| 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 | 60.2 | Low | 89.5 | Confident | 177 Ų | 177 | 55.1 Ų | 55.1 | 87% | 0.872 | 27% | 0.274 | S | S | * | . | 0 | 123.3 | 0 | -160.1 | -168.4 | -100.6 | 0 | 0 | 106.2 | R9 | M1-R9 PolarHBondContact SD-NH2 3.49Š| |||
| 2 | S | 86.2 | Confident | 90 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | trans | -72 | 148.6 | -176.6 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | Q4 G5 A6 | S2-Q4 PolarHBondContact O-N 3.19Å; S2-G5 PolarHBondContact O-N 3.36Å; S2-G5 VanDerWaalsContact O-N 3.15Å; S2-G5 PolarHBondContact OG-N 3.02Å; S2-A6 PolarHBondContact O-N 2.92Å | ||
| 3 | L | 89.3 | Confident | 90.4 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 179.1 | 178.6 | 58.6 | 0 | 0 | 0 | 112 | G5 A6 V7 V101 L104 Y105 L112 L127 | L3-G5 VanDerWaalsContact C-N 3.31Å; L3-G5 PolarHBondContact O-N 3.1Å; L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; L3-A6 VanDerWaalsContact O-N 3.07Å; L3-V7 HydrophobicContact CD1-CG2 4.43Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 2.76Å; L3-V101 HydrophobicContact CD1-CG1 4.45Å; L3-L104 HydrophobicContact CD1-CB 4.06Å; L3-Y105 HydrophobicContact CD2-CD2 4.03Å; L3-L112 HydrophobicContact CD2-CD2 4.47Å; L3-L127 HydrophobicContact CD2-CD1 4.33Å; L3-L127 HydrophobicContact CD2-CD2 3.56Å; L3-L127 HydrophobicContact CG-CD1 4.27Å; L3-L127 HydrophobicContact CG-CD2 4.33Å |
| 4 | Q | 88.8 | Confident | 90.9 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.1 | -42.6 | 173.7 | -88.1 | -178.3 | -24.2 | 0 | 0 | 112.5 | S2 A6 V7 R8 | S2-Q4 PolarHBondContact O-N 3.19Å; Q4-A6 VanDerWaalsContact C-N 3.28Å; Q4-A6 PolarHBondContact O-N 3.08Å; Q4-V7 PolarHBondContact O-N 3.17Å; Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.18Å |
| 5 | G | 90.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2 L3 R9 | S2-G5 PolarHBondContact O-N 3.36Å; S2-G5 VanDerWaalsContact O-N 3.15Å; S2-G5 PolarHBondContact OG-N 3.02Å; L3-G5 VanDerWaalsContact C-N 3.31Å; L3-G5 PolarHBondContact O-N 3.1Å; G5-R9 VanDerWaalsContact O-CZ 3.27Å; G5-R9 PolarHBondContact O-N 3.39Å; G5-R9 VanDerWaalsContact O-N 3.15Å; G5-R9 PolarHBondContact O-NH2 3.25Å |
| 6 | A | 93.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2 L3 Q4 R8 R9 S10 V101 L104 | S2-A6 PolarHBondContact O-N 2.92Å; L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; L3-A6 VanDerWaalsContact O-N 3.07Å; Q4-A6 VanDerWaalsContact C-N 3.28Å; Q4-A6 PolarHBondContact O-N 3.08Å; A6-R8 VanDerWaalsContact C-N 3.35Å; A6-R8 PolarHBondContact O-N 2.98Å; A6-R9 VanDerWaalsContact N-NH2 3.19Å; A6-R9 PolarHBondContact O-N 3.28Å; A6-S10 PolarHBondContact O-N 2.85Å; A6-S10 PolarHBondContact O-OG 2.86Å; A6-V101 HydrophobicContact CB-CG2 3.97Å; A6-L104 HydrophobicContact CB-CD1 3.59Å |
| 7 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L3 Q4 R9 S10 F11 V101 L127 M130 L131 F192 | L3-V7 HydrophobicContact CD1-CG2 4.43Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 2.76Å; Q4-V7 PolarHBondContact O-N 3.17Å; V7-R9 PolarHBondContact O-N 3.12Å; V7-S10 PolarHBondContact O-N 3.28Å; V7-S10 VanDerWaalsContact O-N 3.15Å; V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.73Å; V7-F11 WeakPolarHBondContact O-CD2 3.34Å; V7-F11 PolarHBondContact O-N 3.28Å; V7-V101 HydrophobicContact CG2-CG1 3.63Å; V7-L127 HydrophobicContact CG2-CD1 3.72Å; V7-M130 HydrophobicContact CG1-CB 3.94Å; V7-M130 HydrophobicContact CG1-CE 4.36Å; V7-M130 HydrophobicContact CG1-CG 4.41Å; V7-M130 HydrophobicContact CG1-SD 3.81Å; V7-L131 HydrophobicContact CG2-CD2 4.21Å; V7-F192 HydrophobicContact CG1-CE1 4.27Å; V7-F192 HydrophobicContact CG1-CZ 4.42Å |
| 8 | R | 94.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 177.7 | -165.3 | 177.3 | 72.5 | -166.6 | 0.6 | 111.7 | Q4 A6 S10 F11 M12 F192 L193 A195 Q196 | Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.18Å; A6-R8 VanDerWaalsContact C-N 3.35Å; A6-R8 PolarHBondContact O-N 2.98Å; R8-S10 VanDerWaalsContact C-N 3.31Å; R8-S10 PolarHBondContact O-N 2.95Å; R8-F11 PolarHBondContact O-N 2.89Å; R8-M12 WeakPolarHBondContact O-CG 3.16Å; R8-M12 PolarHBondContact O-N 3.29Å; R8-F192 HydrophobicContact CB-CE1 3.8Å; R8-F192 HydrophobicContact CB-CZ 4.01Å; R8-F192 HydrophobicContact CG-CE1 4.07Å; R8-L193 HydrophobicContact CG-CD2 4.03Å; R8-A195 PolarHBondContact NH1-O 3.24Å; R8-Q196 PolarHBondContact NH1-OXT 3.22Å |
| 9 | R | 94.1 | Very high | 92.3 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 39% | 0.389 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 177 | -79.2 | -170.2 | -64.1 | -78.5 | -21.1 | 112.6 | M1 G5 A6 V7 F11 M12 A13 | M1-R9 PolarHBondContact SD-NH2 3.49Å; G5-R9 VanDerWaalsContact O-CZ 3.27Å; G5-R9 PolarHBondContact O-N 3.39Å; G5-R9 VanDerWaalsContact O-N 3.15Å; G5-R9 PolarHBondContact O-NH2 3.25Å; A6-R9 VanDerWaalsContact N-NH2 3.19Å; A6-R9 PolarHBondContact O-N 3.28Å; V7-R9 PolarHBondContact O-N 3.12Å; R9-F11 VanDerWaalsContact C-N 3.34Å; R9-M12 PolarHBondContact O-N 3.01Å; R9-A13 WeakPolarHBondContact O-CB 3.26Å; R9-A13 PolarHBondContact O-N 3.28Å |
| 10 | S | 96.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 178.2 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | A6 V7 R8 L14 H97 V101 | A6-S10 PolarHBondContact O-N 2.85Å; A6-S10 PolarHBondContact O-OG 2.86Å; V7-S10 PolarHBondContact O-N 3.28Å; V7-S10 VanDerWaalsContact O-N 3.15Å; R8-S10 VanDerWaalsContact C-N 3.31Å; R8-S10 PolarHBondContact O-N 2.95Å; S10-L14 VanDerWaalsContact O-CB 3.27Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 2.9Å; S10-H97 PolarHBondContact OG-O 3.33Å; S10-V101 WeakPolarHBondContact OG-CG2 3.5Å |
| 11 | F | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 174 | -82.2 | -69.7 | 0 | 0 | 0 | 113.6 | V7 R8 R9 A13 L14 Q15 M130 W133 L134 L186 L189 L193 | V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.73Å; V7-F11 WeakPolarHBondContact O-CD2 3.34Å; V7-F11 PolarHBondContact O-N 3.28Å; R8-F11 PolarHBondContact O-N 2.89Å; R9-F11 VanDerWaalsContact C-N 3.34Å; F11-A13 VanDerWaalsContact C-N 3.35Å; F11-L14 HydrophobicContact CD1-CD2 3.98Å; F11-L14 HydrophobicContact CE1-CD2 4.2Å; F11-L14 WeakPolarHBondContact O-CB 3.48Å; F11-L14 PolarHBondContact O-N 3.37Å; F11-Q15 PolarHBondContact O-N 3.26Å; F11-M130 HydrophobicContact CE2-CB 3.85Å; F11-M130 HydrophobicContact CE2-CG 4.01Å; F11-M130 HydrophobicContact CE2-SD 4.43Å; F11-M130 HydrophobicContact CZ-CB 4.29Å; F11-M130 HydrophobicContact CZ-CG 4.48Å; F11-M130 VanDerWaalsContact CZ-O 3.3Å; F11-M130 WeakPolarHBondContact CZ-O 3.32Å; F11-W133 HydrophobicContact CE1-CB 4.42Å; F11-W133 HydrophobicContact CZ-CB 4.19Å; F11-L134 HydrophobicContact CD1-CD2 3.88Å; F11-L134 HydrophobicContact CD2-CD1 4.41Å; F11-L134 HydrophobicContact CD2-CD2 4.14Å; F11-L134 HydrophobicContact CD2-CG 4.27Å; F11-L134 HydrophobicContact CE1-CD2 3.74Å; F11-L134 HydrophobicContact CE1-CG 3.99Å; F11-L134 HydrophobicContact CE2-CD1 4Å; F11-L134 HydrophobicContact CE2-CD2 4.01Å; F11-L134 HydrophobicContact CE2-CG 3.7Å; F11-L134 HydrophobicContact CG-CD2 4.08Å; F11-L134 HydrophobicContact CZ-CD1 4.35Å; F11-L134 HydrophobicContact CZ-CD2 3.82Å; F11-L134 HydrophobicContact CZ-CG 3.55Å; F11-L186 HydrophobicContact CD1-CD2 3.99Å; F11-L189 HydrophobicContact CB-CD1 4.48Å; F11-L189 HydrophobicContact CD1-CD1 3.37Å; F11-L189 HydrophobicContact CD2-CD1 3.73Å; F11-L189 HydrophobicContact CE1-CD1 3.27Å; F11-L189 HydrophobicContact CE2-CD1 3.62Å; F11-L189 HydrophobicContact CG-CD1 3.6Å; F11-L189 HydrophobicContact CZ-CD1 3.38Å; F11-L193 HydrophobicContact CB-CD2 3.74Å |
| 12 | M | 95 | Very high | 94.6 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 171.4 | -67.2 | 176.2 | 72 | 0 | 0 | 110.6 | R8 R9 L14 Q15 D16 L193 | R8-M12 WeakPolarHBondContact O-CG 3.16Å; R8-M12 PolarHBondContact O-N 3.29Å; R9-M12 PolarHBondContact O-N 3.01Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.32Å; M12-Q15 WeakPolarHBondContact O-CB 3.24Å; M12-Q15 PolarHBondContact O-N 2.93Å; M12-D16 PolarHBondContact O-N 3.32Å; M12-L193 HydrophobicContact CG-CD2 4.03Å |
| 13 | A | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R9 F11 Q15 D16 Q17 H97 | R9-A13 WeakPolarHBondContact O-CB 3.26Å; R9-A13 PolarHBondContact O-N 3.28Å; F11-A13 VanDerWaalsContact C-N 3.35Å; A13-Q15 VanDerWaalsContact C-N 3.3Å; A13-Q15 PolarHBondContact O-N 3.42Å; A13-D16 PolarHBondContact O-N 2.93Å; A13-Q17 WeakPolarHBondContact O-CB 3.34Å; A13-Q17 VanDerWaalsContact O-CG 3.24Å; A13-Q17 WeakPolarHBondContact O-CG 3.37Å; A13-Q17 PolarHBondContact O-N 3.41Å; A13-H97 WeakPolarHBondContact CB-NE2 3.4Å |
| 14 | L | 96.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 176.4 | 176.2 | 61.5 | 0 | 0 | 0 | 112.4 | S10 F11 M12 R18 V94 L134 A137 Y141 L186 | S10-L14 VanDerWaalsContact O-CB 3.27Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 2.9Å; F11-L14 HydrophobicContact CD1-CD2 3.98Å; F11-L14 HydrophobicContact CE1-CD2 4.2Å; F11-L14 WeakPolarHBondContact O-CB 3.48Å; F11-L14 PolarHBondContact O-N 3.37Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.32Å; L14-R18 VanDerWaalsContact O-CB 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.5Å; L14-R18 PolarHBondContact O-N 2.89Å; L14-V94 HydrophobicContact CD1-CG1 4.24Å; L14-V94 HydrophobicContact CD1-CG2 4.24Å; L14-L134 HydrophobicContact CD2-CD2 4.21Å; L14-A137 HydrophobicContact CD1-CB 3.85Å; L14-A137 HydrophobicContact CD2-CB 3.73Å; L14-A137 HydrophobicContact CG-CB 4.48Å; L14-Y141 HydrophobicContact CD1-CD2 4.49Å; L14-Y141 HydrophobicContact CD1-CE2 3.65Å; L14-L186 HydrophobicContact CD2-CD2 4.4Å |
| 15 | Q | 96 | Very high | 96 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | -176.8 | 176.5 | 3.3 | 0 | 0 | 111.5 | F11 M12 A13 R18 A19 L186 | F11-Q15 PolarHBondContact O-N 3.26Å; M12-Q15 WeakPolarHBondContact O-CB 3.24Å; M12-Q15 PolarHBondContact O-N 2.93Å; A13-Q15 VanDerWaalsContact C-N 3.3Å; A13-Q15 PolarHBondContact O-N 3.42Å; Q15-R18 PolarHBondContact O-N 3.3Å; Q15-A19 PolarHBondContact O-N 3.38Å; Q15-L186 HydrophobicContact CB-CD2 4.43Å |
| 16 | D | 96 | Very high | 96.3 | Very high | 109 Ų | 109 | 46.4 Ų | 46.4 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65 | -46.3 | 177.6 | -66.3 | -24.3 | 0 | 0 | 0 | 111.5 | M12 A13 R18 A19 A20 | M12-D16 PolarHBondContact O-N 3.32Å; A13-D16 PolarHBondContact O-N 2.93Å; D16-R18 VanDerWaalsContact C-N 3.27Å; D16-R18 PolarHBondContact O-N 2.75Å; D16-A19 PolarHBondContact O-N 3.48Å; D16-A20 PolarHBondContact O-N 3.41Å |
| 17 | Q | 97.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 49 Ų | 49 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 177.9 | -71.4 | -38.5 | -46.1 | 0 | 0 | 111.9 | A13 A20 W21 I90 S93 V94 | A13-Q17 WeakPolarHBondContact O-CB 3.34Å; A13-Q17 VanDerWaalsContact O-CG 3.24Å; A13-Q17 WeakPolarHBondContact O-CG 3.37Å; A13-Q17 PolarHBondContact O-N 3.41Å; Q17-A20 PolarHBondContact O-N 3.35Å; Q17-W21 WeakPolarHBondContact O-CB 3.43Å; Q17-W21 PolarHBondContact O-N 2.93Å; Q17-I90 HydrophobicContact CB-CG2 3.91Å; Q17-I90 HydrophobicContact CG-CG2 4.43Å; Q17-I90 WeakPolarHBondContact O-CG2 3.44Å; Q17-S93 PolarHBondContact NE2-OG 3Å; Q17-V94 HydrophobicContact CB-CG2 3.74Å; Q17-V94 HydrophobicContact CG-CG2 3.88Å |
| 18 | R | 96 | Very high | 96.7 | Very high | 40 Ų | 40 | 49 Ų | 49 | 15% | 0.151 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 175.3 | -178.9 | 176.7 | 165.7 | -131.8 | -6.4 | 112.2 | L14 Q15 D16 A20 W21 R22 Y141 E179 T183 | L14-R18 VanDerWaalsContact O-CB 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.5Å; L14-R18 PolarHBondContact O-N 2.89Å; Q15-R18 PolarHBondContact O-N 3.3Å; D16-R18 VanDerWaalsContact C-N 3.27Å; D16-R18 PolarHBondContact O-N 2.75Å; R18-A20 VanDerWaalsContact C-N 3.33Å; R18-W21 WeakPolarHBondContact O-CB 3.43Å; R18-W21 PolarHBondContact O-N 3.48Å; R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.19Å; R18-R22 VanDerWaalsContact O-N 3.07Å; R18-Y141 VanDerWaalsContact CA-OH 3.3Å; R18-Y141 WeakPolarHBondContact CA-OH 3.28Å; R18-Y141 WeakPolarHBondContact CB-OH 3.3Å; R18-Y141 WeakPolarHBondContact CG-OH 3.36Å; R18-E179 IonicContact NE-OE1 2.97Å; R18-E179 IonicContact NH2-OE1 2.78Å; R18-T183 PolarHBondContact NH1-OG1 3Å; R18-T183 PolarHBondContact NH2-OG1 3.43Å |
| 19 | A | 96.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 51% | 0.512 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q15 D16 W21 R22 S23 | Q15-A19 PolarHBondContact O-N 3.38Å; D16-A19 PolarHBondContact O-N 3.48Å; A19-W21 VanDerWaalsContact C-N 3.34Å; A19-W21 PolarHBondContact O-N 3.36Å; A19-R22 PolarHBondContact O-N 3Å; A19-S23 PolarHBondContact O-N 3.19Å |
| 20 | A | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D16 Q17 R18 S23 V24 I90 | D16-A20 PolarHBondContact O-N 3.41Å; Q17-A20 PolarHBondContact O-N 3.35Å; R18-A20 VanDerWaalsContact C-N 3.33Å; A20-S23 WeakPolarHBondContact O-CB 3.38Å; A20-S23 PolarHBondContact O-N 2.97Å; A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 3.33Å; A20-I90 HydrophobicContact CB-CD1 3.88Å; A20-I90 HydrophobicContact CB-CG1 4.38Å |
| 21 | W | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 177.9 | -179 | -86.6 | 0 | 0 | 0 | 111.6 | Q17 R18 A19 S23 V24 L25 L87 I90 Y141 Q144 F145 | Q17-W21 WeakPolarHBondContact O-CB 3.43Å; Q17-W21 PolarHBondContact O-N 2.93Å; R18-W21 WeakPolarHBondContact O-CB 3.43Å; R18-W21 PolarHBondContact O-N 3.48Å; A19-W21 VanDerWaalsContact C-N 3.34Å; A19-W21 PolarHBondContact O-N 3.36Å; W21-S23 VanDerWaalsContact C-N 3.31Å; W21-S23 PolarHBondContact O-N 3.41Å; W21-V24 PolarHBondContact O-N 3.08Å; W21-L25 VanDerWaalsContact NE1-CD1 3.26Å; W21-L25 WeakPolarHBondContact O-CG 3.41Å; W21-L25 PolarHBondContact O-N 3.03Å; W21-L87 HydrophobicContact CD2-CD2 3.71Å; W21-L87 HydrophobicContact CE3-CB 4.35Å; W21-L87 HydrophobicContact CE3-CD2 3.59Å; W21-L87 HydrophobicContact CG-CD2 4.32Å; W21-L87 HydrophobicContact CH2-CB 4.16Å; W21-L87 HydrophobicContact CH2-CD2 4.12Å; W21-L87 HydrophobicContact CH2-CG 4.5Å; W21-L87 HydrophobicContact CZ2-CD2 4.22Å; W21-L87 HydrophobicContact CZ3-CB 3.82Å; W21-L87 HydrophobicContact CZ3-CD2 3.82Å; W21-L87 HydrophobicContact CZ3-CG 4.34Å; W21-L87 WeakPolarHBondContact CZ3-O 3.37Å; W21-I90 HydrophobicContact CB-CD1 4.45Å; W21-I90 HydrophobicContact CB-CG2 4.24Å; W21-I90 HydrophobicContact CE3-CB 4.22Å; W21-I90 HydrophobicContact CE3-CG2 3.9Å; W21-Y141 HydrophobicContact CB-CE1 3.91Å; W21-Y141 AromaticContact CD2-CD1 3.56Å; W21-Y141 HydrophobicContact CD2-CD1 3.56Å; W21-Y141 AromaticContact CD2-CE1 3.7Å; W21-Y141 HydrophobicContact CD2-CE1 3.7Å; W21-Y141 AromaticContact CE2-CD1 3.95Å; W21-Y141 AromaticContact CE3-CD1 3.58Å; W21-Y141 HydrophobicContact CE3-CD1 3.58Å; W21-Y141 HydrophobicContact CE3-CE1 4.08Å; W21-Y141 HydrophobicContact CG-CD1 4.01Å; W21-Y141 AromaticContact CG-CE1 3.6Å; W21-Y141 HydrophobicContact CG-CE1 3.6Å; W21-Y141 HydrophobicContact CH2-CD1 4.39Å; W21-Y141 HydrophobicContact CZ2-CD1 4.38Å; W21-Y141 HydrophobicContact CZ3-CD1 4Å; W21-Q144 HydrophobicContact CH2-CB 4.23Å; W21-Q144 HydrophobicContact CZ2-CB 3.71Å; W21-F145 HydrophobicContact CH2-CB 3.96Å |
| 22 | R | 96.9 | Very high | 97.1 | Very high | 142 Ų | 142 | 48 Ų | 48 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 178.1 | -68.3 | -179.4 | 74.6 | 170.7 | 3.4 | 112 | R18 A19 V24 L25 G26 E179 | R18-R22 WeakPolarHBondContact O-CG 3.46Å; R18-R22 PolarHBondContact O-N 3.19Å; R18-R22 VanDerWaalsContact O-N 3.07Å; A19-R22 PolarHBondContact O-N 3Å; R22-V24 PolarHBondContact O-N 3.01Å; R22-L25 PolarHBondContact O-N 2.89Å; R22-G26 PolarHBondContact O-N 3.44Å; R22-E179 WeakPolarHBondContact CD-OE1 3.27Å; R22-E179 IonicContact CZ-OE1 3.34Å; R22-E179 IonicContact NE-OE1 2.79Å; R22-E179 PolarHBondContact NE-OE1 3.46Å |
