| 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 | 80.3 | Confident | 94.1 | Very high | 95 Ų | 95 | 25.7 Ų | 25.7 | 47% | 0.468 | 13% | 0.128 | S | C | . | . | 0 | 162.6 | 0 | -71.7 | -73.7 | -106.3 | 0 | 0 | 108.5 | L3 Y157 T161 N164 | M1-L3 PolarHBondContact O-N 3.27Å; M1-Y157 WeakPolarHBondContact CA-OH 3.37Å; M1-Y157 PolarHBondContact N-OH 2.75Å; M1-Y157 VanDerWaalsContact O-CE1 3.32Å; M1-Y157 WeakPolarHBondContact O-CE1 3.36Å; M1-T161 HydrophobicContact CB-CG2 4.05Å; M1-T161 HydrophobicContact CE-CG2 3.97Å; M1-T161 HydrophobicContact SD-CG2 4.12Å; M1-N164 HydrophobicContact CE-CB 3.95Å | |||
| 2 | S | 88.1 | Confident | 94.4 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | trans | -71.7 | 128.3 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | K4 I158 T161 | S2-K4 PolarHBondContact O-N 2.78Å; S2-K4 PolarHBondContact OG-N 2.9Å; S2-I158 WeakPolarHBondContact OG-CG1 3.49Å; S2-T161 WeakPolarHBondContact CB-OG1 3.49Å; S2-T161 PolarHBondContact N-OG1 3.42Å | ||
| 3 | L | 92.6 | Very high | 94.7 | Very high | 84 Ų | 84 | 21.8 Ų | 21.8 | 44% | 0.44 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -1.7 | 178.3 | -59.4 | -179.3 | 0 | 0 | 0 | 114 | M1 P58 Q59 E60 | M1-L3 PolarHBondContact O-N 3.27Å; L3-P58 HydrophobicContact CB-CB 4.01Å; L3-P58 HydrophobicContact CD1-CB 4.49Å; L3-P58 CarbonylContact O-C 3.57Å; L3-P58 VanDerWaalsContact O-CA 3.3Å; L3-P58 WeakPolarHBondContact O-CA 3.47Å; L3-Q59 CarbonylContact C-O 3.6Å; L3-Q59 VanDerWaalsContact C-O 3.3Å; L3-Q59 WeakPolarHBondContact CA-O 3.45Å; L3-Q59 PolarHBondContact O-N 3.29Å; L3-Q59 VanDerWaalsContact O-O 3.07Å; L3-E60 HydrophobicContact CD2-CG 3.66Å |
| 4 | K | 94.5 | Very high | 94.8 | Very high | 82 Ų | 82 | 20.2 Ų | 20.2 | 36% | 0.357 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 21.5 | -177.9 | -63.9 | -175.7 | 175.5 | -172.1 | 0 | 112.2 | S2 T146 Y147 M150 | S2-K4 PolarHBondContact O-N 2.78Å; S2-K4 PolarHBondContact OG-N 2.9Å; K4-T146 HydrophobicContact CD-CG2 4.48Å; K4-Y147 HydrophobicContact CB-CE1 4.17Å; K4-Y147 VanDerWaalsContact O-CE1 3.27Å; K4-Y147 WeakPolarHBondContact O-CE1 3.35Å; K4-Y147 PolarHBondContact O-OH 3.19Å; K4-M150 HydrophobicContact CB-CE 4.33Å; K4-M150 HydrophobicContact CD-CE 3.22Å; K4-M150 HydrophobicContact CG-CE 4.4Å |
| 5 | A | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -83.3 | -28.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L8 L9 L61 I158 T161 L162 | A5-L8 PolarHBondContact O-N 2.81Å; A5-L9 PolarHBondContact O-N 2.76Å; A5-L9 VanDerWaalsContact O-N 3.08Å; A5-L61 HydrophobicContact CB-CD1 4.17Å; A5-L61 HydrophobicContact CB-CD2 3.84Å; A5-L61 HydrophobicContact CB-CG 3.99Å; A5-I158 HydrophobicContact CB-CG2 4.23Å; A5-T161 HydrophobicContact CB-CG2 3.8Å; A5-L162 HydrophobicContact CB-CD2 4.12Å; A5-L162 HydrophobicContact CB-CG 4.24Å | ||
