBondContact CD2-O 3.17Å; Y207-L212 HydrophobicContact CD1-CB 3.48Å; Y207-L212 VanDerWaalsContact CD1-CB 3.48Å; Y207-L212 HydrophobicContact CD1-CD1 4.45Å; Y207-L212 WeakPolarHBondContact CD1-O 3.33Å; Y207-L212 HydrophobicContact CE1-CB 4.09Å; Y207-L212 HydrophobicContact CG-CB 4.2Å; Y207-L212 PolarHBondContact O-N 3.14Å; H210-L212 VanDerWaalsContact C-N 3.3Å; H210-L212 HydrophobicContact CB-CD1 3.78Å; H210-L212 HydrophobicContact CB-CG 3.8Å; H210-L212 PolarHBondContact O-N 3.28Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.81Å | ||
| 213 | L | 93.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | trans | -79.5 | -11.3 | -173.4 | -76.3 | 177.2 | 0 | 0 | 0 | 115 | R115 A208 | R115-L213 PolarHBondContact NH2-O 2.98Å; A208-L213 HydrophobicContact CB-CD1 3.7Å; A208-L213 HydrophobicContact CB-CG 4.41Å | ||
| 214 | D | 83.7 | Confident | 95.3 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 80% | 0.802 | 36% | 0.363 | S | S | * | . | trans | -103.6 | 0 | -177.8 | -67.9 | -43.9 | 0 | 0 | 0 | 112.3 | H96 R115 L212 | H96-D214 PolarHBondContact CE1-O 3.04Å; H96-D214 PolarHBondContact NE2-O 3.17Å; R115-D214 PolarHBondContact NH2-OXT 3.26Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.81Å |
Retrieved 214 of 214 residues in 115 ms
(Link to these results)