| 23 | S | 97.9 | Very high | 97.3 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | A19 A20 W21 G26 E27 | A19-S23 PolarHBondContact O-N 3.19Å; A20-S23 WeakPolarHBondContact O-CB 3.38Å; A20-S23 PolarHBondContact O-N 2.97Å; W21-S23 VanDerWaalsContact C-N 3.31Å; W21-S23 PolarHBondContact O-N 3.41Å; S23-G26 PolarHBondContact O-N 3.25Å; S23-E27 PolarHBondContact O-N 3.43Å; S23-E27 VanDerWaalsContact O-N 3.15Å |
| 24 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | A20 W21 R22 E27 C28 R83 R86 L87 I90 | A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 3.33Å; W21-V24 PolarHBondContact O-N 3.08Å; R22-V24 PolarHBondContact O-N 3.01Å; V24-E27 WeakPolarHBondContact O-CB 2.91Å; V24-E27 PolarHBondContact O-N 3.29Å; V24-C28 PolarHBondContact O-N 3.26Å; V24-C28 VanDerWaalsContact O-N 3.16Å; V24-C28 PolarHBondContact O-SG 3.18Å; V24-C28 VanDerWaalsContact O-SG 3.39Å; V24-R83 HydrophobicContact CG1-CB 4.06Å; V24-R86 HydrophobicContact CG1-CB 4.34Å; V24-R86 HydrophobicContact CG2-CB 4.15Å; V24-L87 HydrophobicContact CB-CD2 3.71Å; V24-L87 HydrophobicContact CB-CG 4.32Å; V24-L87 HydrophobicContact CG1-CD1 4.36Å; V24-L87 HydrophobicContact CG1-CD2 3.57Å; V24-L87 HydrophobicContact CG1-CG 3.62Å; V24-I90 HydrophobicContact CG2-CD1 4.13Å |
| 25 | L | 97.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.1 | -70.1 | -171.5 | 0 | 0 | 0 | 112 | W21 R22 E27 C28 D29 L87 W170 | W21-L25 VanDerWaalsContact NE1-CD1 3.26Å; W21-L25 WeakPolarHBondContact O-CG 3.41Å; W21-L25 PolarHBondContact O-N 3.03Å; R22-L25 PolarHBondContact O-N 2.89Å; L25-E27 PolarHBondContact O-N 3.11Å; L25-C28 WeakPolarHBondContact O-CA 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.47Å; L25-C28 PolarHBondContact O-N 3.29Å; L25-D29 PolarHBondContact O-N 2.7Å; L25-D29 VanDerWaalsContact O-N 3.12Å; L25-L87 HydrophobicContact CD2-CD1 3.97Å; L25-L87 HydrophobicContact CD2-CD2 4.25Å; L25-W170 HydrophobicContact CD2-CH2 4.34Å; L25-W170 HydrophobicContact CD2-CZ2 3.66Å |
| 26 | G | 97.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -26.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R22 S23 P30 | R22-G26 PolarHBondContact O-N 3.44Å; S23-G26 PolarHBondContact O-N 3.25Å; G26-P30 WeakPolarHBondContact O-CD 3.26Å |
| 27 | E | 98.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76.1 | -27.5 | 170.8 | -66.6 | 178.4 | -128.8 | 0 | 0 | 113.1 | S23 V24 L25 R83 R86 | S23-E27 PolarHBondContact O-N 3.43Å; S23-E27 VanDerWaalsContact O-N 3.15Å; V24-E27 WeakPolarHBondContact O-CB 2.91Å; V24-E27 PolarHBondContact O-N 3.29Å; L25-E27 PolarHBondContact O-N 3.11Å; E27-R83 IonicContact OE2-CZ 3.43Å; E27-R83 VanDerWaalsContact OE2-CZ 3.26Å; E27-R83 IonicContact OE2-NE 3.89Å; E27-R83 PolarHBondContact OE2-NE 3.28Å; E27-R83 IonicContact OE2-NH2 3.9Å; E27-R83 PolarHBondContact OE2-NH2 2.66Å; E27-R86 IonicContact OE1-CZ 3.33Å; E27-R86 IonicContact OE1-NH1 3.72Å; E27-R86 PolarHBondContact OE1-NH1 3.39Å; E27-R86 IonicContact OE1-NH2 3.22Å; E27-R86 PolarHBondContact OE1-NH2 2.85Å; E27-R86 IonicContact OE2-CZ 2.66Å; E27-R86 IonicContact OE2-NH1 2.9Å; E27-R86 PolarHBondContact OE2-NH1 2.91Å |
| 28 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.7 | -36.4 | 179 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | V24 L25 L31 M32 L80 R83 W170 | V24-C28 PolarHBondContact O-N 3.26Å; V24-C28 VanDerWaalsContact O-N 3.16Å; V24-C28 PolarHBondContact O-SG 3.18Å; V24-C28 VanDerWaalsContact O-SG 3.39Å; L25-C28 WeakPolarHBondContact O-CA 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.47Å; L25-C28 PolarHBondContact O-N 3.29Å; C28-L31 WeakPolarHBondContact O-CB 3.41Å; C28-L31 PolarHBondContact O-N 3.22Å; C28-M32 WeakPolarHBondContact O-CG 3.5Å; C28-M32 PolarHBondContact O-N 2.9Å; C28-L80 HydrophobicContact CB-CD2 4.18Å; C28-R83 WeakPolarHBondContact SG-CB 3.33Å; C28-W170 HydrophobicContact CB-CH2 4.13Å; C28-W170 HydrophobicContact CB-CZ2 3.41Å; C28-W170 VanDerWaalsContact CB-CZ2 3.41Å |
| 29 | D | 96.9 | Very high | 97.6 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 33% | 0.326 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -53.4 | -52.5 | -176.7 | -64.3 | -18.5 | 0 | 0 | 0 | 113.4 | L25 L31 M32 E33 W170 | L25-D29 PolarHBondContact O-N 2.7Å; L25-D29 VanDerWaalsContact O-N 3.12Å; D29-L31 PolarHBondContact O-N 3.48Å; D29-M32 WeakPolarHBondContact O-CB 3.49Å; D29-M32 PolarHBondContact O-N 2.97Å; D29-M32 VanDerWaalsContact O-N 3.12Å; D29-E33 WeakPolarHBondContact O-CG 3.4Å; D29-E33 PolarHBondContact O-N 3.05Å; D29-W170 VanDerWaalsContact OD1-CD1 3.29Å; D29-W170 PolarHBondContact OD1-NE1 3.02Å |
| 30 | P | 98 | Very high | 97.6 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -27 | 177.9 | 25.7 | -35.3 | 0 | 0 | 0 | 113.4 | G26 S34 | G26-P30 WeakPolarHBondContact O-CD 3.26Å; P30-S34 WeakPolarHBondContact O-CB 3.14Å; P30-S34 PolarHBondContact O-N 2.97Å; P30-S34 PolarHBondContact O-OG 3.48Å |
| 31 | L | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -39.8 | 174.7 | -60.5 | 176.5 | 0 | 0 | 0 | 110.9 | C28 D29 S34 L35 L76 R79 L80 R83 | C28-L31 WeakPolarHBondContact O-CB 3.41Å; C28-L31 PolarHBondContact O-N 3.22Å; D29-L31 PolarHBondContact O-N 3.48Å; L31-S34 PolarHBondContact O-N 2.96Å; L31-L35 PolarHBondContact O-N 3.28Å; L31-L76 HydrophobicContact CD2-CD2 3.88Å; L31-R79 HydrophobicContact CD1-CB 4.02Å; L31-L80 HydrophobicContact CB-CD1 4.43Å; L31-L80 HydrophobicContact CB-CD2 3.76Å; L31-L80 HydrophobicContact CB-CG 3.98Å; L31-L80 HydrophobicContact CD1-CD2 3.95Å; L31-L80 HydrophobicContact CD1-CG 4.14Å; L31-R83 HydrophobicContact CD1-CG 4.46Å |
| 32 | M | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 175.4 | -71 | -70 | 178.8 | 0 | 0 | 112 | C28 D29 S34 L35 G36 L80 L152 A166 A167 W170 | C28-M32 WeakPolarHBondContact O-CG 3.5Å; C28-M32 PolarHBondContact O-N 2.9Å; D29-M32 WeakPolarHBondContact O-CB 3.49Å; D29-M32 PolarHBondContact O-N 2.97Å; D29-M32 VanDerWaalsContact O-N 3.12Å; M32-S34 VanDerWaalsContact C-N 3.32Å; M32-S34 PolarHBondContact O-N 3.32Å; M32-L35 WeakPolarHBondContact O-CB 3.37Å; M32-L35 PolarHBondContact O-N 3.38Å; M32-G36 PolarHBondContact O-N 3.47Å; M32-L80 HydrophobicContact CE-CD1 3.89Å; M32-L80 HydrophobicContact CE-CD2 3.73Å; M32-L80 HydrophobicContact CE-CG 4.39Å; M32-L80 HydrophobicContact CG-CD2 4.35Å; M32-L80 HydrophobicContact SD-CD1 4.09Å; M32-L80 HydrophobicContact SD-CD2 4.48Å; M32-L152 HydrophobicContact CE-CD2 3.47Å; M32-L152 VanDerWaalsContact CE-CD2 3.47Å; M32-L152 HydrophobicContact CE-CG 4.21Å; M32-A166 HydrophobicContact SD-CB 4.37Å; M32-A167 HydrophobicContact CB-CB 4.22Å; M32-W170 HydrophobicContact CB-CB 4.48Å; M32-W170 HydrophobicContact CE-CB 4.42Å; M32-W170 HydrophobicContact CE-CD2 3.67Å; M32-W170 HydrophobicContact CE-CE3 3.22Å; M32-W170 HydrophobicContact CE-CG 4.2Å; M32-W170 HydrophobicContact CE-CH2 4.33Å; M32-W170 HydrophobicContact CE-CZ3 3.58Å; M32-W170 HydrophobicContact CG-CB 3.96Å; M32-W170 HydrophobicContact CG-CD2 4.04Å; M32-W170 HydrophobicContact CG-CG 3.77Å; M32-W170 HydrophobicContact SD-CB 4.16Å; M32-W170 HydrophobicContact SD-CD2 4.42Å; M32-W170 HydrophobicContact SD-CE3 4.38Å; M32-W170 HydrophobicContact SD-CG 4.35Å |
| 33 | E | 98.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 172.9 | -66.6 | -59.2 | 157.4 | 0 | 0 | 111.3 | D29 L35 G36 N37 R171 | D29-E33 WeakPolarHBondContact O-CG 3.4Å; D29-E33 PolarHBondContact O-N 3.05Å; E33-L35 VanDerWaalsContact C-N 3.27Å; E33-L35 PolarHBondContact O-N 3.19Å; E33-G36 PolarHBondContact O-N 3.48Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.15Å; E33-N37 PolarHBondContact O-ND2 2.94Å; E33-R171 IonicContact OE1-CZ 3.02Å; E33-R171 IonicContact OE1-NE 2.69Å; E33-R171 PolarHBondContact OE1-NE 3.21Å; E33-R171 IonicContact OE1-NH2 3.71Å; E33-R171 PolarHBondContact OE1-NH2 3.34Å; E33-R171 IonicContact OE2-NH2 3.26Å |
| 34 | S | 98.1 | Very high | 97 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | P30 L31 M32 N37 L38 | P30-S34 WeakPolarHBondContact O-CB 3.14Å; P30-S34 PolarHBondContact O-N 2.97Å; P30-S34 PolarHBondContact O-OG 3.48Å; L31-S34 PolarHBondContact O-N 2.96Å; M32-S34 VanDerWaalsContact C-N 3.32Å; M32-S34 PolarHBondContact O-N 3.32Å; S34-N37 PolarHBondContact O-N 3.34Å; S34-L38 WeakPolarHBondContact O-CG 3.33Å; S34-L38 PolarHBondContact O-N 3.04Å |
| 35 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 176 | -162.2 | 69.4 | 0 | 0 | 0 | 111.8 | L31 M32 E33 N37 L38 G39 V73 L76 L77 L155 L163 A166 | L31-L35 PolarHBondContact O-N 3.28Å; M32-L35 WeakPolarHBondContact O-CB 3.37Å; M32-L35 PolarHBondContact O-N 3.38Å; E33-L35 VanDerWaalsContact C-N 3.27Å; E33-L35 PolarHBondContact O-N 3.19Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 3.23Å; L35-L38 PolarHBondContact O-N 3.05Å; L35-G39 PolarHBondContact O-N 3.36Å; L35-V73 HydrophobicContact CD1-CB 4.47Å; L35-V73 HydrophobicContact CD1-CG1 4.01Å; L35-V73 HydrophobicContact CD1-CG2 4.37Å; L35-L76 HydrophobicContact CB-CD1 4.44Å; L35-L76 HydrophobicContact CD1-CB 4.2Å; L35-L76 HydrophobicContact CD1-CD1 4.29Å; L35-L77 HydrophobicContact CD1-CD2 4.41Å; L35-L77 HydrophobicContact CD1-CG 4.46Å; L35-L77 HydrophobicContact CD2-CD2 3.99Å; L35-L155 HydrophobicContact CD2-CD1 3.75Å; L35-L163 HydrophobicContact CD1-CD2 3.76Å; L35-L163 HydrophobicContact CD2-CD2 3.8Å; L35-L163 HydrophobicContact CG-CD2 3.64Å; L35-A166 HydrophobicContact CD2-CB 3.93Å |
| 36 | G | 96.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M32 E33 L38 G39 Q40 L163 | M32-G36 PolarHBondContact O-N 3.47Å; E33-G36 PolarHBondContact O-N 3.48Å; G36-L38 VanDerWaalsContact C-N 3.34Å; G36-L38 PolarHBondContact O-N 2.96Å; G36-G39 PolarHBondContact O-N 3.21Å; G36-Q40 PolarHBondContact O-N 3.12Å; G36-Q40 VanDerWaalsContact O-N 3.08Å; G36-L163 WeakPolarHBondContact CA-O 3.41Å; G36-L163 PolarHBondContact N-O 2.99Å |
| 37 | N | 97.5 | Very high | 96.1 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 177.4 | -68.5 | -25.4 | 0 | 0 | 0 | 112.3 | E33 S34 L35 Q40 Q41 | E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.15Å; E33-N37 PolarHBondContact O-ND2 2.94Å; S34-N37 PolarHBondContact O-N 3.34Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 3.23Å; N37-Q40 PolarHBondContact O-N 2.97Å; N37-Q41 WeakPolarHBondContact O-CG 3.49Å; N37-Q41 PolarHBondContact O-N 3.12Å |
| 38 | L | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.4 | -70.8 | 178.2 | 0 | 0 | 0 | 111.8 | S34 L35 G36 Q40 Q41 M42 L69 A72 V73 L76 | S34-L38 WeakPolarHBondContact O-CG 3.33Å; S34-L38 PolarHBondContact O-N 3.04Å; L35-L38 PolarHBondContact O-N 3.05Å; G36-L38 VanDerWaalsContact C-N 3.34Å; G36-L38 PolarHBondContact O-N 2.96Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 2.99Å; L38-Q41 PolarHBondContact O-N 3.49Å; L38-M42 VanDerWaalsContact O-CG 3.27Å; L38-M42 WeakPolarHBondContact O-CG 3.38Å; L38-M42 PolarHBondContact O-N 3.25Å; L38-L69 HydrophobicContact CD2-CD2 3.79Å; L38-A72 HydrophobicContact CD1-CB 3.7Å; L38-A72 HydrophobicContact CD2-CB 3.97Å; L38-V73 HydrophobicContact CB-CG2 3.96Å; L38-V73 HydrophobicContact CD1-CB 4.41Å; L38-V73 HydrophobicContact CD1-CG2 3.67Å; L38-V73 HydrophobicContact CG-CG2 4.46Å; L38-L76 HydrophobicContact CD1-CD1 3.59Å; L38-L76 HydrophobicContact CD1-CG 4.46Å; L38-L76 HydrophobicContact CG-CD1 4.46Å |
| 39 | G | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.2 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L35 G36 Q41 M42 K43 | L35-G39 PolarHBondContact O-N 3.36Å; G36-G39 PolarHBondContact O-N 3.21Å; G39-Q41 PolarHBondContact O-N 3.1Å; G39-M42 PolarHBondContact O-N 3.04Å; G39-K43 PolarHBondContact O-N 2.91Å |
| 40 | Q | 96.2 | Very high | 95 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.4 | -65.7 | 179.3 | -0.2 | 0 | 0 | 112.4 | G36 N37 L38 K43 A44 E164 | G36-Q40 PolarHBondContact O-N 3.12Å; G36-Q40 VanDerWaalsContact O-N 3.08Å; N37-Q40 PolarHBondContact O-N 2.97Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 2.99Å; Q40-K43 PolarHBondContact O-N 2.79Å; Q40-A44 WeakPolarHBondContact O-CB 3.22Å; Q40-A44 PolarHBondContact O-N 3.41Å; Q40-E164 HydrophobicContact CG-CG 3.95Å |
| 41 | Q | 95.9 | Very high | 94.6 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.5 | -72.4 | 175.5 | 45.9 | 0 | 0 | 111.6 | N37 L38 G39 K43 A44 L45 L69 | N37-Q41 WeakPolarHBondContact O-CG 3.49Å; N37-Q41 PolarHBondContact O-N 3.12Å; L38-Q41 PolarHBondContact O-N 3.49Å; G39-Q41 PolarHBondContact O-N 3.1Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 3.22Å; Q41-A44 PolarHBondContact O-N 3.01Å; Q41-L45 WeakPolarHBondContact O-CB 3.4Å; Q41-L45 PolarHBondContact O-N 3Å; Q41-L69 HydrophobicContact CB-CD1 4.29Å; Q41-L69 HydrophobicContact CB-CD2 3.82Å |
| 42 | M | 94.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.054 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 176 | -68.6 | 172.3 | 75.7 | 0 | 0 | 111.7 | L38 G39 S46 L69 L70 V73 R160 L163 | L38-M42 VanDerWaalsContact O-CG 3.27Å; L38-M42 WeakPolarHBondContact O-CG 3.38Å; L38-M42 PolarHBondContact O-N 3.25Å; G39-M42 PolarHBondContact O-N 3.04Å; M42-S46 PolarHBondContact O-N 3.28Å; M42-S46 VanDerWaalsContact O-N 3.11Å; M42-L69 HydrophobicContact CG-CB 3.98Å; M42-L69 HydrophobicContact CG-CD1 3.86Å; M42-L69 HydrophobicContact CG-CG 4.44Å; M42-L70 HydrophobicContact CE-CD2 3.7Å; M42-L70 HydrophobicContact CE-CG 4.48Å; M42-V73 HydrophobicContact SD-CG2 4.3Å; M42-R160 HydrophobicContact CB-CG 3.89Å; M42-R160 HydrophobicContact CE-CG 4.17Å; M42-L163 HydrophobicContact SD-CD1 3.85Å |
| 43 | K | 93.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 63.5 Ų | 63.5 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 174.7 | 179.8 | 175.9 | -179.4 | -178.9 | 0 | 111.9 | G39 Q40 Q41 S46 R47 E164 | G39-K43 PolarHBondContact O-N 2.91Å; Q40-K43 PolarHBondContact O-N 2.79Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 3.22Å; K43-S46 PolarHBondContact O-N 2.93Å; K43-S46 PolarHBondContact O-OG 3.31Å; K43-R47 VanDerWaalsContact CE-NH2 3.32Å; K43-R47 WeakPolarHBondContact O-CG 3.25Å; K43-R47 PolarHBondContact O-N 2.92Å; K43-E164 VanDerWaalsContact CB-OE1 3.26Å; K43-E164 WeakPolarHBondContact CB-OE1 3.37Å; K43-E164 WeakPolarHBondContact CD-OE1 3.49Å; K43-E164 IonicContact NZ-OE1 3.83Å; K43-E164 IonicContact NZ-OE2 3.14Å; K43-E164 PolarHBondContact NZ-OE2 2.82Å |
| 44 | A | 93.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q40 Q41 S46 R47 V48 | Q40-A44 WeakPolarHBondContact O-CB 3.22Å; Q40-A44 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.01Å; A44-S46 VanDerWaalsContact C-N 3.26Å; A44-S46 PolarHBondContact O-N 3.32Å; A44-R47 PolarHBondContact O-N 3.42Å; A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.28Å |
| 45 | L | 93.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.1 | -40.1 | 177.4 | -177.2 | 63.2 | 0 | 0 | 0 | 111.8 | Q41 R47 V48 Q62 L65 Q66 L69 | Q41-L45 WeakPolarHBondContact O-CB 3.4Å; Q41-L45 PolarHBondContact O-N 3Å; L45-R47 PolarHBondContact O-N 3.11Å; L45-V48 PolarHBondContact O-N 2.98Å; L45-Q62 HydrophobicContact CD1-CG 4.16Å; L45-Q62 HydrophobicContact CG-CG 4.37Å; L45-L65 HydrophobicContact CD1-CB 4.17Å; L45-L65 HydrophobicContact CD1-CD1 3.95Å; L45-L65 HydrophobicContact CD2-CB 3.78Å; L45-Q66 HydrophobicContact CD2-CB 3.97Å; L45-L69 HydrophobicContact CB-CD1 4.5Å; L45-L69 HydrophobicContact CD2-CD1 3.86Å |
| 46 | S | 90.7 | Very high | 93.2 | Very high | 53 Ų | 53 | 76.8 Ų | 76.8 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.8 | -18.5 | 178.7 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | M42 K43 A44 R160 | M42-S46 PolarHBondContact O-N 3.28Å; M42-S46 VanDerWaalsContact O-N 3.11Å; K43-S46 PolarHBondContact O-N 2.93Å; K43-S46 PolarHBondContact O-OG 3.31Å; A44-S46 VanDerWaalsContact C-N 3.26Å; A44-S46 PolarHBondContact O-N 3.32Å; S46-R160 PolarHBondContact OG-NH1 3.09Å |
| 47 | R | 92.2 | Very high | 93 | Very high | 187 Ų | 187 | 80.1 Ų | 80.1 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -92.4 | -18 | 178.9 | -70.1 | 173.6 | 174.5 | -170.6 | -5.2 | 112.5 | K43 A44 L45 | K43-R47 VanDerWaalsContact CE-NH2 3.32Å; K43-R47 WeakPolarHBondContact O-CG 3.25Å; K43-R47 PolarHBondContact O-N 2.92Å; A44-R47 PolarHBondContact O-N 3.42Å; L45-R47 PolarHBondContact O-N 3.11Å |