| 6 | L | 96 | Very high | 95.1 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | -171.9 | -174.9 | 62.8 | 0 | 0 | 0 | 114.2 | L8 L9 V10 L55 Q59 L61 P62 | L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 2.85Å; L6-L9 HydrophobicContact CD1-CD2 4.38Å; L6-L9 WeakPolarHBondContact O-CB 3.27Å; L6-L9 PolarHBondContact O-N 3.13Å; L6-L9 VanDerWaalsContact O-N 3.15Å; L6-V10 HydrophobicContact CD1-CG2 3.97Å; L6-V10 HydrophobicContact CG-CG2 4.32Å; L6-V10 PolarHBondContact O-N 2.83Å; L6-L55 HydrophobicContact CD2-CD1 3.94Å; L6-L55 HydrophobicContact CG-CD1 3.71Å; L6-Q59 HydrophobicContact CB-CG 4.4Å; L6-Q59 HydrophobicContact CD2-CG 3.79Å; L6-Q59 VanDerWaalsContact CD2-OE1 3.29Å; L6-L61 HydrophobicContact CB-CD2 3.91Å; L6-L61 HydrophobicContact CD1-CD2 4.01Å; L6-P62 HydrophobicContact CD1-CG 4.27Å; L6-P62 HydrophobicContact CD2-CG 4.47Å |
| 7 | P | 96.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.8 | -23.8 | 31.5 | 0 | 0 | 0 | 113.2 | V10 F11 L55 F56 Y147 | P7-V10 PolarHBondContact O-N 3.25Å; P7-F11 VanDerWaalsContact O-CB 3.31Å; P7-F11 WeakPolarHBondContact O-CB 3.37Å; P7-F11 WeakPolarHBondContact O-CD1 3.45Å; P7-F11 VanDerWaalsContact O-CG 3.32Å; P7-F11 WeakPolarHBondContact O-CG 3.2Å; P7-F11 PolarHBondContact O-N 3.09Å; P7-L55 HydrophobicContact CB-CD2 4.32Å; P7-L55 HydrophobicContact CB-CG 4.2Å; P7-L55 HydrophobicContact CG-CG 4.22Å; P7-L55 WeakPolarHBondContact CG-O 3.21Å; P7-F56 HydrophobicContact CB-CD1 4.3Å; P7-F56 HydrophobicContact CB-CD2 4.12Å; P7-F56 HydrophobicContact CB-CE1 3.96Å; P7-F56 HydrophobicContact CB-CE2 3.79Å; P7-F56 HydrophobicContact CB-CG 4.38Å; P7-F56 HydrophobicContact CB-CZ 3.71Å; P7-F56 HydrophobicContact CG-CD1 3.99Å; P7-F56 HydrophobicContact CG-CD2 4.1Å; P7-F56 HydrophobicContact CG-CE1 4.15Å; P7-F56 HydrophobicContact CG-CE2 4.26Å; P7-F56 HydrophobicContact CG-CG 3.98Å; P7-F56 HydrophobicContact CG-CZ 4.3Å; P7-Y147 HydrophobicContact CB-CE2 4.39Å; P7-Y147 WeakPolarHBondContact CB-OH 3.35Å; P7-Y147 WeakPolarHBondContact CD-OH 3.26Å; P7-Y147 VanDerWaalsContact CG-OH 3.24Å; P7-Y147 WeakPolarHBondContact CG-OH 3.44Å |