| 48 | V | 91.2 | Very high | 92.8 | Very high | 67 Ų | 67 | 82.3 Ų | 82.3 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | -84.1 | 130.9 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | A44 L45 V50 T53 | A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.28Å; L45-V48 PolarHBondContact O-N 2.98Å; V48-V50 HydrophobicContact CG1-CG2 4.1Å; V48-T53 HydrophobicContact CG1-CG2 4.31Å | ||
| 49 | R | 90.1 | Very high | 92.2 | Very high | 183 Ų | 183 | 86.8 Ų | 86.8 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | trans | -93.1 | 96.3 | 165.1 | -67.9 | -178.8 | 179.8 | 179.9 | 0.2 | 108.3 | S51 D52 | R49-S51 PolarHBondContact O-N 2.97Å; R49-D52 HydrophobicContact CB-CB 4.18Å; R49-D52 WeakPolarHBondContact CB-OD2 3.41Å; R49-D52 WeakPolarHBondContact CD-OD2 3.48Å; R49-D52 PolarHBondContact O-N 2.79Å | ||
| 50 | V | 88.5 | Confident | 92.1 | Very high | 13 Ų | 13 | 91.3 Ų | 91.3 | 8% | 0.079 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -58.8 | -32.5 | -175.6 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | V48 D52 T53 L55 L61 Q62 | V48-V50 HydrophobicContact CG1-CG2 4.1Å; V50-D52 PolarHBondContact O-N 2.78Å; V50-D52 VanDerWaalsContact O-N 3.17Å; V50-T53 PolarHBondContact O-N 3.02Å; V50-T53 VanDerWaalsContact O-N 3.1Å; V50-T53 PolarHBondContact O-OG1 2.69Å; V50-L55 HydrophobicContact CG1-CB 4.07Å; V50-L61 HydrophobicContact CG1-CD2 4.32Å; V50-Q62 HydrophobicContact CG2-CB 3.98Å; V50-Q62 HydrophobicContact CG2-CG 4.43Å |
| 51 | S | 88.1 | Confident | 91.9 | Very high | 80 Ų | 80 | 87.8 Ų | 87.8 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -53.5 | -30.7 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | R49 T53 R56 | R49-S51 PolarHBondContact O-N 2.97Å; S51-T53 VanDerWaalsContact C-N 3.31Å; S51-R56 WeakPolarHBondContact O-CB 3.48Å |
| 52 | D | 92 | Very high | 91.8 | Very high | 112 Ų | 112 | 86.4 Ų | 86.4 | 60% | 0.599 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -93.6 | 5.7 | -173.7 | -56.4 | -8.9 | 0 | 0 | 0 | 111.5 | R49 V50 | R49-D52 HydrophobicContact CB-CB 4.18Å; R49-D52 WeakPolarHBondContact CB-OD2 3.41Å; R49-D52 WeakPolarHBondContact CD-OD2 3.48Å; R49-D52 PolarHBondContact O-N 2.79Å; V50-D52 PolarHBondContact O-N 2.78Å; V50-D52 VanDerWaalsContact O-N 3.17Å |
| 53 | T | 90.3 | Very high | 91.7 | Very high | 39 Ų | 39 | 92.6 Ų | 92.6 | 24% | 0.239 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -114.9 | 165.6 | -177.7 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | V48 V50 S51 L55 R56 | V48-T53 HydrophobicContact CG1-CG2 4.31Å; V50-T53 PolarHBondContact O-N 3.02Å; V50-T53 VanDerWaalsContact O-N 3.1Å; V50-T53 PolarHBondContact O-OG1 2.69Å; S51-T53 VanDerWaalsContact C-N 3.31Å; T53-L55 PolarHBondContact O-N 3.45Å; T53-L55 WeakPolarHBondContact OG1-CB 3.47Å; T53-L55 PolarHBondContact OG1-N 2.91Å; T53-R56 WeakPolarHBondContact O-CB 3.39Å; T53-R56 WeakPolarHBondContact O-CG 3.37Å; T53-R56 PolarHBondContact O-N 3.1Å; T53-R56 VanDerWaalsContact O-N 3.08Å |
| 54 | P | 93.1 | Very high | 91.8 | Very high | 125 Ų | 125 | 97.2 Ų | 97.2 | 81% | 0.812 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -56.6 | -17.3 | 169.8 | -26 | 36 | 0 | 0 | 0 | 114.2 | R56 | P54-R56 PolarHBondContact O-N 3.31Š|
| 55 | L | 92.6 | Very high | 91.9 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -78.9 | -0.5 | 178.3 | -57.1 | 173.1 | 0 | 0 | 0 | 113.6 | V50 T53 A57 F58 L61 | V50-L55 HydrophobicContact CG1-CB 4.07Å; T53-L55 PolarHBondContact O-N 3.45Å; T53-L55 WeakPolarHBondContact OG1-CB 3.47Å; T53-L55 PolarHBondContact OG1-N 2.91Å; L55-A57 PolarHBondContact O-N 3.28Å; L55-F58 PolarHBondContact O-N 3.22Å; L55-L61 HydrophobicContact CB-CD2 3.82Å; L55-L61 HydrophobicContact CD1-CD2 3.87Å; L55-L61 HydrophobicContact CD2-CD2 4.46Å; L55-L61 HydrophobicContact CG-CD2 4.27Å |
| 56 | R | 92.2 | Very high | 92 | Very high | 188 Ų | 188 | 100.7 Ų | 100.7 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -53.7 | -20.3 | 176.1 | 68.8 | -176.8 | -178.5 | -178.6 | -0.1 | 115 | S51 T53 P54 F58 | S51-R56 WeakPolarHBondContact O-CB 3.48Å; T53-R56 WeakPolarHBondContact O-CB 3.39Å; T53-R56 WeakPolarHBondContact O-CG 3.37Å; T53-R56 PolarHBondContact O-N 3.1Å; T53-R56 VanDerWaalsContact O-N 3.08Å; P54-R56 PolarHBondContact O-N 3.31Å; R56-F58 PolarHBondContact O-N 3.03Å |
| 57 | A | 94.5 | Very high | 92.2 | Very high | 75 Ų | 75 | 104.3 Ų | 104.3 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -65.4 | -13.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 P59 | L55-A57 PolarHBondContact O-N 3.28Å; A57-P59 WeakPolarHBondContact O-CD 3.47Å |
| 58 | F | 92.9 | Very high | 92.4 | Very high | 124 Ų | 124 | 101.1 Ų | 101.1 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | trans | -114.4 | 84.2 | 179.5 | -55.5 | -78.6 | 0 | 0 | 0 | 109.8 | L55 R56 D60 L61 | L55-F58 PolarHBondContact O-N 3.22Å; R56-F58 PolarHBondContact O-N 3.03Å; F58-D60 VanDerWaalsContact C-N 3.27Å; F58-D60 PolarHBondContact O-N 3.39Å; F58-L61 HydrophobicContact CB-CB 3.77Å; F58-L61 HydrophobicContact CB-CD2 4.37Å; F58-L61 VanDerWaalsContact O-CB 3.24Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 2.95Å; F58-L61 VanDerWaalsContact O-N 3.12Å | ||
| 59 | P | 84.8 | Confident | 92.7 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 72% | 0.721 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.4 | -172.1 | 23.1 | -33.3 | 0 | 0 | 0 | 113 | A57 L61 | A57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-L61 VanDerWaalsContact C-N 3.34Å; P59-L61 PolarHBondContact O-N 3.43Å |
| 60 | D | 92.9 | Very high | 93 | Very high | 96 Ų | 96 | 91.5 Ų | 91.5 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.1 | -177.2 | -46.9 | -35.3 | 0 | 0 | 0 | 113.2 | F58 Q62 E63 R64 | F58-D60 VanDerWaalsContact C-N 3.27Å; F58-D60 PolarHBondContact O-N 3.39Å; D60-Q62 VanDerWaalsContact C-N 3.29Å; D60-Q62 PolarHBondContact O-N 3.33Å; D60-E63 PolarHBondContact O-N 2.95Å; D60-R64 HydrophobicContact CB-CG 4.39Å; D60-R64 VanDerWaalsContact O-CG 3.28Å; D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 PolarHBondContact O-N 3.02Å |
| 61 | L | 93.3 | Very high | 93.5 | Very high | 39 Ų | 39 | 95.9 Ų | 95.9 | 20% | 0.204 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | -171.8 | 179.3 | 62.2 | 0 | 0 | 0 | 112.2 | V50 L55 F58 P59 R64 L65 | V50-L61 HydrophobicContact CG1-CD2 4.32Å; L55-L61 HydrophobicContact CB-CD2 3.82Å; L55-L61 HydrophobicContact CD1-CD2 3.87Å; L55-L61 HydrophobicContact CD2-CD2 4.46Å; L55-L61 HydrophobicContact CG-CD2 4.27Å; F58-L61 HydrophobicContact CB-CB 3.77Å; F58-L61 HydrophobicContact CB-CD2 4.37Å; F58-L61 VanDerWaalsContact O-CB 3.24Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 2.95Å; F58-L61 VanDerWaalsContact O-N 3.12Å; P59-L61 VanDerWaalsContact C-N 3.34Å; P59-L61 PolarHBondContact O-N 3.43Å; L61-R64 PolarHBondContact O-N 3.16Å; L61-L65 HydrophobicContact CD1-CD1 4.02Å; L61-L65 HydrophobicContact CD1-CG 4Å; L61-L65 HydrophobicContact CG-CD1 3.9Å; L61-L65 HydrophobicContact CG-CG 4.29Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 92.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | -178.1 | -174.2 | 166.3 | -11.9 | 0 | 0 | 111.8 | L45 V50 D60 L65 Q66 | L45-Q62 HydrophobicContact CD1-CG 4.16Å; L45-Q62 HydrophobicContact CG-CG 4.37Å; V50-Q62 HydrophobicContact CG2-CB 3.98Å; V50-Q62 HydrophobicContact CG2-CG 4.43Å; D60-Q62 VanDerWaalsContact C-N 3.29Å; D60-Q62 PolarHBondContact O-N 3.33Å; Q62-L65 PolarHBondContact O-N 3.4Å; Q62-Q66 WeakPolarHBondContact O-CB 3.48Å; Q62-Q66 PolarHBondContact O-N 3.4Å |
| 63 | E | 93.6 | Very high | 94.2 | Very high | 141 Ų | 141 | 88.3 Ų | 88.3 | 66% | 0.659 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 178.2 | -63.5 | -175.4 | 176.1 | 0 | 0 | 111.3 | D60 Q66 F67 | D60-E63 PolarHBondContact O-N 2.95Å; E63-Q66 PolarHBondContact O-N 3.31Å; E63-F67 WeakPolarHBondContact O-CB 3.38Å; E63-F67 PolarHBondContact O-N 3.14Å |
| 64 | R | 95.8 | Very high | 94.5 | Very high | 172 Ų | 172 | 89.3 Ų | 89.3 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177.6 | -67.2 | -178.6 | 83.7 | -154.6 | 4.6 | 112 | D60 L61 F67 Q68 | D60-R64 HydrophobicContact CB-CG 4.39Å; D60-R64 VanDerWaalsContact O-CG 3.28Å; D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 PolarHBondContact O-N 3.02Å; L61-R64 PolarHBondContact O-N 3.16Å; R64-F67 PolarHBondContact O-N 3.3Å; R64-Q68 WeakPolarHBondContact O-CB 3.35Å; R64-Q68 WeakPolarHBondContact O-CG 3.47Å; R64-Q68 PolarHBondContact O-N 3.34Å |
| 65 | L | 95.2 | Very high | 94.8 | Very high | 63 Ų | 63 | 87.2 Ų | 87.2 | 33% | 0.33 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175 | -73.1 | 175.2 | 0 | 0 | 0 | 111.4 | L45 L61 Q62 F67 Q68 L69 | L45-L65 HydrophobicContact CD1-CB 4.17Å; L45-L65 HydrophobicContact CD1-CD1 3.95Å; L45-L65 HydrophobicContact CD2-CB 3.78Å; L61-L65 HydrophobicContact CD1-CD1 4.02Å; L61-L65 HydrophobicContact CD1-CG 4Å; L61-L65 HydrophobicContact CG-CD1 3.9Å; L61-L65 HydrophobicContact CG-CG 4.29Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 3.47Å; Q62-L65 PolarHBondContact O-N 3.4Å; L65-F67 VanDerWaalsContact C-N 3.31Å; L65-F67 PolarHBondContact O-N 3.46Å; L65-Q68 PolarHBondContact O-N 2.97Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.39Å |
| 66 | Q | 94.9 | Very high | 95 | Very high | 87 Ų | 87 | 83.8 Ų | 83.8 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.3 | -177.7 | 176 | -1.5 | 0 | 0 | 111.2 | L45 Q62 E63 L69 L70 | L45-Q66 HydrophobicContact CD2-CB 3.97Å; Q62-Q66 WeakPolarHBondContact O-CB 3.48Å; Q62-Q66 PolarHBondContact O-N 3.4Å; E63-Q66 PolarHBondContact O-N 3.31Å; Q66-L69 PolarHBondContact O-N 3.16Å; Q66-L70 HydrophobicContact CG-CD1 4.43Å; Q66-L70 WeakPolarHBondContact O-CG 3.48Å; Q66-L70 PolarHBondContact O-N 3.5Å |
| 67 | F | 96 | Very high | 95.2 | Very high | 130 Ų | 130 | 75.3 Ų | 75.3 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.5 | -179.7 | -115.6 | 0 | 0 | 0 | 112.3 | E63 R64 L65 L70 Q71 | E63-F67 WeakPolarHBondContact O-CB 3.38Å; E63-F67 PolarHBondContact O-N 3.14Å; R64-F67 PolarHBondContact O-N 3.3Å; L65-F67 VanDerWaalsContact C-N 3.31Å; L65-F67 PolarHBondContact O-N 3.46Å; F67-L70 PolarHBondContact O-N 2.95Å; F67-Q71 HydrophobicContact CZ-CG 4.43Å; F67-Q71 PolarHBondContact O-N 3.2Å |
| 68 | Q | 96.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 77 Ų | 77 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 175.5 | -77.7 | -176.5 | -24.6 | 0 | 0 | 112.6 | R64 L65 Q71 A72 | R64-Q68 WeakPolarHBondContact O-CB 3.35Å; R64-Q68 WeakPolarHBondContact O-CG 3.47Å; R64-Q68 PolarHBondContact O-N 3.34Å; L65-Q68 PolarHBondContact O-N 2.97Å; Q68-Q71 PolarHBondContact O-N 2.98Å; Q68-A72 PolarHBondContact O-N 3.43Å |
| 69 | L | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.5 | -71.4 | 171.4 | 0 | 0 | 0 | 111.5 | L38 Q41 M42 L45 L65 Q66 Q71 A72 V73 | L38-L69 HydrophobicContact CD2-CD2 3.79Å; Q41-L69 HydrophobicContact CB-CD1 4.29Å; Q41-L69 HydrophobicContact CB-CD2 3.82Å; M42-L69 HydrophobicContact CG-CB 3.98Å; M42-L69 HydrophobicContact CG-CD1 3.86Å; M42-L69 HydrophobicContact CG-CG 4.44Å; L45-L69 HydrophobicContact CB-CD1 4.5Å; L45-L69 HydrophobicContact CD2-CD1 3.86Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.39Å; Q66-L69 PolarHBondContact O-N 3.16Å; L69-Q71 PolarHBondContact O-N 2.9Å; L69-A72 WeakPolarHBondContact O-CB 3.17Å; L69-A72 PolarHBondContact O-N 3.07Å; L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.31Å |
| 70 | L | 96.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 71.2 Ų | 71.2 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.9 | -71.4 | 172.5 | 0 | 0 | 0 | 112.1 | M42 Q66 F67 A72 V73 D74 R157 | M42-L70 HydrophobicContact CE-CD2 3.7Å; M42-L70 HydrophobicContact CE-CG 4.48Å; Q66-L70 HydrophobicContact CG-CD1 4.43Å; Q66-L70 WeakPolarHBondContact O-CG 3.48Å; Q66-L70 PolarHBondContact O-N 3.5Å; F67-L70 PolarHBondContact O-N 2.95Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 3.26Å; L70-V73 WeakPolarHBondContact O-CB 3.4Å; L70-V73 PolarHBondContact O-N 2.7Å; L70-D74 PolarHBondContact O-N 2.67Å; L70-R157 HydrophobicContact CD2-CG 4.35Å; L70-R157 WeakPolarHBondContact CD2-O 3.39Å |
| 71 | Q | 97.7 | Very high | 96.4 | Very high | 105 Ų | 105 | 74.2 Ų | 74.2 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 173.9 | -76.7 | -169.5 | 50.8 | 0 | 0 | 112.6 | F67 Q68 L69 V73 D74 L75 | F67-Q71 HydrophobicContact CZ-CG 4.43Å; F67-Q71 PolarHBondContact O-N 3.2Å; Q68-Q71 PolarHBondContact O-N 2.98Å; L69-Q71 PolarHBondContact O-N 2.9Å; Q71-V73 VanDerWaalsContact C-N 3.31Å; Q71-V73 PolarHBondContact O-N 2.84Å; Q71-D74 PolarHBondContact O-N 2.9Å; Q71-L75 WeakPolarHBondContact O-CB 3.42Å; Q71-L75 PolarHBondContact O-N 3.25Å |
| 72 | A | 97.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 75.8 Ų | 75.8 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L38 Q68 L69 L70 L75 L76 | L38-A72 HydrophobicContact CD1-CB 3.7Å; L38-A72 HydrophobicContact CD2-CB 3.97Å; Q68-A72 PolarHBondContact O-N 3.43Å; L69-A72 WeakPolarHBondContact O-CB 3.17Å; L69-A72 PolarHBondContact O-N 3.07Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 3.26Å; A72-L75 PolarHBondContact O-N 3.21Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.33Å |
| 73 | V | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | L35 L38 M42 L69 L70 Q71 L75 L76 L77 R157 L163 | L35-V73 HydrophobicContact CD1-CB 4.47Å; L35-V73 HydrophobicContact CD1-CG1 4.01Å; L35-V73 HydrophobicContact CD1-CG2 4.37Å; L38-V73 HydrophobicContact CB-CG2 3.96Å; L38-V73 HydrophobicContact CD1-CB 4.41Å; L38-V73 HydrophobicContact CD1-CG2 3.67Å; L38-V73 HydrophobicContact CG-CG2 4.46Å; M42-V73 HydrophobicContact SD-CG2 4.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.31Å; L70-V73 WeakPolarHBondContact O-CB 3.4Å; L70-V73 PolarHBondContact O-N 2.7Å; Q71-V73 VanDerWaalsContact C-N 3.31Å; Q71-V73 PolarHBondContact O-N 2.84Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.08Å; V73-L76 PolarHBondContact O-N 3.32Å; V73-L76 VanDerWaalsContact O-N 3.16Å; V73-L77 HydrophobicContact CG1-CD1 3.85Å; V73-L77 HydrophobicContact CG1-CG 4.22Å; V73-L77 WeakPolarHBondContact O-CG 3.33Å; V73-L77 PolarHBondContact O-N 2.85Å; V73-R157 HydrophobicContact CG1-CB 3.84Å; V73-L163 HydrophobicContact CG1-CD1 4.21Å; V73-L163 HydrophobicContact CG1-CD2 4.11Å; V73-L163 HydrophobicContact CG2-CD1 3.92Å |
| 74 | D | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | -179.8 | -74.4 | -26.1 | 0 | 0 | 0 | 111.3 | L70 Q71 L77 Q78 R157 | L70-D74 PolarHBondContact O-N 2.67Å; Q71-D74 PolarHBondContact O-N 2.9Å; D74-L77 PolarHBondContact O-N 3.42Å; D74-Q78 WeakPolarHBondContact O-CB 3.33Å; D74-Q78 PolarHBondContact O-N 3.47Å; D74-R157 WeakPolarHBondContact OD1-CD 3.18Å; D74-R157 IonicContact OD2-NH1 3.85Å; D74-R157 PolarHBondContact OD2-NH1 2.88Å; D74-R157 VanDerWaalsContact OD2-NH1 3.14Å |
| 75 | L | 97.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.6 | 179.3 | 63.9 | 0 | 0 | 0 | 112.7 | Q71 A72 V73 Q78 R79 | Q71-L75 WeakPolarHBondContact O-CB 3.42Å; Q71-L75 PolarHBondContact O-N 3.25Å; A72-L75 PolarHBondContact O-N 3.21Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.08Å; L75-Q78 PolarHBondContact O-N 2.66Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.07Å |
| 76 | L | 97.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 178.3 | -71.4 | -178.4 | 0 | 0 | 0 | 111.7 | L31 L35 L38 A72 V73 Q78 R79 L80 | L31-L76 HydrophobicContact CD2-CD2 3.88Å; L35-L76 HydrophobicContact CB-CD1 4.44Å; L35-L76 HydrophobicContact CD1-CB 4.2Å; L35-L76 HydrophobicContact CD1-CD1 4.29Å; L38-L76 HydrophobicContact CD1-CD1 3.59Å; L38-L76 HydrophobicContact CD1-CG 4.46Å; L38-L76 HydrophobicContact CG-CD1 4.46Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.33Å; V73-L76 PolarHBondContact O-N 3.32Å; V73-L76 VanDerWaalsContact O-N 3.16Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.31Å; L76-R79 PolarHBondContact O-N 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.78Å |
| 77 | L | 96.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -38 | 175.5 | -69.9 | 177.9 | 0 | 0 | 0 | 111.5 | L35 V73 D74 L80 R81 L155 | L35-L77 HydrophobicContact CD1-CD2 4.41Å; L35-L77 HydrophobicContact CD1-CG 4.46Å; L35-L77 HydrophobicContact CD2-CD2 3.99Å; V73-L77 HydrophobicContact CG1-CD1 3.85Å; V73-L77 HydrophobicContact CG1-CG 4.22Å; V73-L77 WeakPolarHBondContact O-CG 3.33Å; V73-L77 PolarHBondContact O-N 2.85Å; D74-L77 PolarHBondContact O-N 3.42Å; L77-L80 PolarHBondContact O-N 3.26Å; L77-R81 VanDerWaalsContact O-CG 3.26Å; L77-R81 WeakPolarHBondContact O-CG 3.42Å; L77-R81 PolarHBondContact O-N 3.49Å; L77-L155 HydrophobicContact CD2-CB 4.32Å; L77-L155 HydrophobicContact CD2-CD1 4.19Å |
| 78 | Q | 97.1 | Very high | 97.6 | Very high | 110 Ų | 110 | 59.1 Ų | 59.1 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 172.6 | -174.8 | -174.9 | -39 | 0 | 0 | 111.4 | D74 L75 L76 L80 R81 D82 | D74-Q78 WeakPolarHBondContact O-CB 3.33Å; D74-Q78 PolarHBondContact O-N 3.47Å; L75-Q78 PolarHBondContact O-N 2.66Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.31Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 3.37Å; Q78-R81 WeakPolarHBondContact O-CB 3.43Å; Q78-R81 PolarHBondContact O-N 3.37Å; Q78-D82 PolarHBondContact O-N 3.19Å |
| 79 | R | 98 | Very high | 97.7 | Very high | 115 Ų | 115 | 56.3 Ų | 56.3 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 178 | -70.3 | 174.3 | -178.8 | -168.7 | 0.2 | 112.2 | L31 L75 L76 D82 R83 | L31-R79 HydrophobicContact CD1-CB 4.02Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.07Å; L76-R79 PolarHBondContact O-N 3.28Å; R79-D82 WeakPolarHBondContact O-CB 3.46Å; R79-D82 PolarHBondContact O-N 3.16Å; R79-R83 WeakPolarHBondContact O-CG 3.49Å; R79-R83 PolarHBondContact O-N 2.96Å; R79-R83 VanDerWaalsContact O-N 3.1Å |
| 80 | L | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.3 | -77.1 | 165.5 | 0 | 0 | 0 | 111.8 | C28 L31 M32 L76 L77 Q78 D82 R83 M84 L152 | C28-L80 HydrophobicContact CB-CD2 4.18Å; L31-L80 HydrophobicContact CB-CD1 4.43Å; L31-L80 HydrophobicContact CB-CD2 3.76Å; L31-L80 HydrophobicContact CB-CG 3.98Å; L31-L80 HydrophobicContact CD1-CD2 3.95Å; L31-L80 HydrophobicContact CD1-CG 4.14Å; M32-L80 HydrophobicContact CE-CD1 3.89Å; M32-L80 HydrophobicContact CE-CD2 3.73Å; M32-L80 HydrophobicContact CE-CG 4.39Å; M32-L80 HydrophobicContact CG-CD2 4.35Å; M32-L80 HydrophobicContact SD-CD1 4.09Å; M32-L80 HydrophobicContact SD-CD2 4.48Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.78Å; L77-L80 PolarHBondContact O-N 3.26Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact C-N 3.31Å; L80-D82 PolarHBondContact O-N 3.14Å; L80-R83 PolarHBondContact O-N 2.82Å; L80-R83 VanDerWaalsContact O-N 3.14Å; L80-M84 WeakPolarHBondContact O-CG 3.32Å; L80-M84 PolarHBondContact O-N 3.45Å; L80-L152 HydrophobicContact CB-CD1 4.32Å; L80-L152 HydrophobicContact CB-CD2 4.07Å; L80-L152 HydrophobicContact CD1-CD2 3.98Å; L80-L152 HydrophobicContact CG-CD2 4.49Å |
| 81 | R | 96.6 | Very high | 97.8 | Very high | 158 Ų | 158 | 56.9 Ų | 56.9 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 173.8 | -70.4 | 166.9 | -172.3 | 162.6 | 4 | 112 | L77 Q78 R83 M84 S85 | L77-R81 VanDerWaalsContact O-CG 3.26Å; L77-R81 WeakPolarHBondContact O-CG 3.42Å; L77-R81 PolarHBondContact O-N 3.49Å; Q78-R81 WeakPolarHBondContact O-CB 3.43Å; Q78-R81 PolarHBondContact O-N 3.37Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3Å; R81-M84 WeakPolarHBondContact O-CB 3.4Å; R81-M84 PolarHBondContact O-N 2.8Å; R81-S85 PolarHBondContact O-N 3.2Å |
| 82 | D | 97.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 174.5 | -60.6 | -25 | 0 | 0 | 0 | 112.1 | Q78 R79 L80 S85 | Q78-D82 PolarHBondContact O-N 3.19Å; R79-D82 WeakPolarHBondContact O-CB 3.46Å; R79-D82 PolarHBondContact O-N 3.16Å; L80-D82 VanDerWaalsContact C-N 3.31Å; L80-D82 PolarHBondContact O-N 3.14Å; D82-S85 PolarHBondContact O-OG 3.43Å |
| 83 | R | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.5 | -35.1 | 172.1 | -61.7 | -50.8 | -179.6 | -99.3 | 12.4 | 112.4 | V24 E27 C28 L31 R79 L80 R81 S85 R86 L87 | V24-R83 HydrophobicContact CG1-CB 4.06Å; E27-R83 IonicContact OE2-CZ 3.43Å; E27-R83 VanDerWaalsContact OE2-CZ 3.26Å; E27-R83 IonicContact OE2-NE 3.89Å; E27-R83 PolarHBondContact OE2-NE 3.28Å; E27-R83 IonicContact OE2-NH2 3.9Å; E27-R83 PolarHBondContact OE2-NH2 2.66Å; C28-R83 WeakPolarHBondContact SG-CB 3.33Å; L31-R83 HydrophobicContact CD1-CG 4.46Å; R79-R83 WeakPolarHBondContact O-CG 3.49Å; R79-R83 PolarHBondContact O-N 2.96Å; R79-R83 VanDerWaalsContact O-N 3.1Å; L80-R83 PolarHBondContact O-N 2.82Å; L80-R83 VanDerWaalsContact O-N 3.14Å; R81-R83 VanDerWaalsContact C-N 3.29Å; R81-R83 PolarHBondContact O-N 3Å; R83-S85 VanDerWaalsContact C-N 3.31Å; R83-S85 PolarHBondContact O-N 3.05Å; R83-R86 VanDerWaalsContact CD-NH1 3.35Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 PolarHBondContact O-N 3.21Å; R83-L87 PolarHBondContact O-N 2.99Å |
| 84 | M | 97.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.069 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 173.4 | -71.3 | -53.5 | -53.3 | 0 | 0 | 112.9 | L80 R81 R86 L87 Q88 F145 R148 K149 L152 W170 | L80-M84 WeakPolarHBondContact O-CG 3.32Å; L80-M84 PolarHBondContact O-N 3.45Å; R81-M84 WeakPolarHBondContact O-CB 3.4Å; R81-M84 PolarHBondContact O-N 2.8Å; M84-R86 VanDerWaalsContact C-N 3.28Å; M84-R86 PolarHBondContact O-N 3.2Å; M84-L87 HydrophobicContact CE-CD1 4.25Å; M84-L87 PolarHBondContact O-N 3.24Å; M84-L87 HydrophobicContact SD-CD1 3.82Å; M84-Q88 WeakPolarHBondContact O-CB 3.36Å; M84-Q88 PolarHBondContact O-N 3.2Å; M84-F145 HydrophobicContact CE-CD2 3.56Å; M84-F145 HydrophobicContact CE-CE2 3.43Å; M84-F145 VanDerWaalsContact CE-CE2 3.43Å; M84-F145 HydrophobicContact CE-CG 4.46Å; M84-F145 HydrophobicContact CE-CZ 4.25Å; M84-F145 WeakPolarHBondContact O-CE2 3.36Å; M84-R148 HydrophobicContact CE-CB 4.07Å; M84-R148 HydrophobicContact SD-CB 4.17Å; M84-K149 HydrophobicContact CE-CB 3.97Å; M84-L152 HydrophobicContact CG-CD1 3.15Å; M84-L152 HydrophobicContact SD-CD1 3.59Å; M84-L152 VanDerWaalsContact SD-CD1 3.59Å; M84-W170 HydrophobicContact SD-CH2 4.29Å |
| 85 | S | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 175.9 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | R81 D82 R83 Q88 A89 | R81-S85 PolarHBondContact O-N 3.2Å; D82-S85 PolarHBondContact O-OG 3.43Å; R83-S85 VanDerWaalsContact C-N 3.31Å; R83-S85 PolarHBondContact O-N 3.05Å; S85-Q88 WeakPolarHBondContact O-CB 3.43Å; S85-Q88 PolarHBondContact O-N 3.18Å; S85-A89 PolarHBondContact O-N 3.05Å |
| 86 | R | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 171.9 | -67.7 | 169.3 | 62.6 | -164.2 | -2.7 | 112 | V24 E27 R83 M84 Q88 A89 I90 | V24-R86 HydrophobicContact CG1-CB 4.34Å; V24-R86 HydrophobicContact CG2-CB 4.15Å; E27-R86 IonicContact OE1-CZ 3.33Å; E27-R86 IonicContact OE1-NH1 3.72Å; E27-R86 PolarHBondContact OE1-NH1 3.39Å; E27-R86 IonicContact OE1-NH2 3.22Å; E27-R86 PolarHBondContact OE1-NH2 2.85Å; E27-R86 IonicContact OE2-CZ 2.66Å; E27-R86 IonicContact OE2-NH1 2.9Å; E27-R86 PolarHBondContact OE2-NH1 2.91Å; R83-R86 VanDerWaalsContact CD-NH1 3.35Å; R83-R86 WeakPolarHBondContact O-CB 3.26Å; R83-R86 PolarHBondContact O-N 3.21Å; M84-R86 VanDerWaalsContact C-N 3.28Å; M84-R86 PolarHBondContact O-N 3.2Å; R86-Q88 PolarHBondContact O-N 3.34Å; R86-A89 PolarHBondContact O-N 2.85Å; R86-I90 WeakPolarHBondContact O-CG1 3.3Å; R86-I90 PolarHBondContact O-N 3.29Å; R86-I90 VanDerWaalsContact O-N 3.08Å |
| 87 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 174.3 | -67.3 | 177.2 | 0 | 0 | 0 | 111.9 | W21 V24 L25 R83 M84 I90 R91 F145 | W21-L87 HydrophobicContact CD2-CD2 3.71Å; W21-L87 HydrophobicContact CE3-CB 4.35Å; W21-L87 HydrophobicContact CE3-CD2 3.59Å; W21-L87 HydrophobicContact CG-CD2 4.32Å; W21-L87 HydrophobicContact CH2-CB 4.16Å; W21-L87 HydrophobicContact CH2-CD2 4.12Å; W21-L87 HydrophobicContact CH2-CG 4.5Å; W21-L87 HydrophobicContact CZ2-CD2 4.22Å; W21-L87 HydrophobicContact CZ3-CB 3.82Å; W21-L87 HydrophobicContact CZ3-CD2 3.82Å; W21-L87 HydrophobicContact CZ3-CG 4.34Å; W21-L87 WeakPolarHBondContact CZ3-O 3.37Å; V24-L87 HydrophobicContact CB-CD2 3.71Å; V24-L87 HydrophobicContact CB-CG 4.32Å; V24-L87 HydrophobicContact CG1-CD1 4.36Å; V24-L87 HydrophobicContact CG1-CD2 3.57Å; V24-L87 HydrophobicContact CG1-CG 3.62Å; L25-L87 HydrophobicContact CD2-CD1 3.97Å; L25-L87 HydrophobicContact CD2-CD2 4.25Å; R83-L87 PolarHBondContact O-N 2.99Å; M84-L87 HydrophobicContact CE-CD1 4.25Å; M84-L87 PolarHBondContact O-N 3.24Å; M84-L87 HydrophobicContact SD-CD1 3.82Å; L87-I90 PolarHBondContact O-N 3.47Å; L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 PolarHBondContact O-N 3.26Å; L87-F145 HydrophobicContact CB-CD2 4.08Å; L87-F145 HydrophobicContact CB-CE2 4.48Å |
| 88 | Q | 98.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.8 | -169.9 | 175.3 | -28.6 | 0 | 0 | 111.1 | M84 S85 R86 I90 R91 D92 F145 | M84-Q88 WeakPolarHBondContact O-CB 3.36Å; M84-Q88 PolarHBondContact O-N 3.2Å; S85-Q88 WeakPolarHBondContact O-CB 3.43Å; S85-Q88 PolarHBondContact O-N 3.18Å; R86-Q88 PolarHBondContact O-N 3.34Å; Q88-I90 VanDerWaalsContact C-N 3.3Å; Q88-I90 PolarHBondContact O-N 3.3Å; Q88-R91 WeakPolarHBondContact O-CB 3.37Å; Q88-R91 PolarHBondContact O-N 3.09Å; Q88-D92 WeakPolarHBondContact O-CB 3.48Å; Q88-D92 PolarHBondContact O-N 3.4Å; Q88-F145 HydrophobicContact CB-CD2 4.32Å; Q88-F145 HydrophobicContact CB-CE2 3.45Å; Q88-F145 VanDerWaalsContact CB-CE2 3.45Å; Q88-F145 HydrophobicContact CB-CZ 3.62Å; Q88-F145 HydrophobicContact CG-CE1 4.34Å; Q88-F145 HydrophobicContact CG-CE2 4.03Å; Q88-F145 HydrophobicContact CG-CZ 3.69Å |
| 89 | A | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S85 R86 D92 S93 | S85-A89 PolarHBondContact O-N 3.05Å; R86-A89 PolarHBondContact O-N 2.85Å; A89-D92 PolarHBondContact O-N 3.38Å; A89-S93 WeakPolarHBondContact O-CB 3.38Å; A89-S93 PolarHBondContact O-N 3.08Å |
| 90 | I | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 175.6 | -65.8 | 165.8 | 0 | 0 | 0 | 110.7 | Q17 A20 W21 V24 R86 L87 Q88 D92 S93 V94 | Q17-I90 HydrophobicContact CB-CG2 3.91Å; Q17-I90 HydrophobicContact CG-CG2 4.43Å; Q17-I90 WeakPolarHBondContact O-CG2 3.44Å; A20-I90 HydrophobicContact CB-CD1 3.88Å; A20-I90 HydrophobicContact CB-CG1 4.38Å; W21-I90 HydrophobicContact CB-CD1 4.45Å; W21-I90 HydrophobicContact CB-CG2 4.24Å; W21-I90 HydrophobicContact CE3-CB 4.22Å; W21-I90 HydrophobicContact CE3-CG2 3.9Å; V24-I90 HydrophobicContact CG2-CD1 4.13Å; R86-I90 WeakPolarHBondContact O-CG1 3.3Å; R86-I90 PolarHBondContact O-N 3.29Å; R86-I90 VanDerWaalsContact O-N 3.08Å; L87-I90 PolarHBondContact O-N 3.47Å; Q88-I90 VanDerWaalsContact C-N 3.3Å; Q88-I90 PolarHBondContact O-N 3.3Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.99Å; I90-S93 WeakPolarHBondContact O-CB 3.28Å; I90-S93 PolarHBondContact O-N 2.89Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 2.99Å |
| 91 | R | 98.2 | Very high | 97.6 | Very high | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.4 | -46.6 | 175.3 | 176.7 | -154.9 | 68.7 | 173.6 | -1.4 | 111.2 | L87 Q88 S93 V94 G95 | L87-R91 WeakPolarHBondContact O-CB 3.41Å; L87-R91 PolarHBondContact O-N 3.26Å; Q88-R91 WeakPolarHBondContact O-CB 3.37Å; Q88-R91 PolarHBondContact O-N 3.09Å; R91-S93 VanDerWaalsContact C-N 3.34Å; R91-V94 PolarHBondContact O-N 3.37Å; R91-G95 PolarHBondContact O-N 3.2Å |
| 92 | D | 98.5 | Very high | 97.5 | Very high | 76 Ų | 76 | 43.3 Ų | 43.3 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | -177.4 | -67.2 | -11.8 | 0 | 0 | 0 | 111.3 | Q88 A89 I90 G95 G96 | Q88-D92 WeakPolarHBondContact O-CB 3.48Å; Q88-D92 PolarHBondContact O-N 3.4Å; A89-D92 PolarHBondContact O-N 3.38Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.99Å; D92-G95 PolarHBondContact O-N 3.07Å; D92-G96 PolarHBondContact O-N 3.02Å |
| 93 | S | 98.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | Q17 A89 I90 R91 G95 G96 H97 | Q17-S93 PolarHBondContact NE2-OG 3Å; A89-S93 WeakPolarHBondContact O-CB 3.38Å; A89-S93 PolarHBondContact O-N 3.08Å; I90-S93 WeakPolarHBondContact O-CB 3.28Å; I90-S93 PolarHBondContact O-N 2.89Å; R91-S93 VanDerWaalsContact C-N 3.34Å; S93-G95 VanDerWaalsContact C-N 3.35Å; S93-G95 PolarHBondContact O-N 3.28Å; S93-G96 PolarHBondContact O-N 3.12Å; S93-H97 PolarHBondContact O-CD2 3.5Å; S93-H97 PolarHBondContact O-N 3.02Å |
| 94 | V | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | L14 Q17 I90 R91 G96 H97 V98 E138 Y141 | L14-V94 HydrophobicContact CD1-CG1 4.24Å; L14-V94 HydrophobicContact CD1-CG2 4.24Å; Q17-V94 HydrophobicContact CB-CG2 3.74Å; Q17-V94 HydrophobicContact CG-CG2 3.88Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 2.99Å; R91-V94 PolarHBondContact O-N 3.37Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 2.65Å; V94-H97 PolarHBondContact O-N 3.19Å; V94-V98 HydrophobicContact CG1-CG2 4.35Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 3.35Å; V94-E138 HydrophobicContact CG1-CB 4.28Å; V94-Y141 HydrophobicContact CB-CD2 4.43Å; V94-Y141 HydrophobicContact CG1-CD2 4.12Å; V94-Y141 HydrophobicContact CG2-CD2 4.08Å; V94-Y141 HydrophobicContact CG2-CE2 4.3Å |
| 95 | G | 97.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R91 D92 S93 V98 S99 | R91-G95 PolarHBondContact O-N 3.2Å; D92-G95 PolarHBondContact O-N 3.07Å; S93-G95 VanDerWaalsContact C-N 3.35Å; S93-G95 PolarHBondContact O-N 3.28Å; G95-V98 PolarHBondContact O-N 3.31Å; G95-S99 VanDerWaalsContact O-CB 3.25Å; G95-S99 WeakPolarHBondContact O-CB 3.44Å; G95-S99 PolarHBondContact O-N 3.17Å |
| 96 | G | 97.7 | Very high | 96.5 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D92 S93 V94 S99 A100 | D92-G96 PolarHBondContact O-N 3.02Å; S93-G96 PolarHBondContact O-N 3.12Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 2.65Å; G96-S99 PolarHBondContact O-N 3.3Å; G96-A100 WeakPolarHBondContact O-CB 3.44Å; G96-A100 PolarHBondContact O-N 3.24Å |
| 97 | H | 96 | Very high | 96.1 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.8 | -76.7 | -61.1 | 0 | 0 | 0 | 112.8 | S10 A13 S93 V94 V101 | S10-H97 PolarHBondContact OG-O 3.33Å; A13-H97 WeakPolarHBondContact CB-NE2 3.4Å; S93-H97 PolarHBondContact O-CD2 3.5Å; S93-H97 PolarHBondContact O-N 3.02Å; V94-H97 PolarHBondContact O-N 3.19Å; H97-V101 WeakPolarHBondContact O-CG2 3.48Å; H97-V101 PolarHBondContact O-N 3.41Å; H97-V101 VanDerWaalsContact O-N 3.16Å |
| 98 | V | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | V94 G95 A100 V101 L102 L134 Q135 E138 | V94-V98 HydrophobicContact CG1-CG2 4.35Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 3.35Å; G95-V98 PolarHBondContact O-N 3.31Å; V98-A100 PolarHBondContact O-N 3.48Å; V98-V101 PolarHBondContact O-N 3.11Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.31Å; V98-L102 WeakPolarHBondContact O-CB 3.37Å; V98-L102 WeakPolarHBondContact O-CG 3.24Å; V98-L102 PolarHBondContact O-N 2.91Å; V98-L134 HydrophobicContact CG2-CB 3.99Å; V98-L134 HydrophobicContact CG2-CD2 4.49Å; V98-L134 WeakPolarHBondContact CG2-O 3.48Å; V98-Q135 HydrophobicContact CG1-CG 4.01Å; V98-E138 HydrophobicContact CB-CB 4.35Å; V98-E138 HydrophobicContact CG1-CB 4.39Å; V98-E138 HydrophobicContact CG2-CB 4.01Å |
| 99 | S | 96.6 | Very high | 94.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | G95 G96 V101 L102 Q103 | G95-S99 VanDerWaalsContact O-CB 3.25Å; G95-S99 WeakPolarHBondContact O-CB 3.44Å; G95-S99 PolarHBondContact O-N 3.17Å; G96-S99 PolarHBondContact O-N 3.3Å; S99-V101 PolarHBondContact O-N 3.18Å; S99-L102 PolarHBondContact O-N 3.02Å; S99-Q103 WeakPolarHBondContact O-CG 3.41Å; S99-Q103 PolarHBondContact O-N 3.47Å |