| 8 | L | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.5 | -60.9 | -172.5 | 0 | 0 | 0 | 111.6 | A5 L6 N12 L111 L112 T115 L143 Y147 I158 L162 | A5-L8 PolarHBondContact O-N 2.81Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 2.85Å; L8-N12 WeakPolarHBondContact O-CB 3.44Å; L8-N12 PolarHBondContact O-N 3.3Å; L8-N12 PolarHBondContact O-ND2 3.27Å; L8-L111 HydrophobicContact CD1-CD2 3.85Å; L8-L111 HydrophobicContact CD1-CG 4.27Å; L8-L112 HydrophobicContact CD1-CD2 3.99Å; L8-L112 HydrophobicContact CD2-CD2 4.13Å; L8-T115 HydrophobicContact CD2-CG2 4.21Å; L8-L143 HydrophobicContact CD2-CD1 3.51Å; L8-Y147 HydrophobicContact CD1-CD1 4.36Å; L8-Y147 HydrophobicContact CD1-CE1 4.08Å; L8-Y147 HydrophobicContact CD2-CD2 4.16Å; L8-Y147 HydrophobicContact CD2-CE1 4.4Å; L8-Y147 HydrophobicContact CD2-CE2 3.88Å; L8-Y147 HydrophobicContact CG-CE1 4.03Å; L8-Y147 HydrophobicContact CG-CE2 4.24Å; L8-I158 HydrophobicContact CD1-CG2 3.63Å; L8-L162 HydrophobicContact CB-CD1 4.21Å |
| 9 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.6 | -52.6 | 175 | -178.7 | 62.8 | 0 | 0 | 0 | 110.7 | A5 L6 M13 L61 V67 F98 L162 F165 F166 | A5-L9 PolarHBondContact O-N 2.76Å; A5-L9 VanDerWaalsContact O-N 3.08Å; L6-L9 HydrophobicContact CD1-CD2 4.38Å; L6-L9 WeakPolarHBondContact O-CB 3.27Å; L6-L9 PolarHBondContact O-N 3.13Å; L6-L9 VanDerWaalsContact O-N 3.15Å; L9-M13 HydrophobicContact CD1-CG 4.22Å; L9-M13 HydrophobicContact CD1-SD 3.55Å; L9-M13 VanDerWaalsContact CD1-SD 3.55Å; L9-M13 HydrophobicContact CG-SD 3.98Å; L9-M13 WeakPolarHBondContact O-CB 3.44Å; L9-M13 WeakPolarHBondContact O-CG 3.31Å; L9-M13 PolarHBondContact O-N 3.09Å; L9-L61 HydrophobicContact CB-CD2 4.47Å; L9-L61 HydrophobicContact CD2-CD2 3.97Å; L9-V67 HydrophobicContact CD2-CG1 4.47Å; L9-V67 HydrophobicContact CD2-CG2 4.22Å; L9-F98 HydrophobicContact CD1-CD1 4.19Å; L9-F98 HydrophobicContact CD1-CE1 3.94Å; L9-L162 HydrophobicContact CB-CD2 3.7Å; L9-L162 HydrophobicContact CD1-CD2 4.17Å; L9-L162 HydrophobicContact CG-CD2 4.43Å; L9-F165 HydrophobicContact CD1-CD1 3.89Å; L9-F165 HydrophobicContact CD1-CE1 3.85Å; L9-F165 HydrophobicContact CD2-CD1 4.1Å; L9-F165 HydrophobicContact CD2-CD2 4.34Å; L9-F165 HydrophobicContact CD2-CE1 3.86Å; L9-F165 HydrophobicContact CD2-CE2 4.1Å; L9-F165 HydrophobicContact CD2-CG 4.34Å; L9-F165 HydrophobicContact CD2-CZ 3.85Å; L9-F165 HydrophobicContact CG-CE1 4.47Å; L9-F166 HydrophobicContact CD1-CE2 3.7Å; L9-F166 HydrophobicContact CD1-CZ 3.5Å; L9-F166 VanDerWaalsContact CD1-CZ 3.5Å |