| 100 | A | 95.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 58 Ų | 58 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G96 V98 Q103 L104 | G96-A100 WeakPolarHBondContact O-CB 3.44Å; G96-A100 PolarHBondContact O-N 3.24Å; V98-A100 PolarHBondContact O-N 3.48Å; A100-Q103 PolarHBondContact O-N 3.27Å; A100-L104 WeakPolarHBondContact O-CG 3.39Å; A100-L104 PolarHBondContact O-N 2.92Å |
| 101 | V | 95.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 177.9 | 167.2 | 0 | 0 | 0 | 0 | 111.7 | L3 A6 V7 S10 H97 V98 S99 Q103 L104 Y105 L131 L134 | L3-V101 HydrophobicContact CD1-CG1 4.45Å; A6-V101 HydrophobicContact CB-CG2 3.97Å; V7-V101 HydrophobicContact CG2-CG1 3.63Å; S10-V101 WeakPolarHBondContact OG-CG2 3.5Å; H97-V101 WeakPolarHBondContact O-CG2 3.48Å; H97-V101 PolarHBondContact O-N 3.41Å; H97-V101 VanDerWaalsContact O-N 3.16Å; V98-V101 PolarHBondContact O-N 3.11Å; S99-V101 PolarHBondContact O-N 3.18Å; V101-Q103 VanDerWaalsContact C-N 3.34Å; V101-L104 PolarHBondContact O-N 3.03Å; V101-Y105 PolarHBondContact O-N 3.46Å; V101-L131 HydrophobicContact CG1-CD2 3.31Å; V101-L134 HydrophobicContact CG1-CD1 4.27Å |
| 102 | L | 94.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.9 | -70.9 | 174.2 | 0 | 0 | 0 | 112 | V98 S99 Y105 Q106 L131 Q135 | V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.31Å; V98-L102 WeakPolarHBondContact O-CB 3.37Å; V98-L102 WeakPolarHBondContact O-CG 3.24Å; V98-L102 PolarHBondContact O-N 2.91Å; S99-L102 PolarHBondContact O-N 3.02Å; L102-Y105 PolarHBondContact O-N 2.99Å; L102-Q106 WeakPolarHBondContact O-CB 3.24Å; L102-Q106 VanDerWaalsContact O-CG 3.25Å; L102-Q106 WeakPolarHBondContact O-CG 3.36Å; L102-Q106 PolarHBondContact O-N 3.4Å; L102-L131 HydrophobicContact CD2-CD2 4.33Å; L102-Q135 HydrophobicContact CD1-CG 3.91Å; L102-Q135 HydrophobicContact CD2-CG 4.44Å |
| 103 | Q | 94.1 | Very high | 91.9 | Very high | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 172.7 | -76.1 | 178.8 | -32.2 | 0 | 0 | 111.3 | S99 A100 V101 Y105 Q106 D107 | S99-Q103 WeakPolarHBondContact O-CG 3.41Å; S99-Q103 PolarHBondContact O-N 3.47Å; A100-Q103 PolarHBondContact O-N 3.27Å; V101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-Y105 VanDerWaalsContact C-N 3.27Å; Q103-Y105 PolarHBondContact O-N 3.38Å; Q103-Q106 WeakPolarHBondContact O-CB 3.38Å; Q103-Q106 PolarHBondContact O-N 2.97Å; Q103-Q106 VanDerWaalsContact O-N 3.1Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 3.16Å |
| 104 | L | 93.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 176.7 | -69.6 | 172 | 0 | 0 | 0 | 112.8 | L3 A6 A100 V101 S108 | L3-L104 HydrophobicContact CD1-CB 4.06Å; A6-L104 HydrophobicContact CB-CD1 3.59Å; A100-L104 WeakPolarHBondContact O-CG 3.39Å; A100-L104 PolarHBondContact O-N 2.92Å; V101-L104 PolarHBondContact O-N 3.03Å; L104-S108 WeakPolarHBondContact O-CB 3.49Å; L104-S108 PolarHBondContact O-N 3.44Å; L104-S108 PolarHBondContact O-OG 2.83Å |
| 105 | Y | 92 | Very high | 90.7 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 173.4 | 172.5 | -96.7 | 0 | 0 | 0 | 111.3 | L3 V101 L102 Q103 S108 A109 L112 L127 L131 | L3-Y105 HydrophobicContact CD2-CD2 4.03Å; V101-Y105 PolarHBondContact O-N 3.46Å; L102-Y105 PolarHBondContact O-N 2.99Å; Q103-Y105 VanDerWaalsContact C-N 3.27Å; Q103-Y105 PolarHBondContact O-N 3.38Å; Y105-S108 CarbonylContact O-C 3.51Å; Y105-S108 PolarHBondContact O-N 2.98Å; Y105-S108 VanDerWaalsContact O-N 3.15Å; Y105-A109 PolarHBondContact O-N 3.22Å; Y105-L112 HydrophobicContact CD2-CD2 4.12Å; Y105-L112 HydrophobicContact CE2-CD2 3.72Å; Y105-L127 HydrophobicContact CD2-CD2 4.26Å; Y105-L127 HydrophobicContact CE2-CD2 4.41Å; Y105-L131 HydrophobicContact CD1-CD1 4.36Å; Y105-L131 HydrophobicContact CD2-CD1 3.55Å; Y105-L131 HydrophobicContact CE2-CD1 3.96Å; Y105-L131 HydrophobicContact CG-CD1 3.77Å |
| 106 | Q | 90.6 | Very high | 90.2 | Very high | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 177.8 | -73.6 | 168.1 | -7.8 | 0 | 0 | 111.8 | L102 Q103 S108 A109 | L102-Q106 WeakPolarHBondContact O-CB 3.24Å; L102-Q106 VanDerWaalsContact O-CG 3.25Å; L102-Q106 WeakPolarHBondContact O-CG 3.36Å; L102-Q106 PolarHBondContact O-N 3.4Å; Q103-Q106 WeakPolarHBondContact O-CB 3.38Å; Q103-Q106 PolarHBondContact O-N 2.97Å; Q103-Q106 VanDerWaalsContact O-N 3.1Å; Q106-S108 PolarHBondContact O-N 2.91Å; Q106-A109 VanDerWaalsContact O-CB 3.27Å; Q106-A109 WeakPolarHBondContact O-CB 3.36Å; Q106-A109 PolarHBondContact O-N 3.18Å; Q106-A109 VanDerWaalsContact O-N 3.13Å |
| 107 | D | 90.1 | Very high | 89.7 | Confident | 132 Ų | 132 | 70.2 Ų | 70.2 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.3 | -26 | 177.3 | -65.9 | -19.4 | 0 | 0 | 0 | 112.4 | Q103 | Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 3.16Å |
| 108 | S | 87.2 | Confident | 89.4 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -96.2 | -6.4 | 179.4 | -51.3 | 0 | 0 | 0 | 0 | 113 | L104 Y105 Q106 D110 S111 L112 | L104-S108 WeakPolarHBondContact O-CB 3.49Å; L104-S108 PolarHBondContact O-N 3.44Å; L104-S108 PolarHBondContact O-OG 2.83Å; Y105-S108 CarbonylContact O-C 3.51Å; Y105-S108 PolarHBondContact O-N 2.98Å; Y105-S108 VanDerWaalsContact O-N 3.15Å; Q106-S108 PolarHBondContact O-N 2.91Å; S108-D110 PolarHBondContact O-N 3.01Å; S108-S111 PolarHBondContact O-N 3.39Å; S108-S111 PolarHBondContact O-OG 3.18Å; S108-L112 WeakPolarHBondContact O-CB 3.48Å; S108-L112 PolarHBondContact O-N 3.4Å |
| 109 | A | 81.9 | Confident | 89.1 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -63.4 | -38.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y105 Q106 S111 L112 | Y105-A109 PolarHBondContact O-N 3.22Å; Q106-A109 VanDerWaalsContact O-CB 3.27Å; Q106-A109 WeakPolarHBondContact O-CB 3.36Å; Q106-A109 PolarHBondContact O-N 3.18Å; Q106-A109 VanDerWaalsContact O-N 3.13Å; A109-S111 PolarHBondContact O-N 3.37Å; A109-L112 PolarHBondContact O-N 2.93Å |
| 110 | D | 81.3 | Confident | 88.8 | Confident | 176 Ų | 176 | 82 Ų | 82 | 94% | 0.941 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.7 | 178.7 | -66.5 | -26.4 | 0 | 0 | 0 | 113 | S108 | S108-D110 PolarHBondContact O-N 3.01Š|
| 111 | S | 82.3 | Confident | 88.3 | Confident | 104 Ų | 104 | 83 Ų | 83 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -103.6 | -12.7 | 179.7 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | S108 A109 | S108-S111 PolarHBondContact O-N 3.39Å; S108-S111 PolarHBondContact O-OG 3.18Å; A109-S111 PolarHBondContact O-N 3.37Å |
| 112 | L | 84.3 | Confident | 87.8 | Confident | 46 Ų | 46 | 88.8 Ų | 88.8 | 24% | 0.241 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -99.6 | 111.2 | -173.4 | -163.5 | 83.2 | 0 | 0 | 0 | 109.9 | L3 Y105 S108 A109 V116 A117 L127 | L3-L112 HydrophobicContact CD2-CD2 4.47Å; Y105-L112 HydrophobicContact CD2-CD2 4.12Å; Y105-L112 HydrophobicContact CE2-CD2 3.72Å; S108-L112 WeakPolarHBondContact O-CB 3.48Å; S108-L112 PolarHBondContact O-N 3.4Å; A109-L112 PolarHBondContact O-N 2.93Å; L112-V116 HydrophobicContact CD1-CG1 4.33Å; L112-A117 HydrophobicContact CD2-CB 3.92Å; L112-L127 HydrophobicContact CD2-CD2 3.78Å |
| 113 | D | 86.1 | Confident | 87.3 | Confident | 101 Ų | 101 | 91 Ų | 91 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | trans | -63.7 | 137.6 | 174.7 | -176.8 | 8.8 | 0 | 0 | 0 | 110.8 | A115 V116 A117 | D113-A115 PolarHBondContact O-N 3.37Å; D113-A115 PolarHBondContact OD1-N 3.04Å; D113-A115 WeakPolarHBondContact OD2-CB 3.5Å; D113-V116 HydrophobicContact CB-CB 4.44Å; D113-V116 HydrophobicContact CB-CG2 4.03Å; D113-V116 WeakPolarHBondContact O-CA 3.49Å; D113-V116 WeakPolarHBondContact O-CB 3.38Å; D113-V116 PolarHBondContact O-N 3.49Å; D113-A117 PolarHBondContact O-N 3.19Å | ||
| 114 | V | 84.9 | Confident | 87 | Confident | 109 Ų | 109 | 86.6 Ų | 86.6 | 66% | 0.661 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.8 | -35.6 | 176 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | V116 A117 T118 | V114-V116 VanDerWaalsContact C-N 3.28Å; V114-V116 PolarHBondContact O-N 3.44Å; V114-A117 PolarHBondContact O-N 3.36Å; V114-T118 HydrophobicContact CG1-CG2 4.42Å; V114-T118 WeakPolarHBondContact O-CG2 3.46Å; V114-T118 PolarHBondContact O-N 3Å; V114-T118 VanDerWaalsContact O-N 3.09Å; V114-T118 PolarHBondContact O-OG1 3.41Å |
| 115 | A | 86.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D113 T118 Q119 | D113-A115 PolarHBondContact O-N 3.37Å; D113-A115 PolarHBondContact OD1-N 3.04Å; D113-A115 WeakPolarHBondContact OD2-CB 3.5Å; A115-T118 PolarHBondContact O-OG1 3.16Å; A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 3.27Å; A115-Q119 VanDerWaalsContact O-N 3.14Å |
| 116 | V | 85.5 | Confident | 87 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.6 | -40.8 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L112 D113 V114 T118 Q119 | L112-V116 HydrophobicContact CD1-CG1 4.33Å; D113-V116 HydrophobicContact CB-CB 4.44Å; D113-V116 HydrophobicContact CB-CG2 4.03Å; D113-V116 WeakPolarHBondContact O-CA 3.49Å; D113-V116 WeakPolarHBondContact O-CB 3.38Å; D113-V116 PolarHBondContact O-N 3.49Å; V114-V116 VanDerWaalsContact C-N 3.28Å; V114-V116 PolarHBondContact O-N 3.44Å; V116-T118 VanDerWaalsContact C-N 3.26Å; V116-T118 PolarHBondContact O-N 3.42Å; V116-Q119 PolarHBondContact O-N 2.66Å |
| 117 | A | 87.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 4% | 0.041 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.6 | -29.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L112 D113 V114 L127 A128 | L112-A117 HydrophobicContact CD2-CB 3.92Å; D113-A117 PolarHBondContact O-N 3.19Å; V114-A117 PolarHBondContact O-N 3.36Å; A117-L127 WeakPolarHBondContact O-CB 3.09Å; A117-L127 PolarHBondContact O-N 3.03Å; A117-A128 PolarHBondContact O-N 3.27Å |
| 118 | T | 90.4 | Very high | 87.3 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -97.6 | -3.4 | -178.9 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | V114 A115 V116 R120 S126 A128 | V114-T118 HydrophobicContact CG1-CG2 4.42Å; V114-T118 WeakPolarHBondContact O-CG2 3.46Å; V114-T118 PolarHBondContact O-N 3Å; V114-T118 VanDerWaalsContact O-N 3.09Å; V114-T118 PolarHBondContact O-OG1 3.41Å; A115-T118 PolarHBondContact O-OG1 3.16Å; V116-T118 VanDerWaalsContact C-N 3.26Å; V116-T118 PolarHBondContact O-N 3.42Å; T118-R120 PolarHBondContact O-N 3.05Å; T118-S126 WeakPolarHBondContact O-CB 3.44Å; T118-A128 HydrophobicContact CG2-CB 4.42Å |
| 119 | Q | 90.2 | Very high | 87.7 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | trans | -65.8 | 124.8 | 179.8 | -169 | 174.6 | 17.7 | 0 | 0 | 111.1 | A115 V116 S126 | A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 3.27Å; A115-Q119 VanDerWaalsContact O-N 3.14Å; V116-Q119 PolarHBondContact O-N 2.66Å; Q119-S126 VanDerWaalsContact O-CA 3.29Å; Q119-S126 WeakPolarHBondContact O-CA 3.47Å; Q119-S126 WeakPolarHBondContact O-CB 3.29Å | ||
| 120 | R | 90.1 | Very high | 88.3 | Confident | 168 Ų | 168 | 69.7 Ų | 69.7 | 63% | 0.634 | 41% | 0.408 | S | S | * | . | trans | -101.1 | 152.4 | 172.3 | -65.1 | -177.8 | 173.1 | 167.2 | 2 | 110.2 | T118 D129 | T118-R120 PolarHBondContact O-N 3.05Å; R120-D129 IonicContact CZ-OD1 3.82Å; R120-D129 IonicContact CZ-OD2 3.33Å; R120-D129 IonicContact NE-OD2 2.82Å; R120-D129 PolarHBondContact NE-OD2 3.42Å; R120-D129 VanDerWaalsContact NH2-CG 3.32Å; R120-D129 IonicContact NH2-OD1 2.81Å; R120-D129 PolarHBondContact NH2-OD1 3.25Å; R120-D129 IonicContact NH2-OD2 3.06Å; R120-D129 PolarHBondContact NH2-OD2 3.08Å | ||
| 121 | S | 86.7 | Confident | 89 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | trans | -128 | 172.6 | 172.5 | 72.6 | 0 | 0 | 0 | 0 | 111 | V123 A124 | S121-V123 PolarHBondContact O-N 3.37Å; S121-V123 PolarHBondContact OG-N 2.92Å; S121-A124 PolarHBondContact N-O 3.18Å; S121-A124 PolarHBondContact OG-N 3.4Å; S121-A124 PolarHBondContact OG-O 2.96Å | ||
| 122 | S | 83.6 | Confident | 89.7 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 86% | 0.86 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -66.2 | -18.1 | 174.1 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 123 | V | 84.4 | Confident | 90.3 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -117.9 | -9.7 | -172.5 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | S121 F191 F192 | S121-V123 PolarHBondContact O-N 3.37Å; S121-V123 PolarHBondContact OG-N 2.92Å; V123-F191 HydrophobicContact CB-CB 4.4Å; V123-F192 PolarHBondContact O-N 3.29Å |
| 124 | A | 87 | Confident | 90.9 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | trans | -149.7 | 135.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S121 F192 | S121-A124 PolarHBondContact N-O 3.18Å; S121-A124 PolarHBondContact OG-N 3.4Å; S121-A124 PolarHBondContact OG-O 2.96Å; A124-F192 HydrophobicContact CB-CB 4.12Å; A124-F192 HydrophobicContact CB-CD2 3.8Å; A124-F192 HydrophobicContact CB-CG 4.3Å | ||
| 125 | P | 92.6 | Very high | 91.5 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | trans | -58.2 | 169 | 164.5 | -20.2 | 33.3 | 0 | 0 | 0 | 111.9 | D129 M130 W133 L189 | P125-D129 HydrophobicContact CB-CB 4.24Å; P125-M130 HydrophobicContact CB-CG 4.27Å; P125-W133 HydrophobicContact CB-CH2 3.75Å; P125-W133 HydrophobicContact CB-CZ3 4Å; P125-W133 HydrophobicContact CG-CH2 3.6Å; P125-W133 HydrophobicContact CG-CZ3 3.61Å; P125-L189 HydrophobicContact CG-CD2 3.71Å; P125-L189 HydrophobicContact CG-CG 4.5Å | ||
| 126 | S | 93.8 | Very high | 92 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -69.2 | 157.6 | 175.4 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | T118 Q119 A128 D129 M130 | T118-S126 WeakPolarHBondContact O-CB 3.44Å; Q119-S126 VanDerWaalsContact O-CA 3.29Å; Q119-S126 WeakPolarHBondContact O-CA 3.47Å; Q119-S126 WeakPolarHBondContact O-CB 3.29Å; S126-A128 PolarHBondContact O-N 3Å; S126-D129 WeakPolarHBondContact CB-OD2 3.32Å; S126-D129 PolarHBondContact N-OD2 3.4Å; S126-D129 PolarHBondContact O-N 3.26Å; S126-D129 PolarHBondContact OG-N 3.38Å; S126-D129 VanDerWaalsContact OG-N 3.09Å; S126-D129 PolarHBondContact OG-OD2 3.39Å; S126-M130 WeakPolarHBondContact O-CB 3.47Å; S126-M130 WeakPolarHBondContact O-CG 3.45Å; S126-M130 PolarHBondContact O-N 3.22Å | ||
| 127 | L | 93 | Very high | 92.6 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 173.3 | 175.9 | 65.5 | 0 | 0 | 0 | 111.2 | L3 V7 Y105 L112 A117 M130 L131 | L3-L127 HydrophobicContact CD2-CD1 4.33Å; L3-L127 HydrophobicContact CD2-CD2 3.56Å; L3-L127 HydrophobicContact CG-CD1 4.27Å; L3-L127 HydrophobicContact CG-CD2 4.33Å; V7-L127 HydrophobicContact CG2-CD1 3.72Å; Y105-L127 HydrophobicContact CD2-CD2 4.26Å; Y105-L127 HydrophobicContact CE2-CD2 4.41Å; L112-L127 HydrophobicContact CD2-CD2 3.78Å; A117-L127 WeakPolarHBondContact O-CB 3.09Å; A117-L127 PolarHBondContact O-N 3.03Å; L127-M130 PolarHBondContact O-N 3.36Å; L127-L131 HydrophobicContact CD1-CD1 4.17Å; L127-L131 HydrophobicContact CD1-CG 4.11Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 HydrophobicContact CG-CG 4.36Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.2Å; L127-L131 PolarHBondContact O-N 2.87Å |
| 128 | A | 93.3 | Very high | 93.1 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A117 T118 S126 M130 L131 E132 | A117-A128 PolarHBondContact O-N 3.27Å; T118-A128 HydrophobicContact CG2-CB 4.42Å; S126-A128 PolarHBondContact O-N 3Å; A128-M130 VanDerWaalsContact C-N 3.31Å; A128-M130 PolarHBondContact O-N 2.83Å; A128-L131 PolarHBondContact O-N 3.46Å; A128-E132 WeakPolarHBondContact O-CB 3.44Å; A128-E132 PolarHBondContact O-N 2.92Å |