| 10 | V | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | -176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L6 P7 N12 A14 F51 L55 L70 F71 | L6-V10 HydrophobicContact CD1-CG2 3.97Å; L6-V10 HydrophobicContact CG-CG2 4.32Å; L6-V10 PolarHBondContact O-N 2.83Å; P7-V10 PolarHBondContact O-N 3.25Å; V10-N12 PolarHBondContact O-N 3.43Å; V10-A14 WeakPolarHBondContact O-CB 3.22Å; V10-A14 PolarHBondContact O-N 3.28Å; V10-F51 HydrophobicContact CG1-CE1 4.24Å; V10-F51 HydrophobicContact CG1-CZ 4.46Å; V10-L55 HydrophobicContact CB-CD1 3.95Å; V10-L55 HydrophobicContact CB-CD2 4.13Å; V10-L55 HydrophobicContact CG1-CD1 4.3Å; V10-L55 HydrophobicContact CG1-CD2 4.05Å; V10-L55 HydrophobicContact CG2-CD1 3.68Å; V10-L70 HydrophobicContact CG2-CD2 4.23Å; V10-F71 HydrophobicContact CG1-CZ 4.41Å |
| 11 | F | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | -178.6 | -78.6 | 12.4 | 0 | 0 | 0 | 112.5 | P7 G15 F47 L52 L55 F56 T115 L119 A139 L143 | P7-F11 VanDerWaalsContact O-CB 3.31Å; P7-F11 WeakPolarHBondContact O-CB 3.37Å; P7-F11 WeakPolarHBondContact O-CD1 3.45Å; P7-F11 VanDerWaalsContact O-CG 3.32Å; P7-F11 WeakPolarHBondContact O-CG 3.2Å; P7-F11 PolarHBondContact O-N 3.09Å; F11-G15 PolarHBondContact O-N 3.36Å; F11-F47 AromaticContact CD1-CE1 3.91Å; F11-F47 HydrophobicContact CD1-CE1 3.91Å; F11-F47 HydrophobicContact CE1-CD1 4.11Å; F11-F47 AromaticContact CE1-CE1 3.73Å; F11-F47 HydrophobicContact CE1-CE1 3.73Å; F11-F47 HydrophobicContact CE2-CE1 4.47Å; F11-F47 HydrophobicContact CG-CE1 4.35Å; F11-F47 HydrophobicContact CZ-CD1 4.3Å; F11-F47 HydrophobicContact CZ-CE1 4.03Å; F11-L52 HydrophobicContact CE1-CD2 3.59Å; F11-L52 HydrophobicContact CZ-CD2 3.63Å; F11-L55 HydrophobicContact CD1-CD2 4.06Å; F11-L55 HydrophobicContact CE1-CD2 3.65Å; F11-F56 HydrophobicContact CE1-CE2 4.25Å; F11-F56 HydrophobicContact CE2-CE2 4.23Å; F11-F56 HydrophobicContact CE2-CZ 4.08Å; F11-F56 AromaticContact CZ-CE2 3.64Å; F11-F56 HydrophobicContact CZ-CE2 3.64Å; F11-F56 AromaticContact CZ-CZ 3.96Å; F11-F56 HydrophobicContact CZ-CZ 3.96Å; F11-T115 HydrophobicContact CB-CG2 3.77Å; F11-T115 HydrophobicContact CD2-CG2 3.93Å; F11-T115 HydrophobicContact CG-CG2 4.39Å; F11-L119 HydrophobicContact CD2-CD1 4.37Å; F11-L119 HydrophobicContact CD2-CD2 4.23Å; F11-L119 HydrophobicContact CE2-CD1 4.49Å; F11-L119 HydrophobicContact CE2-CD2 4.5Å; F11-A139 HydrophobicContact CE2-CB 4.06Å; F11-A139 HydrophobicContact CZ-CB 3.79Å; F11-L143 HydrophobicContact CD2-CD1 4.13Å; F11-L143 HydrophobicContact CE2-CB 4.36Å; F11-L143 HydrophobicContact CE2-CD1 4.25Å |