| 129 | D | 95.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 177.2 | -60.5 | -52 | 0 | 0 | 0 | 110.6 | R120 P125 S126 L131 E132 W133 | R120-D129 IonicContact CZ-OD1 3.82Å; R120-D129 IonicContact CZ-OD2 3.33Å; R120-D129 IonicContact NE-OD2 2.82Å; R120-D129 PolarHBondContact NE-OD2 3.42Å; R120-D129 VanDerWaalsContact NH2-CG 3.32Å; R120-D129 IonicContact NH2-OD1 2.81Å; R120-D129 PolarHBondContact NH2-OD1 3.25Å; R120-D129 IonicContact NH2-OD2 3.06Å; R120-D129 PolarHBondContact NH2-OD2 3.08Å; P125-D129 HydrophobicContact CB-CB 4.24Å; S126-D129 WeakPolarHBondContact CB-OD2 3.32Å; S126-D129 PolarHBondContact N-OD2 3.4Å; S126-D129 PolarHBondContact O-N 3.26Å; S126-D129 PolarHBondContact OG-N 3.38Å; S126-D129 VanDerWaalsContact OG-N 3.09Å; S126-D129 PolarHBondContact OG-OD2 3.39Å; D129-L131 PolarHBondContact O-N 3Å; D129-E132 WeakPolarHBondContact O-CB 3.27Å; D129-E132 PolarHBondContact O-N 3Å; D129-W133 HydrophobicContact CB-CH2 4.46Å; D129-W133 HydrophobicContact CB-CZ2 3.95Å; D129-W133 PolarHBondContact O-N 3.06Å |
| 130 | M | 96.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 179.6 | -79.3 | -169.8 | -69 | 0 | 0 | 112.8 | V7 F11 P125 S126 L127 A128 W133 L134 L189 F192 | V7-M130 HydrophobicContact CG1-CB 3.94Å; V7-M130 HydrophobicContact CG1-CE 4.36Å; V7-M130 HydrophobicContact CG1-CG 4.41Å; V7-M130 HydrophobicContact CG1-SD 3.81Å; F11-M130 HydrophobicContact CE2-CB 3.85Å; F11-M130 HydrophobicContact CE2-CG 4.01Å; F11-M130 HydrophobicContact CE2-SD 4.43Å; F11-M130 HydrophobicContact CZ-CB 4.29Å; F11-M130 HydrophobicContact CZ-CG 4.48Å; F11-M130 VanDerWaalsContact CZ-O 3.3Å; F11-M130 WeakPolarHBondContact CZ-O 3.32Å; P125-M130 HydrophobicContact CB-CG 4.27Å; S126-M130 WeakPolarHBondContact O-CB 3.47Å; S126-M130 WeakPolarHBondContact O-CG 3.45Å; S126-M130 PolarHBondContact O-N 3.22Å; L127-M130 PolarHBondContact O-N 3.36Å; A128-M130 VanDerWaalsContact C-N 3.31Å; A128-M130 PolarHBondContact O-N 2.83Å; M130-W133 PolarHBondContact O-N 3.37Å; M130-L134 WeakPolarHBondContact O-CG 3.47Å; M130-L134 PolarHBondContact O-N 2.89Å; M130-L134 VanDerWaalsContact O-N 3.08Å; M130-L189 HydrophobicContact CG-CD2 3.74Å; M130-L189 HydrophobicContact SD-CD2 3.63Å; M130-F192 HydrophobicContact CE-CE2 4.34Å; M130-F192 HydrophobicContact CE-CZ 4.25Å; M130-F192 HydrophobicContact SD-CD1 3.95Å; M130-F192 HydrophobicContact SD-CE1 3.72Å; M130-F192 HydrophobicContact SD-CE2 4.32Å; M130-F192 HydrophobicContact SD-CG 4.34Å; M130-F192 HydrophobicContact SD-CZ 3.92Å |
| 131 | L | 95.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | 177 | -68.8 | 174.6 | 0 | 0 | 0 | 112.2 | V7 V101 L102 Y105 L127 A128 D129 Q135 | V7-L131 HydrophobicContact CG2-CD2 4.21Å; V101-L131 HydrophobicContact CG1-CD2 3.31Å; L102-L131 HydrophobicContact CD2-CD2 4.33Å; Y105-L131 HydrophobicContact CD1-CD1 4.36Å; Y105-L131 HydrophobicContact CD2-CD1 3.55Å; Y105-L131 HydrophobicContact CE2-CD1 3.96Å; Y105-L131 HydrophobicContact CG-CD1 3.77Å; L127-L131 HydrophobicContact CD1-CD1 4.17Å; L127-L131 HydrophobicContact CD1-CG 4.11Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 HydrophobicContact CG-CG 4.36Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.2Å; L127-L131 PolarHBondContact O-N 2.87Å; A128-L131 PolarHBondContact O-N 3.46Å; D129-L131 PolarHBondContact O-N 3Å; L131-Q135 WeakPolarHBondContact O-CG 3.42Å; L131-Q135 PolarHBondContact O-N 2.84Å; L131-Q135 PolarHBondContact O-NE2 2.87Å |
| 132 | E | 96.3 | Very high | 94.7 | Very high | 101 Ų | 101 | 43.2 Ų | 43.2 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 172.9 | -177.9 | 178.5 | -161 | 0 | 0 | 110.7 | A128 D129 L134 Q135 D136 | A128-E132 WeakPolarHBondContact O-CB 3.44Å; A128-E132 PolarHBondContact O-N 2.92Å; D129-E132 WeakPolarHBondContact O-CB 3.27Å; D129-E132 PolarHBondContact O-N 3Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.19Å; E132-Q135 WeakPolarHBondContact O-CB 3.42Å; E132-Q135 PolarHBondContact O-N 3.41Å; E132-D136 PolarHBondContact O-N 3.4Å |
| 133 | W | 97.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -35.3 | -178.5 | -60.4 | -10.7 | 0 | 0 | 0 | 113.1 | F11 P125 D129 M130 D136 A137 N185 R188 L189 | F11-W133 HydrophobicContact CE1-CB 4.42Å; F11-W133 HydrophobicContact CZ-CB 4.19Å; P125-W133 HydrophobicContact CB-CH2 3.75Å; P125-W133 HydrophobicContact CB-CZ3 4Å; P125-W133 HydrophobicContact CG-CH2 3.6Å; P125-W133 HydrophobicContact CG-CZ3 3.61Å; D129-W133 HydrophobicContact CB-CH2 4.46Å; D129-W133 HydrophobicContact CB-CZ2 3.95Å; D129-W133 PolarHBondContact O-N 3.06Å; M130-W133 PolarHBondContact O-N 3.37Å; W133-D136 PolarHBondContact O-N 3.38Å; W133-A137 WeakPolarHBondContact O-CB 3.39Å; W133-A137 PolarHBondContact O-N 3.29Å; W133-N185 HydrophobicContact CB-CB 4.36Å; W133-N185 HydrophobicContact CD2-CB 3.92Å; W133-N185 HydrophobicContact CE3-CB 3.77Å; W133-N185 HydrophobicContact CG-CB 4.18Å; W133-N185 VanDerWaalsContact CG-ND2 3.29Å; W133-N185 HydrophobicContact CZ3-CB 4.37Å; W133-R188 HydrophobicContact CH2-CB 4.11Å; W133-R188 HydrophobicContact CZ3-CB 4.11Å; W133-L189 HydrophobicContact CE3-CD1 4.08Å; W133-L189 HydrophobicContact CE3-CG 4.34Å; W133-L189 HydrophobicContact CZ3-CD1 4.26Å; W133-L189 HydrophobicContact CZ3-CD2 4.2Å; W133-L189 HydrophobicContact CZ3-CG 4.01Å |
| 134 | L | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 172.1 | -79.7 | 178.2 | 0 | 0 | 0 | 111.7 | F11 L14 V98 V101 M130 E132 A137 E138 | F11-L134 HydrophobicContact CD1-CD2 3.88Å; F11-L134 HydrophobicContact CD2-CD1 4.41Å; F11-L134 HydrophobicContact CD2-CD2 4.14Å; F11-L134 HydrophobicContact CD2-CG 4.27Å; F11-L134 HydrophobicContact CE1-CD2 3.74Å; F11-L134 HydrophobicContact CE1-CG 3.99Å; F11-L134 HydrophobicContact CE2-CD1 4Å; F11-L134 HydrophobicContact CE2-CD2 4.01Å; F11-L134 HydrophobicContact CE2-CG 3.7Å; F11-L134 HydrophobicContact CG-CD2 4.08Å; F11-L134 HydrophobicContact CZ-CD1 4.35Å; F11-L134 HydrophobicContact CZ-CD2 3.82Å; F11-L134 HydrophobicContact CZ-CG 3.55Å; L14-L134 HydrophobicContact CD2-CD2 4.21Å; V98-L134 HydrophobicContact CG2-CB 3.99Å; V98-L134 HydrophobicContact CG2-CD2 4.49Å; V98-L134 WeakPolarHBondContact CG2-O 3.48Å; V101-L134 HydrophobicContact CG1-CD1 4.27Å; M130-L134 WeakPolarHBondContact O-CG 3.47Å; M130-L134 PolarHBondContact O-N 2.89Å; M130-L134 VanDerWaalsContact O-N 3.08Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.19Å; L134-A137 PolarHBondContact O-N 2.94Å; L134-E138 PolarHBondContact O-N 3.37Å |
| 135 | Q | 97.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -39.4 | 176.8 | -72.9 | 173.3 | 85.2 | 0 | 0 | 112.2 | V98 L102 L131 E132 A137 E138 R139 | V98-Q135 HydrophobicContact CG1-CG 4.01Å; L102-Q135 HydrophobicContact CD1-CG 3.91Å; L102-Q135 HydrophobicContact CD2-CG 4.44Å; L131-Q135 WeakPolarHBondContact O-CG 3.42Å; L131-Q135 PolarHBondContact O-N 2.84Å; L131-Q135 PolarHBondContact O-NE2 2.87Å; E132-Q135 WeakPolarHBondContact O-CB 3.42Å; E132-Q135 PolarHBondContact O-N 3.41Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.28Å; Q135-E138 PolarHBondContact O-N 3.33Å; Q135-R139 WeakPolarHBondContact O-CB 3.4Å; Q135-R139 VanDerWaalsContact O-CG 3.24Å; Q135-R139 WeakPolarHBondContact O-CG 3.35Å; Q135-R139 PolarHBondContact O-N 3.36Å |
| 136 | D | 97.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 43 Ų | 43 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.8 | -71.9 | -18.6 | 0 | 0 | 0 | 112 | E132 W133 R139 F140 | E132-D136 PolarHBondContact O-N 3.4Å; W133-D136 PolarHBondContact O-N 3.38Å; D136-R139 PolarHBondContact O-N 2.94Å; D136-R139 IonicContact OD1-CZ 3.94Å; D136-R139 IonicContact OD1-NH1 2.77Å; D136-R139 PolarHBondContact OD1-NH1 3.34Å; D136-F140 WeakPolarHBondContact O-CB 3.4Å; D136-F140 PolarHBondContact O-N 3.48Å |
| 137 | A | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L14 W133 L134 Q135 R139 F140 Y141 I182 | L14-A137 HydrophobicContact CD1-CB 3.85Å; L14-A137 HydrophobicContact CD2-CB 3.73Å; L14-A137 HydrophobicContact CG-CB 4.48Å; W133-A137 WeakPolarHBondContact O-CB 3.39Å; W133-A137 PolarHBondContact O-N 3.29Å; L134-A137 PolarHBondContact O-N 2.94Å; Q135-A137 VanDerWaalsContact C-N 3.33Å; Q135-A137 PolarHBondContact O-N 3.28Å; A137-R139 PolarHBondContact O-N 3.05Å; A137-F140 WeakPolarHBondContact O-CB 3.45Å; A137-F140 PolarHBondContact O-N 2.86Å; A137-Y141 WeakPolarHBondContact O-CD2 3.27Å; A137-Y141 PolarHBondContact O-N 2.94Å; A137-I182 HydrophobicContact CB-CD1 4.24Å; A137-I182 HydrophobicContact CB-CG1 4.29Å |
| 138 | E | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 175.4 | -179 | -84 | 155.1 | 0 | 0 | 111.7 | V94 V98 L134 Q135 F140 Y141 R142 | V94-E138 HydrophobicContact CG1-CB 4.28Å; V98-E138 HydrophobicContact CB-CB 4.35Å; V98-E138 HydrophobicContact CG1-CB 4.39Å; V98-E138 HydrophobicContact CG2-CB 4.01Å; L134-E138 PolarHBondContact O-N 3.37Å; Q135-E138 PolarHBondContact O-N 3.33Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.18Å; E138-Y141 PolarHBondContact O-N 2.81Å; E138-R142 VanDerWaalsContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 PolarHBondContact O-N 3.26Å |
| 139 | R | 97.5 | Very high | 97.4 | Very high | 113 Ų | 113 | 47 Ų | 47 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 177 | -71.1 | 168.2 | -171 | 141.6 | 3.3 | 111.6 | Q135 D136 A137 R143 | Q135-R139 WeakPolarHBondContact O-CB 3.4Å; Q135-R139 VanDerWaalsContact O-CG 3.24Å; Q135-R139 WeakPolarHBondContact O-CG 3.35Å; Q135-R139 PolarHBondContact O-N 3.36Å; D136-R139 PolarHBondContact O-N 2.94Å; D136-R139 IonicContact OD1-CZ 3.94Å; D136-R139 IonicContact OD1-NH1 2.77Å; D136-R139 PolarHBondContact OD1-NH1 3.34Å; A137-R139 PolarHBondContact O-N 3.05Å; R139-R143 VanDerWaalsContact O-CB 3.3Å; R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 PolarHBondContact O-N 3.31Å |
| 140 | F | 97.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -57.6 | 176.2 | 168.9 | -97.1 | 0 | 0 | 0 | 111.3 | D136 A137 E138 R142 R143 Q144 A178 E179 I182 | D136-F140 WeakPolarHBondContact O-CB 3.4Å; D136-F140 PolarHBondContact O-N 3.48Å; A137-F140 WeakPolarHBondContact O-CB 3.45Å; A137-F140 PolarHBondContact O-N 2.86Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.18Å; F140-R142 VanDerWaalsContact C-N 3.29Å; F140-R142 PolarHBondContact O-N 3.32Å; F140-R143 PolarHBondContact O-N 2.93Å; F140-Q144 HydrophobicContact CD1-CG 4.32Å; F140-Q144 HydrophobicContact CD2-CG 3.87Å; F140-Q144 HydrophobicContact CE1-CG 4.06Å; F140-Q144 HydrophobicContact CE2-CG 3.59Å; F140-Q144 HydrophobicContact CG-CG 4.24Å; F140-Q144 HydrophobicContact CZ-CG 3.69Å; F140-Q144 WeakPolarHBondContact O-CB 3.4Å; F140-Q144 VanDerWaalsContact O-CG 3.24Å; F140-Q144 WeakPolarHBondContact O-CG 3.47Å; F140-Q144 PolarHBondContact O-N 3.44Å; F140-A178 HydrophobicContact CD2-CB 3.57Å; F140-A178 HydrophobicContact CE2-CB 3.77Å; F140-E179 HydrophobicContact CE2-CB 4.48Å; F140-E179 HydrophobicContact CZ-CB 4.07Å; F140-I182 HydrophobicContact CB-CD1 3.87Å; F140-I182 HydrophobicContact CD1-CD1 3.38Å; F140-I182 HydrophobicContact CD2-CD1 4.36Å; F140-I182 HydrophobicContact CE1-CD1 3.96Å; F140-I182 HydrophobicContact CG-CD1 3.62Å |
| 141 | Y | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | -178.1 | -70.9 | -67.3 | 0 | 0 | 0 | 112.3 | L14 R18 W21 V94 A137 E138 F145 | L14-Y141 HydrophobicContact CD1-CD2 4.49Å; L14-Y141 HydrophobicContact CD1-CE2 3.65Å; R18-Y141 VanDerWaalsContact CA-OH 3.3Å; R18-Y141 WeakPolarHBondContact CA-OH 3.28Å; R18-Y141 WeakPolarHBondContact CB-OH 3.3Å; R18-Y141 WeakPolarHBondContact CG-OH 3.36Å; W21-Y141 HydrophobicContact CB-CE1 3.91Å; W21-Y141 AromaticContact CD2-CD1 3.56Å; W21-Y141 HydrophobicContact CD2-CD1 3.56Å; W21-Y141 AromaticContact CD2-CE1 3.7Å; W21-Y141 HydrophobicContact CD2-CE1 3.7Å; W21-Y141 AromaticContact CE2-CD1 3.95Å; W21-Y141 AromaticContact CE3-CD1 3.58Å; W21-Y141 HydrophobicContact CE3-CD1 3.58Å; W21-Y141 HydrophobicContact CE3-CE1 4.08Å; W21-Y141 HydrophobicContact CG-CD1 4.01Å; W21-Y141 AromaticContact CG-CE1 3.6Å; W21-Y141 HydrophobicContact CG-CE1 3.6Å; W21-Y141 HydrophobicContact CH2-CD1 4.39Å; W21-Y141 HydrophobicContact CZ2-CD1 4.38Å; W21-Y141 HydrophobicContact CZ3-CD1 4Å; V94-Y141 HydrophobicContact CB-CD2 4.43Å; V94-Y141 HydrophobicContact CG1-CD2 4.12Å; V94-Y141 HydrophobicContact CG2-CD2 4.08Å; V94-Y141 HydrophobicContact CG2-CE2 4.3Å; A137-Y141 WeakPolarHBondContact O-CD2 3.27Å; A137-Y141 PolarHBondContact O-N 2.94Å; E138-Y141 PolarHBondContact O-N 2.81Å; Y141-F145 WeakPolarHBondContact O-CB 3.08Å; Y141-F145 PolarHBondContact O-N 3.15Å |
| 142 | R | 97.9 | Very high | 97.6 | Very high | 133 Ų | 133 | 51.3 Ų | 51.3 | 50% | 0.502 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.4 | -168.6 | 179.8 | 74.4 | 133.8 | 1.8 | 111.5 | E138 F140 L146 | E138-R142 VanDerWaalsContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 PolarHBondContact O-N 3.26Å; F140-R142 VanDerWaalsContact C-N 3.29Å; F140-R142 PolarHBondContact O-N 3.32Å; R142-L146 HydrophobicContact CG-CD1 4.31Å; R142-L146 WeakPolarHBondContact O-CB 3.45Å; R142-L146 VanDerWaalsContact O-CG 3.27Å; R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.11Å |
| 143 | R | 97.8 | Very high | 97.5 | Very high | 157 Ų | 157 | 52.8 Ų | 52.8 | 59% | 0.592 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.1 | -49.5 | 178.2 | -180 | -180 | 173.9 | -177.5 | -0.3 | 111.5 | R139 F140 F145 L146 Q147 | R139-R143 VanDerWaalsContact O-CB 3.3Å; R139-R143 WeakPolarHBondContact O-CB 3.37Å; R139-R143 PolarHBondContact O-N 3.31Å; F140-R143 PolarHBondContact O-N 2.93Å; R143-F145 VanDerWaalsContact C-N 3.32Å; R143-F145 PolarHBondContact O-N 3.28Å; R143-L146 PolarHBondContact O-N 3.37Å; R143-Q147 HydrophobicContact CG-CG 4.44Å; R143-Q147 WeakPolarHBondContact O-CG 3.41Å; R143-Q147 PolarHBondContact O-N 3.23Å |
| 144 | Q | 97.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | -179 | -71.2 | -71.3 | -58.2 | 0 | 0 | 111.7 | W21 F140 R148 L173 S175 | W21-Q144 HydrophobicContact CH2-CB 4.23Å; W21-Q144 HydrophobicContact CZ2-CB 3.71Å; F140-Q144 HydrophobicContact CD1-CG 4.32Å; F140-Q144 HydrophobicContact CD2-CG 3.87Å; F140-Q144 HydrophobicContact CE1-CG 4.06Å; F140-Q144 HydrophobicContact CE2-CG 3.59Å; F140-Q144 HydrophobicContact CG-CG 4.24Å; F140-Q144 HydrophobicContact CZ-CG 3.69Å; F140-Q144 WeakPolarHBondContact O-CB 3.4Å; F140-Q144 VanDerWaalsContact O-CG 3.24Å; F140-Q144 WeakPolarHBondContact O-CG 3.47Å; F140-Q144 PolarHBondContact O-N 3.44Å; Q144-R148 WeakPolarHBondContact O-CB 3.5Å; Q144-R148 WeakPolarHBondContact O-CG 3.3Å; Q144-R148 PolarHBondContact O-N 3.46Å; Q144-R148 VanDerWaalsContact O-N 3.16Å; Q144-L173 PolarHBondContact NE2-O 3.23Å; Q144-L173 PolarHBondContact OE1-O 3.23Å; Q144-S175 PolarHBondContact NE2-OG 3.38Å |
| 145 | F | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.3 | 175.2 | -98.3 | 0 | 0 | 0 | 111.9 | W21 M84 L87 Q88 Y141 R143 R148 K149 | W21-F145 HydrophobicContact CH2-CB 3.96Å; M84-F145 HydrophobicContact CE-CD2 3.56Å; M84-F145 HydrophobicContact CE-CE2 3.43Å; M84-F145 VanDerWaalsContact CE-CE2 3.43Å; M84-F145 HydrophobicContact CE-CG 4.46Å; M84-F145 HydrophobicContact CE-CZ 4.25Å; M84-F145 WeakPolarHBondContact O-CE2 3.36Å; L87-F145 HydrophobicContact CB-CD2 4.08Å; L87-F145 HydrophobicContact CB-CE2 4.48Å; Q88-F145 HydrophobicContact CB-CD2 4.32Å; Q88-F145 HydrophobicContact CB-CE2 3.45Å; Q88-F145 VanDerWaalsContact CB-CE2 3.45Å; Q88-F145 HydrophobicContact CB-CZ 3.62Å; Q88-F145 HydrophobicContact CG-CE1 4.34Å; Q88-F145 HydrophobicContact CG-CE2 4.03Å; Q88-F145 HydrophobicContact CG-CZ 3.69Å; Y141-F145 WeakPolarHBondContact O-CB 3.08Å; Y141-F145 PolarHBondContact O-N 3.15Å; R143-F145 VanDerWaalsContact C-N 3.32Å; R143-F145 PolarHBondContact O-N 3.28Å; F145-R148 PolarHBondContact O-N 2.96Å; F145-K149 HydrophobicContact CE1-CB 4.4Å; F145-K149 HydrophobicContact CE1-CD 3.73Å; F145-K149 HydrophobicContact CZ-CD 3.84Å; F145-K149 VanDerWaalsContact O-CB 3.27Å; F145-K149 WeakPolarHBondContact O-CB 3.43Å; F145-K149 PolarHBondContact O-N 3.15Å |
| 146 | L | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | -178.3 | -75.5 | 172.1 | 0 | 0 | 0 | 111.7 | R142 R143 R148 K149 T150 | R142-L146 HydrophobicContact CG-CD1 4.31Å; R142-L146 WeakPolarHBondContact O-CB 3.45Å; R142-L146 VanDerWaalsContact O-CG 3.27Å; R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.11Å; R143-L146 PolarHBondContact O-N 3.37Å; L146-R148 PolarHBondContact O-N 3.02Å; L146-K149 PolarHBondContact O-N 3.46Å; L146-T150 WeakPolarHBondContact O-CB 3.49Å; L146-T150 PolarHBondContact O-N 2.91Å; L146-T150 PolarHBondContact O-OG1 2.85Å |
| 147 | Q | 98 | Very high | 96.7 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 177.7 | -72.4 | 174.5 | -55.1 | 0 | 0 | 111.7 | R143 T150 L151 L173 | R143-Q147 HydrophobicContact CG-CG 4.44Å; R143-Q147 WeakPolarHBondContact O-CG 3.41Å; R143-Q147 PolarHBondContact O-N 3.23Å; Q147-T150 PolarHBondContact O-N 3.38Å; Q147-L151 PolarHBondContact O-N 2.9Å; Q147-L173 HydrophobicContact CB-CD1 4.36Å; Q147-L173 HydrophobicContact CB-CD2 4.19Å |
| 148 | R | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.3 | -76.3 | 176 | 164.9 | 76.4 | -4.2 | 113 | M84 Q144 F145 L146 T150 L151 L152 W170 L173 D174 | M84-R148 HydrophobicContact CE-CB 4.07Å; M84-R148 HydrophobicContact SD-CB 4.17Å; Q144-R148 WeakPolarHBondContact O-CB 3.5Å; Q144-R148 WeakPolarHBondContact O-CG 3.3Å; Q144-R148 PolarHBondContact O-N 3.46Å; Q144-R148 VanDerWaalsContact O-N 3.16Å; F145-R148 PolarHBondContact O-N 2.96Å; L146-R148 PolarHBondContact O-N 3.02Å; R148-T150 VanDerWaalsContact C-N 3.34Å; R148-L151 PolarHBondContact O-N 2.88Å; R148-L152 PolarHBondContact O-N 2.87Å; R148-W170 HydrophobicContact CB-CE3 4.43Å; R148-W170 HydrophobicContact CB-CH2 3.96Å; R148-W170 HydrophobicContact CB-CZ3 3.6Å; R148-W170 VanDerWaalsContact CD-CH2 3.45Å; R148-W170 HydrophobicContact CG-CE3 4Å; R148-W170 HydrophobicContact CG-CH2 3.72Å; R148-W170 HydrophobicContact CG-CZ2 4.39Å; R148-W170 HydrophobicContact CG-CZ3 3.5Å; R148-W170 VanDerWaalsContact CG-CZ3 3.5Å; R148-L173 HydrophobicContact CB-CD1 4.31Å; R148-L173 HydrophobicContact CG-CD1 3.59Å; R148-D174 IonicContact CZ-OD1 2.67Å; R148-D174 IonicContact NH2-OD1 3.94Å; R148-D174 PolarHBondContact NH2-OD1 3.47Å |
| 149 | K | 97.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 69.7 Ų | 69.7 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.3 | -174.2 | 174.7 | -177.4 | 173.5 | 0 | 110.8 | M84 F145 L146 L152 L153 | M84-K149 HydrophobicContact CE-CB 3.97Å; F145-K149 HydrophobicContact CE1-CB 4.4Å; F145-K149 HydrophobicContact CE1-CD 3.73Å; F145-K149 HydrophobicContact CZ-CD 3.84Å; F145-K149 VanDerWaalsContact O-CB 3.27Å; F145-K149 WeakPolarHBondContact O-CB 3.43Å; F145-K149 PolarHBondContact O-N 3.15Å; L146-K149 PolarHBondContact O-N 3.46Å; K149-L152 PolarHBondContact O-N 3.16Å; K149-L153 HydrophobicContact CG-CD1 4.18Å; K149-L153 WeakPolarHBondContact O-CG 3.24Å; K149-L153 PolarHBondContact O-N 3.03Å |
| 150 | T | 97.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 68.6 Ų | 68.6 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | L146 Q147 R148 L152 L153 T154 | L146-T150 WeakPolarHBondContact O-CB 3.49Å; L146-T150 PolarHBondContact O-N 2.91Å; L146-T150 PolarHBondContact O-OG1 2.85Å; Q147-T150 PolarHBondContact O-N 3.38Å; R148-T150 VanDerWaalsContact C-N 3.34Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 3.31Å; T150-L153 PolarHBondContact O-N 3.4Å; T150-L153 VanDerWaalsContact O-N 3.12Å; T150-T154 WeakPolarHBondContact O-CG2 3.3Å; T150-T154 PolarHBondContact O-N 3.08Å; T150-T154 VanDerWaalsContact O-N 3.08Å |
| 151 | L | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 71 Ų | 71 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.7 | -51.1 | 175.8 | 175.2 | 59.9 | 0 | 0 | 0 | 111.1 | Q147 R148 L153 T154 L155 A169 W170 L173 | Q147-L151 PolarHBondContact O-N 2.9Å; R148-L151 PolarHBondContact O-N 2.88Å; L151-L153 VanDerWaalsContact C-N 3.28Å; L151-L153 PolarHBondContact O-N 3.46Å; L151-T154 PolarHBondContact O-N 3.38Å; L151-T154 PolarHBondContact O-OG1 3.05Å; L151-L155 PolarHBondContact O-N 3Å; L151-A169 HydrophobicContact CD1-CB 3.85Å; L151-A169 HydrophobicContact CD2-CB 4.01Å; L151-W170 HydrophobicContact CD2-CB 4.14Å; L151-W170 HydrophobicContact CD2-CE3 4.12Å; L151-L173 HydrophobicContact CB-CD1 4.22Å; L151-L173 HydrophobicContact CD2-CD1 3.83Å |
| 152 | L | 96.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 73.8 Ų | 73.8 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62 | -32.7 | 179.4 | -75.5 | 176.6 | 0 | 0 | 0 | 114.2 | M32 L80 M84 R148 K149 T150 T154 L155 | M32-L152 HydrophobicContact CE-CD2 3.47Å; M32-L152 VanDerWaalsContact CE-CD2 3.47Å; M32-L152 HydrophobicContact CE-CG 4.21Å; L80-L152 HydrophobicContact CB-CD1 4.32Å; L80-L152 HydrophobicContact CB-CD2 4.07Å; L80-L152 HydrophobicContact CD1-CD2 3.98Å; L80-L152 HydrophobicContact CG-CD2 4.49Å; M84-L152 HydrophobicContact CG-CD1 3.15Å; M84-L152 HydrophobicContact SD-CD1 3.59Å; M84-L152 VanDerWaalsContact SD-CD1 3.59Å; R148-L152 PolarHBondContact O-N 2.87Å; K149-L152 PolarHBondContact O-N 3.16Å; T150-L152 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 3.31Å; L152-T154 VanDerWaalsContact C-N 3.29Å; L152-L155 HydrophobicContact CD2-CD1 3.91Å |
| 153 | L | 95.3 | Very high | 95.3 | Very high | 133 Ų | 133 | 67.5 Ų | 67.5 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.1 | -24.7 | 175.6 | -71.4 | 172.5 | 0 | 0 | 0 | 112.6 | K149 T150 L151 | K149-L153 HydrophobicContact CG-CD1 4.18Å; K149-L153 WeakPolarHBondContact O-CG 3.24Å; K149-L153 PolarHBondContact O-N 3.03Å; T150-L153 PolarHBondContact O-N 3.4Å; T150-L153 VanDerWaalsContact O-N 3.12Å; L151-L153 VanDerWaalsContact C-N 3.28Å; L151-L153 PolarHBondContact O-N 3.46Å |
| 154 | T | 94.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -79.2 | -26.7 | 177 | 62 | 0 | 0 | 0 | 0 | 113.1 | T150 L151 L152 R156 Q162 | T150-T154 WeakPolarHBondContact O-CG2 3.3Å; T150-T154 PolarHBondContact O-N 3.08Å; T150-T154 VanDerWaalsContact O-N 3.08Å; L151-T154 PolarHBondContact O-N 3.38Å; L151-T154 PolarHBondContact O-OG1 3.05Å; L152-T154 VanDerWaalsContact C-N 3.29Å; T154-R156 PolarHBondContact O-N 3.01Å; T154-Q162 PolarHBondContact O-OE1 3.29Å |
| 155 | L | 94.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | trans | -65.4 | 117.9 | -178.1 | -65.9 | 175.7 | 0 | 0 | 0 | 111.3 | L35 L77 L151 L152 Q162 A166 | L35-L155 HydrophobicContact CD2-CD1 3.75Å; L77-L155 HydrophobicContact CD2-CB 4.32Å; L77-L155 HydrophobicContact CD2-CD1 4.19Å; L151-L155 PolarHBondContact O-N 3Å; L152-L155 HydrophobicContact CD2-CD1 3.91Å; L155-Q162 HydrophobicContact CD2-CB 4.11Å; L155-A166 HydrophobicContact CD1-CB 4.31Å; L155-A166 HydrophobicContact CD2-CB 4.04Å | ||
| 156 | R | 92.1 | Very high | 94.9 | Very high | 164 Ų | 164 | 63.4 Ų | 63.4 | 62% | 0.619 | 32% | 0.322 | S | S | * | . | trans | -100.5 | 140 | 173.2 | -59.7 | -173.1 | 178.3 | -167.4 | 0.2 | 110.8 | T154 D158 D159 | T154-R156 PolarHBondContact O-N 3.01Å; R156-D158 WeakPolarHBondContact CB-OD1 3.27Å; R156-D158 PolarHBondContact O-N 3.49Å; R156-D159 HydrophobicContact CB-CB 3.93Å; R156-D159 PolarHBondContact O-N 3.45Å | ||
| 157 | R | 92.4 | Very high | 94.9 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 48% | 0.475 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25 | -177.6 | 72 | 175.4 | -168.5 | 172 | 1.5 | 113.8 | L70 V73 D74 | L70-R157 HydrophobicContact CD2-CG 4.35Å; L70-R157 WeakPolarHBondContact CD2-O 3.39Å; V73-R157 HydrophobicContact CG1-CB 3.84Å; D74-R157 WeakPolarHBondContact OD1-CD 3.18Å; D74-R157 IonicContact OD2-NH1 3.85Å; D74-R157 PolarHBondContact OD2-NH1 2.88Å; D74-R157 VanDerWaalsContact OD2-NH1 3.14Å |
| 158 | D | 89.3 | Confident | 94.8 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -8.5 | -176.8 | 57.1 | -35.8 | 0 | 0 | 0 | 113.2 | R156 R160 | R156-D158 WeakPolarHBondContact CB-OD1 3.27Å; R156-D158 PolarHBondContact O-N 3.49Å; D158-R160 PolarHBondContact O-N 3.21Å |
| 159 | D | 92.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 63.2 Ų | 63.2 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -90.5 | 93 | 178 | -168.9 | -27.3 | 0 | 0 | 0 | 111.4 | R156 A161 Q162 L163 | R156-D159 HydrophobicContact CB-CB 3.93Å; R156-D159 PolarHBondContact O-N 3.45Å; D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 3.32Å; D159-A161 PolarHBondContact OD1-N 3.43Å; D159-A161 VanDerWaalsContact OD1-N 3.11Å; D159-Q162 HydrophobicContact CB-CB 4.09Å; D159-Q162 HydrophobicContact CB-CG 4.07Å; D159-Q162 VanDerWaalsContact CG-CD 3.48Å; D159-Q162 VanDerWaalsContact CG-CG 3.42Å; D159-Q162 PolarHBondContact O-N 2.91Å; D159-Q162 PolarHBondContact OD1-N 2.92Å; D159-Q162 VanDerWaalsContact OD1-N 3.16Å; D159-Q162 VanDerWaalsContact OD2-CG 3.31Å; D159-Q162 WeakPolarHBondContact OD2-CG 3.47Å; D159-Q162 PolarHBondContact OD2-NE2 3.05Å; D159-L163 WeakPolarHBondContact O-CG 3.44Å; D159-L163 PolarHBondContact O-N 2.94Å; D159-L163 VanDerWaalsContact O-N 3.07Å | ||
| 160 | R | 91.9 | Very high | 94.7 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -36.3 | -177.9 | -56.4 | 174.2 | -170.3 | 156.4 | 1 | 113 | M42 S46 D158 L163 E164 | M42-R160 HydrophobicContact CB-CG 3.89Å; M42-R160 HydrophobicContact CE-CG 4.17Å; S46-R160 PolarHBondContact OG-NH1 3.09Å; D158-R160 PolarHBondContact O-N 3.21Å; R160-L163 PolarHBondContact O-N 3.01Å; R160-E164 WeakPolarHBondContact O-CB 3.34Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.06Å |
| 161 | A | 92.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.9 | -40.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | D159 G165 | D159-A161 VanDerWaalsContact C-N 3.27Å; D159-A161 PolarHBondContact O-N 3.32Å; D159-A161 PolarHBondContact OD1-N 3.43Å; D159-A161 VanDerWaalsContact OD1-N 3.11Å; A161-G165 PolarHBondContact O-N 2.91Å; A161-G165 VanDerWaalsContact O-N 3.09Å |
| 162 | Q | 94 | Very high | 94.6 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 173.2 | -71 | 178.6 | 6.1 | 0 | 0 | 112 | T154 L155 D159 G165 A166 | T154-Q162 PolarHBondContact O-OE1 3.29Å; L155-Q162 HydrophobicContact CD2-CB 4.11Å; D159-Q162 HydrophobicContact CB-CB 4.09Å; D159-Q162 HydrophobicContact CB-CG 4.07Å; D159-Q162 VanDerWaalsContact CG-CD 3.48Å; D159-Q162 VanDerWaalsContact CG-CG 3.42Å; D159-Q162 PolarHBondContact O-N 2.91Å; D159-Q162 PolarHBondContact OD1-N 2.92Å; D159-Q162 VanDerWaalsContact OD1-N 3.16Å; D159-Q162 VanDerWaalsContact OD2-CG 3.31Å; D159-Q162 WeakPolarHBondContact OD2-CG 3.47Å; D159-Q162 PolarHBondContact OD2-NE2 3.05Å; Q162-G165 PolarHBondContact O-N 3.29Å; Q162-A166 PolarHBondContact O-N 2.81Å |
| 163 | L | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 178.9 | -62.5 | 175 | 0 | 0 | 0 | 111.1 | L35 G36 M42 V73 D159 R160 G165 A166 | L35-L163 HydrophobicContact CD1-CD2 3.76Å; L35-L163 HydrophobicContact CD2-CD2 3.8Å; L35-L163 HydrophobicContact CG-CD2 3.64Å; G36-L163 WeakPolarHBondContact CA-O 3.41Å; G36-L163 PolarHBondContact N-O 2.99Å; M42-L163 HydrophobicContact SD-CD1 3.85Å; V73-L163 HydrophobicContact CG1-CD1 4.21Å; V73-L163 HydrophobicContact CG1-CD2 4.11Å; V73-L163 HydrophobicContact CG2-CD1 3.92Å; D159-L163 WeakPolarHBondContact O-CG 3.44Å; D159-L163 PolarHBondContact O-N 2.94Å; D159-L163 VanDerWaalsContact O-N 3.07Å; R160-L163 PolarHBondContact O-N 3.01Å; L163-G165 VanDerWaalsContact C-N 3.25Å; L163-G165 PolarHBondContact O-N 3.27Å; L163-A166 VanDerWaalsContact O-CB 3.25Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 2.62Å; L163-A166 VanDerWaalsContact O-N 3.1Å |
| 164 | E | 95 | Very high | 94.5 | Very high | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.4 | -39.5 | 175.8 | -78 | 179 | -164 | 0 | 0 | 112.4 | Q40 K43 R160 | Q40-E164 HydrophobicContact CG-CG 3.95Å; K43-E164 VanDerWaalsContact CB-OE1 3.26Å; K43-E164 WeakPolarHBondContact CB-OE1 3.37Å; K43-E164 WeakPolarHBondContact CD-OE1 3.49Å; K43-E164 IonicContact NZ-OE1 3.83Å; K43-E164 IonicContact NZ-OE2 3.14Å; K43-E164 PolarHBondContact NZ-OE2 2.82Å; R160-E164 WeakPolarHBondContact O-CB 3.34Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.06Å |
| 165 | G | 95.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -83.9 | -7.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A161 Q162 L163 A167 N168 A169 | A161-G165 PolarHBondContact O-N 2.91Å; A161-G165 VanDerWaalsContact O-N 3.09Å; Q162-G165 PolarHBondContact O-N 3.29Å; L163-G165 VanDerWaalsContact C-N 3.25Å; L163-G165 PolarHBondContact O-N 3.27Å; G165-A167 PolarHBondContact O-N 2.89Å; G165-N168 PolarHBondContact O-N 2.99Å; G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.77Å |
| 166 | A | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M32 L35 L155 Q162 L163 A169 W170 | M32-A166 HydrophobicContact SD-CB 4.37Å; L35-A166 HydrophobicContact CD2-CB 3.93Å; L155-A166 HydrophobicContact CD1-CB 4.31Å; L155-A166 HydrophobicContact CD2-CB 4.04Å; Q162-A166 PolarHBondContact O-N 2.81Å; L163-A166 VanDerWaalsContact O-CB 3.25Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 2.62Å; L163-A166 VanDerWaalsContact O-N 3.1Å; A166-A169 PolarHBondContact O-N 3.07Å; A166-W170 WeakPolarHBondContact O-CB 3.49Å; A166-W170 PolarHBondContact O-N 3.49Å |
| 167 | A | 96.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M32 G165 W170 R171 | M32-A167 HydrophobicContact CB-CB 4.22Å; G165-A167 PolarHBondContact O-N 2.89Å; A167-W170 PolarHBondContact O-N 3.19Å; A167-R171 WeakPolarHBondContact O-CG 3.44Å; A167-R171 PolarHBondContact O-N 3.29Å |
| 168 | N | 97 | Very high | 94.3 | Very high | 100 Ų | 100 | 56.8 Ų | 56.8 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.2 | -68 | -26.8 | 0 | 0 | 0 | 111.2 | G165 W170 R171 S172 | G165-N168 PolarHBondContact O-N 2.99Å; N168-W170 VanDerWaalsContact C-N 3.33Å; N168-W170 PolarHBondContact O-N 3.45Å; N168-R171 PolarHBondContact O-N 2.97Å; N168-R171 PolarHBondContact OD1-NH1 3.49Å; N168-R171 PolarHBondContact OD1-NH2 3.35Å; N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 3.4Å |
| 169 | A | 96.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L151 G165 A166 S172 L173 | L151-A169 HydrophobicContact CD1-CB 3.85Å; L151-A169 HydrophobicContact CD2-CB 4.01Å; G165-A169 WeakPolarHBondContact O-CB 3.32Å; G165-A169 PolarHBondContact O-N 2.77Å; A166-A169 PolarHBondContact O-N 3.07Å; A169-S172 PolarHBondContact O-N 3.15Å; A169-S172 PolarHBondContact O-OG 3.36Å; A169-L173 WeakPolarHBondContact O-CG 3.26Å |
| 170 | W | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -50.8 | 176.6 | -180 | -99.6 | 0 | 0 | 0 | 112.5 | L25 C28 D29 M32 M84 R148 L151 A166 A167 N168 S172 L173 | L25-W170 HydrophobicContact CD2-CH2 4.34Å; L25-W170 HydrophobicContact CD2-CZ2 3.66Å; C28-W170 HydrophobicContact CB-CH2 4.13Å; C28-W170 HydrophobicContact CB-CZ2 3.41Å; C28-W170 VanDerWaalsContact CB-CZ2 3.41Å; D29-W170 VanDerWaalsContact OD1-CD1 3.29Å; D29-W170 PolarHBondContact OD1-NE1 3.02Å; M32-W170 HydrophobicContact CB-CB 4.48Å; M32-W170 HydrophobicContact CE-CB 4.42Å; M32-W170 HydrophobicContact CE-CD2 3.67Å; M32-W170 HydrophobicContact CE-CE3 3.22Å; M32-W170 HydrophobicContact CE-CG 4.2Å; M32-W170 HydrophobicContact CE-CH2 4.33Å; M32-W170 HydrophobicContact CE-CZ3 3.58Å; M32-W170 HydrophobicContact CG-CB 3.96Å; M32-W170 HydrophobicContact CG-CD2 4.04Å; M32-W170 HydrophobicContact CG-CG 3.77Å; M32-W170 HydrophobicContact SD-CB 4.16Å; M32-W170 HydrophobicContact SD-CD2 4.42Å; M32-W170 HydrophobicContact SD-CE3 4.38Å; M32-W170 HydrophobicContact SD-CG 4.35Å; M84-W170 HydrophobicContact SD-CH2 4.29Å; R148-W170 HydrophobicContact CB-CE3 4.43Å; R148-W170 HydrophobicContact CB-CH2 3.96Å; R148-W170 HydrophobicContact CB-CZ3 3.6Å; R148-W170 VanDerWaalsContact CD-CH2 3.45Å; R148-W170 HydrophobicContact CG-CE3 4Å; R148-W170 HydrophobicContact CG-CH2 3.72Å; R148-W170 HydrophobicContact CG-CZ2 4.39Å; R148-W170 HydrophobicContact CG-CZ3 3.5Å; R148-W170 VanDerWaalsContact CG-CZ3 3.5Å; L151-W170 HydrophobicContact CD2-CB 4.14Å; L151-W170 HydrophobicContact CD2-CE3 4.12Å; A166-W170 WeakPolarHBondContact O-CB 3.49Å; A166-W170 PolarHBondContact O-N 3.49Å; A167-W170 PolarHBondContact O-N 3.19Å; N168-W170 VanDerWaalsContact C-N 3.33Å; N168-W170 PolarHBondContact O-N 3.45Å; W170-S172 PolarHBondContact O-N 3.16Å; W170-L173 WeakPolarHBondContact O-CB 3.38Å; W170-L173 PolarHBondContact O-N 3.19Å; W170-L173 VanDerWaalsContact O-N 3.08Å |
| 171 | R | 95.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -32.4 | 178 | -71.3 | -173.3 | -108.9 | 104.9 | -2.3 | 112.3 | E33 A167 N168 L173 D174 | E33-R171 IonicContact OE1-CZ 3.02Å; E33-R171 IonicContact OE1-NE 2.69Å; E33-R171 PolarHBondContact OE1-NE 3.21Å; E33-R171 IonicContact OE1-NH2 3.71Å; E33-R171 PolarHBondContact OE1-NH2 3.34Å; E33-R171 IonicContact OE2-NH2 3.26Å; A167-R171 WeakPolarHBondContact O-CG 3.44Å; A167-R171 PolarHBondContact O-N 3.29Å; N168-R171 PolarHBondContact O-N 2.97Å; N168-R171 PolarHBondContact OD1-NH1 3.49Å; N168-R171 PolarHBondContact OD1-NH2 3.35Å; R171-L173 PolarHBondContact O-N 2.92Å; R171-D174 WeakPolarHBondContact O-CB 3.29Å; R171-D174 PolarHBondContact O-N 3.3Å |
| 172 | S | 96.4 | Very high | 94.8 | Very high | 91 Ų | 91 | 54 Ų | 54 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.5 | 177 | 78.3 | 0 | 0 | 0 | 0 | 114.4 | N168 A169 W170 D174 | N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 3.4Å; A169-S172 PolarHBondContact O-N 3.15Å; A169-S172 PolarHBondContact O-OG 3.36Å; W170-S172 PolarHBondContact O-N 3.16Å; S172-D174 VanDerWaalsContact C-N 3.3Å |
| 173 | L | 96.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.6 | 176.5 | -56.4 | -177.9 | 0 | 0 | 0 | 113.1 | Q144 Q147 R148 L151 A169 W170 R171 | Q144-L173 PolarHBondContact NE2-O 3.23Å; Q144-L173 PolarHBondContact OE1-O 3.23Å; Q147-L173 HydrophobicContact CB-CD1 4.36Å; Q147-L173 HydrophobicContact CB-CD2 4.19Å; R148-L173 HydrophobicContact CB-CD1 4.31Å; R148-L173 HydrophobicContact CG-CD1 3.59Å; L151-L173 HydrophobicContact CB-CD1 4.22Å; L151-L173 HydrophobicContact CD2-CD1 3.83Å; A169-L173 WeakPolarHBondContact O-CG 3.26Å; W170-L173 WeakPolarHBondContact O-CB 3.38Å; W170-L173 PolarHBondContact O-N 3.19Å; W170-L173 VanDerWaalsContact O-N 3.08Å; R171-L173 PolarHBondContact O-N 2.92Å |
| 174 | D | 92.9 | Very high | 94.8 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -60.1 | 143.7 | 177.1 | -67.9 | -25.1 | 0 | 0 | 0 | 110.7 | R148 R171 S172 | R148-D174 IonicContact CZ-OD1 2.67Å; R148-D174 IonicContact NH2-OD1 3.94Å; R148-D174 PolarHBondContact NH2-OD1 3.47Å; R171-D174 WeakPolarHBondContact O-CB 3.29Å; R171-D174 PolarHBondContact O-N 3.3Å; S172-D174 VanDerWaalsContact C-N 3.3Å | ||
| 175 | S | 93 | Very high | 94.8 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | trans | -132.3 | 71.4 | -178.5 | -64.4 | 0 | 0 | 0 | 0 | 108.2 | Q144 D177 A178 E179 | Q144-S175 PolarHBondContact NE2-OG 3.38Å; S175-D177 PolarHBondContact O-N 2.93Å; S175-A178 PolarHBondContact O-N 3.18Å; S175-A178 VanDerWaalsContact O-N 3.16Å; S175-E179 PolarHBondContact O-N 3.29Å | ||
| 176 | P | 91.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 53 Ų | 53 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.3 | -36.5 | -171.1 | 23.6 | -33.8 | 0 | 0 | 0 | 112 | A178 E179 Q180 | P176-A178 PolarHBondContact O-N 2.88Å; P176-E179 PolarHBondContact O-N 2.95Å; P176-Q180 VanDerWaalsContact O-CB 3.25Å; P176-Q180 WeakPolarHBondContact O-CB 3.41Å; P176-Q180 PolarHBondContact O-N 3.47Å |
| 177 | D | 92.1 | Very high | 94.6 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 178.4 | -58.9 | -26.2 | 0 | 0 | 0 | 112.1 | S175 Q180 Q181 | S175-D177 PolarHBondContact O-N 2.93Å; D177-Q180 PolarHBondContact O-N 3.06Å; D177-Q181 WeakPolarHBondContact O-CB 3.5Å; D177-Q181 PolarHBondContact O-N 3.32Å |
| 178 | A | 91.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F140 S175 P176 Q181 I182 | F140-A178 HydrophobicContact CD2-CB 3.57Å; F140-A178 HydrophobicContact CE2-CB 3.77Å; S175-A178 PolarHBondContact O-N 3.18Å; S175-A178 VanDerWaalsContact O-N 3.16Å; P176-A178 PolarHBondContact O-N 2.88Å; A178-Q181 PolarHBondContact O-N 3.35Å; A178-I182 WeakPolarHBondContact O-CG1 3.41Å; A178-I182 PolarHBondContact O-N 3.09Å |
| 179 | E | 91.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 173.8 | -170.2 | 179.7 | 170.6 | 0 | 0 | 111.9 | R18 R22 F140 S175 P176 Q181 I182 T183 | R18-E179 IonicContact NE-OE1 2.97Å; R18-E179 IonicContact NH2-OE1 2.78Å; R22-E179 WeakPolarHBondContact CD-OE1 3.27Å; R22-E179 IonicContact CZ-OE1 3.34Å; R22-E179 IonicContact NE-OE1 2.79Å; R22-E179 PolarHBondContact NE-OE1 3.46Å; F140-E179 HydrophobicContact CE2-CB 4.48Å; F140-E179 HydrophobicContact CZ-CB 4.07Å; S175-E179 PolarHBondContact O-N 3.29Å; P176-E179 PolarHBondContact O-N 2.95Å; E179-Q181 VanDerWaalsContact C-N 3.34Å; E179-I182 PolarHBondContact O-N 3.47Å; E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 PolarHBondContact O-OG1 3.34Å |
| 180 | Q | 94.3 | Very high | 93.8 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.6 | -173.7 | 59.6 | 44.4 | 0 | 0 | 110.6 | P176 D177 I182 T183 D184 | P176-Q180 VanDerWaalsContact O-CB 3.25Å; P176-Q180 WeakPolarHBondContact O-CB 3.41Å; P176-Q180 PolarHBondContact O-N 3.47Å; D177-Q180 PolarHBondContact O-N 3.06Å; Q180-I182 VanDerWaalsContact C-N 3.33Å; Q180-I182 PolarHBondContact O-N 3.31Å; Q180-T183 CarbonylContact O-C 3.56Å; Q180-T183 WeakPolarHBondContact O-CA 3.5Å; Q180-T183 WeakPolarHBondContact O-CB 3.35Å; Q180-T183 PolarHBondContact O-N 2.97Å; Q180-D184 PolarHBondContact NE2-OD1 3.33Å; Q180-D184 VanDerWaalsContact O-CG 3.32Å; Q180-D184 PolarHBondContact O-N 2.94Å |
| 181 | Q | 95.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.3 | -160.5 | 178.5 | 1.9 | 0 | 0 | 112.4 | D177 A178 E179 T183 D184 N185 | D177-Q181 WeakPolarHBondContact O-CB 3.5Å; D177-Q181 PolarHBondContact O-N 3.32Å; A178-Q181 PolarHBondContact O-N 3.35Å; E179-Q181 VanDerWaalsContact C-N 3.34Å; Q181-T183 VanDerWaalsContact C-N 3.3Å; Q181-T183 PolarHBondContact O-N 3.06Å; Q181-D184 PolarHBondContact O-N 3.31Å; Q181-N185 WeakPolarHBondContact O-CB 3.48Å; Q181-N185 PolarHBondContact O-N 2.91Å; Q181-N185 PolarHBondContact O-ND2 3.14Å |
| 182 | I | 95.6 | Very high | 93 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 172.7 | -65.2 | 167.1 | 0 | 0 | 0 | 110.7 | A137 F140 A178 E179 Q180 N185 L186 | A137-I182 HydrophobicContact CB-CD1 4.24Å; A137-I182 HydrophobicContact CB-CG1 4.29Å; F140-I182 HydrophobicContact CB-CD1 3.87Å; F140-I182 HydrophobicContact CD1-CD1 3.38Å; F140-I182 HydrophobicContact CD2-CD1 4.36Å; F140-I182 HydrophobicContact CE1-CD1 3.96Å; F140-I182 HydrophobicContact CG-CD1 3.62Å; A178-I182 WeakPolarHBondContact O-CG1 3.41Å; A178-I182 PolarHBondContact O-N 3.09Å; E179-I182 PolarHBondContact O-N 3.47Å; Q180-I182 VanDerWaalsContact C-N 3.33Å; Q180-I182 PolarHBondContact O-N 3.31Å; I182-N185 PolarHBondContact O-N 3.4Å; I182-L186 HydrophobicContact CG2-CD1 4.22Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 2.94Å |
| 183 | T | 94.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 176.2 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | R18 E179 Q180 Q181 N185 L186 C187 | R18-T183 PolarHBondContact NH1-OG1 3Å; R18-T183 PolarHBondContact NH2-OG1 3.43Å; E179-T183 PolarHBondContact O-N 2.96Å; E179-T183 PolarHBondContact O-OG1 3.34Å; Q180-T183 CarbonylContact O-C 3.56Å; Q180-T183 WeakPolarHBondContact O-CA 3.5Å; Q180-T183 WeakPolarHBondContact O-CB 3.35Å; Q180-T183 PolarHBondContact O-N 2.97Å; Q181-T183 VanDerWaalsContact C-N 3.3Å; Q181-T183 PolarHBondContact O-N 3.06Å; T183-N185 VanDerWaalsContact C-N 3.29Å; T183-N185 PolarHBondContact O-N 3.47Å; T183-L186 PolarHBondContact O-N 3.35Å; T183-C187 PolarHBondContact O-N 3.09Å; T183-C187 PolarHBondContact O-SG 2.94Å |
| 184 | D | 95.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.353 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | -178.5 | -66 | -14 | 0 | 0 | 0 | 111 | Q180 Q181 C187 R188 | Q180-D184 PolarHBondContact NE2-OD1 3.33Å; Q180-D184 VanDerWaalsContact O-CG 3.32Å; Q180-D184 PolarHBondContact O-N 2.94Å; Q181-D184 PolarHBondContact O-N 3.31Å; D184-C187 WeakPolarHBondContact O-CB 3.34Å; D184-C187 PolarHBondContact O-N 3.33Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.38Å; D184-R188 PolarHBondContact O-N 3.37Å |
| 185 | N | 94.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.2 | -71.5 | -14.2 | 0 | 0 | 0 | 112 | W133 Q181 I182 T183 C187 R188 L189 | W133-N185 HydrophobicContact CB-CB 4.36Å; W133-N185 HydrophobicContact CD2-CB 3.92Å; W133-N185 HydrophobicContact CE3-CB 3.77Å; W133-N185 HydrophobicContact CG-CB 4.18Å; W133-N185 VanDerWaalsContact CG-ND2 3.29Å; W133-N185 HydrophobicContact CZ3-CB 4.37Å; Q181-N185 WeakPolarHBondContact O-CB 3.48Å; Q181-N185 PolarHBondContact O-N 2.91Å; Q181-N185 PolarHBondContact O-ND2 3.14Å; I182-N185 PolarHBondContact O-N 3.4Å; T183-N185 VanDerWaalsContact C-N 3.29Å; T183-N185 PolarHBondContact O-N 3.47Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.04Å; N185-R188 PolarHBondContact O-N 2.81Å; N185-L189 WeakPolarHBondContact O-CD1 3.43Å; N185-L189 WeakPolarHBondContact O-CG 3.47Å; N185-L189 PolarHBondContact O-N 3.23Å |
| 186 | L | 94.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173.8 | -71.6 | 169.4 | 0 | 0 | 0 | 111.6 | F11 L14 Q15 I182 T183 R188 L189 A190 | F11-L186 HydrophobicContact CD1-CD2 3.99Å; L14-L186 HydrophobicContact CD2-CD2 4.4Å; Q15-L186 HydrophobicContact CB-CD2 4.43Å; I182-L186 HydrophobicContact CG2-CD1 4.22Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 2.94Å; T183-L186 PolarHBondContact O-N 3.35Å; L186-R188 PolarHBondContact O-N 2.77Å; L186-L189 PolarHBondContact O-N 3.34Å; L186-L189 VanDerWaalsContact O-N 3.11Å; L186-A190 PolarHBondContact O-N 3.15Å |
| 187 | C | 92.6 | Very high | 89.3 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 175.8 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | T183 D184 N185 L189 A190 | T183-C187 PolarHBondContact O-N 3.09Å; T183-C187 PolarHBondContact O-SG 2.94Å; D184-C187 WeakPolarHBondContact O-CB 3.34Å; D184-C187 PolarHBondContact O-N 3.33Å; N185-C187 VanDerWaalsContact C-N 3.33Å; N185-C187 PolarHBondContact O-N 3.04Å; C187-L189 PolarHBondContact O-N 3.4Å; C187-A190 WeakPolarHBondContact O-CB 3.39Å; C187-A190 PolarHBondContact O-N 3.19Å |
| 188 | R | 92.4 | Very high | 89.1 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 57% | 0.566 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.3 | -20.1 | 174.9 | -71.6 | 169.2 | -175.6 | 177.8 | 1 | 113.1 | W133 D184 N185 L186 | W133-R188 HydrophobicContact CH2-CB 4.11Å; W133-R188 HydrophobicContact CZ3-CB 4.11Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.38Å; D184-R188 PolarHBondContact O-N 3.37Å; N185-R188 PolarHBondContact O-N 2.81Å; L186-R188 PolarHBondContact O-N 2.77Å |
| 189 | L | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.3 | -179.3 | -67.8 | 167 | 0 | 0 | 0 | 113.7 | F11 P125 M130 W133 N185 L186 C187 F191 F192 L193 | F11-L189 HydrophobicContact CB-CD1 4.48Å; F11-L189 HydrophobicContact CD1-CD1 3.37Å; F11-L189 HydrophobicContact CD2-CD1 3.73Å; F11-L189 HydrophobicContact CE1-CD1 3.27Å; F11-L189 HydrophobicContact CE2-CD1 3.62Å; F11-L189 HydrophobicContact CG-CD1 3.6Å; F11-L189 HydrophobicContact CZ-CD1 3.38Å; P125-L189 HydrophobicContact CG-CD2 3.71Å; P125-L189 HydrophobicContact CG-CG 4.5Å; M130-L189 HydrophobicContact CG-CD2 3.74Å; M130-L189 HydrophobicContact SD-CD2 3.63Å; W133-L189 HydrophobicContact CE3-CD1 4.08Å; W133-L189 HydrophobicContact CE3-CG 4.34Å; W133-L189 HydrophobicContact CZ3-CD1 4.26Å; W133-L189 HydrophobicContact CZ3-CD2 4.2Å; W133-L189 HydrophobicContact CZ3-CG 4.01Å; N185-L189 WeakPolarHBondContact O-CD1 3.43Å; N185-L189 WeakPolarHBondContact O-CG 3.47Å; N185-L189 PolarHBondContact O-N 3.23Å; L186-L189 PolarHBondContact O-N 3.34Å; L186-L189 VanDerWaalsContact O-N 3.11Å; C187-L189 PolarHBondContact O-N 3.4Å; L189-F191 PolarHBondContact O-N 2.98Å; L189-F192 HydrophobicContact CD2-CB 4.31Å; L189-F192 HydrophobicContact CD2-CD1 4.03Å; L189-F192 HydrophobicContact CD2-CG 4.4Å; L189-F192 WeakPolarHBondContact O-CA 3.27Å; L189-F192 WeakPolarHBondContact O-CB 3.47Å; L189-F192 PolarHBondContact O-N 3.07Å; L189-L193 HydrophobicContact CB-CD1 4.08Å; L189-L193 HydrophobicContact CB-CG 4.2Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 3.04Å |
| 190 | A | 89.5 | Confident | 88.9 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -49.9 | -53 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L186 C187 F192 L193 E194 | L186-A190 PolarHBondContact O-N 3.15Å; C187-A190 WeakPolarHBondContact O-CB 3.39Å; C187-A190 PolarHBondContact O-N 3.19Å; A190-F192 PolarHBondContact O-N 2.86Å; A190-L193 PolarHBondContact O-N 3.13Å; A190-E194 WeakPolarHBondContact O-CG 3.48Å; A190-E194 PolarHBondContact O-N 3.1Å; A190-E194 VanDerWaalsContact O-N 3.09Å |
| 191 | F | 87.9 | Confident | 88.5 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.614 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 178.4 | -64.2 | -67.4 | 0 | 0 | 0 | 113.6 | V123 L189 L193 E194 A195 | V123-F191 HydrophobicContact CB-CB 4.4Å; L189-F191 PolarHBondContact O-N 2.98Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-E194 PolarHBondContact O-N 3.33Å; F191-A195 PolarHBondContact O-N 3.19Å |
| 192 | F | 88.6 | Confident | 88.1 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -34.4 | 176.2 | 173.5 | -102.7 | 0 | 0 | 0 | 112.1 | V7 R8 V123 A124 M130 L189 A190 | V7-F192 HydrophobicContact CG1-CE1 4.27Å; V7-F192 HydrophobicContact CG1-CZ 4.42Å; R8-F192 HydrophobicContact CB-CE1 3.8Å; R8-F192 HydrophobicContact CB-CZ 4.01Å; R8-F192 HydrophobicContact CG-CE1 4.07Å; V123-F192 PolarHBondContact O-N 3.29Å; A124-F192 HydrophobicContact CB-CB 4.12Å; A124-F192 HydrophobicContact CB-CD2 3.8Å; A124-F192 HydrophobicContact CB-CG 4.3Å; M130-F192 HydrophobicContact CE-CE2 4.34Å; M130-F192 HydrophobicContact CE-CZ 4.25Å; M130-F192 HydrophobicContact SD-CD1 3.95Å; M130-F192 HydrophobicContact SD-CE1 3.72Å; M130-F192 HydrophobicContact SD-CE2 4.32Å; M130-F192 HydrophobicContact SD-CG 4.34Å; M130-F192 HydrophobicContact SD-CZ 3.92Å; L189-F192 HydrophobicContact CD2-CB 4.31Å; L189-F192 HydrophobicContact CD2-CD1 4.03Å; L189-F192 HydrophobicContact CD2-CG 4.4Å; L189-F192 WeakPolarHBondContact O-CA 3.27Å; L189-F192 WeakPolarHBondContact O-CB 3.47Å; L189-F192 PolarHBondContact O-N 3.07Å; A190-F192 PolarHBondContact O-N 2.86Å |
| 193 | L | 88.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.4 | -28.3 | 177.7 | -63.7 | 169.6 | 0 | 0 | 0 | 112.1 | R8 F11 M12 L189 A190 F191 | R8-L193 HydrophobicContact CG-CD2 4.03Å; F11-L193 HydrophobicContact CB-CD2 3.74Å; M12-L193 HydrophobicContact CG-CD2 4.03Å; L189-L193 HydrophobicContact CB-CD1 4.08Å; L189-L193 HydrophobicContact CB-CG 4.2Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 3.04Å; A190-L193 PolarHBondContact O-N 3.13Å; F191-L193 VanDerWaalsContact C-N 3.32Å |
| 194 | E | 85.1 | Confident | 87 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -83.2 | -26.8 | 177.9 | -71.3 | 173.9 | -176.1 | 0 | 0 | 114.1 | A190 F191 Q196 | A190-E194 WeakPolarHBondContact O-CG 3.48Å; A190-E194 PolarHBondContact O-N 3.1Å; A190-E194 VanDerWaalsContact O-N 3.09Å; F191-E194 PolarHBondContact O-N 3.33Å; E194-Q196 PolarHBondContact O-N 2.76Å |
| 195 | A | 73.1 | Confident | 86.2 | Confident | 58 Ų | 58 | 78 Ų | 78 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | trans | -64.5 | 120.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R8 F191 | R8-A195 PolarHBondContact NH1-O 3.24Å; F191-A195 PolarHBondContact O-N 3.19Å | ||
| 196 | Q | 55.6 | Low | 85.5 | Confident | 238 Ų | 238 | 84.2 Ų | 84.2 | 100% | 1.112 | 43% | 0.427 | S | S | * | . | trans | -73.1 | 0 | -178.7 | -79.8 | -176.4 | -1.5 | 0 | 0 | 112.9 | R8 E194 | R8-Q196 PolarHBondContact NH1-OXT 3.22Å; E194-Q196 PolarHBondContact O-N 2.76Å |
Retrieved 196 of 196 residues in 132.9 ms
(Link to these results)