| 12 | N | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -72.2 | -43.1 | -178.9 | -70.6 | -75.8 | 0 | 0 | 0 | 111.7 | L8 V10 A14 G15 E16 F98 T115 H118 | L8-N12 WeakPolarHBondContact O-CB 3.44Å; L8-N12 PolarHBondContact O-N 3.3Å; L8-N12 PolarHBondContact O-ND2 3.27Å; V10-N12 PolarHBondContact O-N 3.43Å; N12-A14 VanDerWaalsContact C-N 3.31Å; N12-A14 PolarHBondContact O-N 3.18Å; N12-G15 PolarHBondContact O-N 2.9Å; N12-E16 PolarHBondContact O-N 3.15Å; N12-E16 VanDerWaalsContact O-N 3.07Å; N12-F98 HydrophobicContact CB-CD1 4.01Å; N12-F98 HydrophobicContact CB-CD2 3.33Å; N12-F98 HydrophobicContact CB-CE1 3.92Å; N12-F98 HydrophobicContact CB-CE2 3.22Å; N12-F98 HydrophobicContact CB-CG 3.75Å; N12-F98 HydrophobicContact CB-CZ 3.53Å; N12-T115 PolarHBondContact ND2-OG1 3.15Å; N12-T115 VanDerWaalsContact OD1-CA 3.3Å; N12-T115 WeakPolarHBondContact OD1-CA 3.44Å; N12-T115 PolarHBondContact OD1-N 3.05Å; N12-T115 PolarHBondContact OD1-OG1 3.17Å; N12-H118 PolarHBondContact OD1-CE1 3.46Å; N12-H118 PolarHBondContact OD1-ND1 3.01Å |
| 13 | M | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65 | -34.8 | 175 | -71.6 | -176.4 | 71 | 0 | 0 | 112.3 | L9 E16 M17 V67 F71 Y91 M94 A95 F98 F166 | L9-M13 HydrophobicContact CD1-CG 4.22Å; L9-M13 HydrophobicContact CD1-SD 3.55Å; L9-M13 VanDerWaalsContact CD1-SD 3.55Å; L9-M13 HydrophobicContact CG-SD 3.98Å; L9-M13 WeakPolarHBondContact O-CB 3.44Å; L9-M13 WeakPolarHBondContact O-CG 3.31Å; L9-M13 PolarHBondContact O-N 3.09Å; M13-E16 PolarHBondContact O-N 3.32Å; M13-M17 WeakPolarHBondContact O-CB 3.41Å; M13-M17 PolarHBondContact O-N 3.01Å; M13-V67 HydrophobicContact CE-CG1 4.46Å; M13-V67 HydrophobicContact SD-CG1 4.3Å; M13-F71 HydrophobicContact CB-CE1 4.1Å; M13-F71 HydrophobicContact CB-CE2 3.76Å; M13-F71 HydrophobicContact CB-CZ 3.38Å; M13-F71 HydrophobicContact CE-CD2 4.22Å; M13-F71 HydrophobicContact CE-CE2 4.05Å; M13-F71 HydrophobicContact SD-CE2 4.07Å; M13-Y91 HydrophobicContact CE-CD2 4.42Å; M13-Y91 HydrophobicContact CE-CE2 3.98Å; M13-M94 HydrophobicContact CE-CE 3.37Å; M13-M94 HydrophobicContact CE-CG 3.81Å; M13-M94 HydrophobicContact CE-SD 3.99Å; M13-A95 HydrophobicContact CE-CB 4.29Å; M13-F98 HydrophobicContact CG-CB 4.4Å; M13-F98 HydrophobicContact CG-CD1 3.97Å; M13-F166 HydrophobicContact CG-CZ 4.47Å; M13-F166 HydrophobicContact SD-CE1 4.41Å; M13-F166 HydrophobicContact SD-CZ 3.99Å |
| 14 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V10 N12 M17 C18 I46 F71 | V10-A14 WeakPolarHBondContact O-CB 3.22Å; V10-A14 PolarHBondContact O-N 3.28Å; N12-A14 VanDerWaalsContact C-N 3.31Å; N12-A14 PolarHBondContact O-N 3.18Å; A14-M17 PolarHBondContact O-N 3.12Å; A14-C18 WeakPolarHBondContact O-CB 3.33Å; A14-C18 PolarHBondContact O-N 3.45Å; A14-C18 PolarHBondContact O-SG 2.74Å; A14-I46 HydrophobicContact CB-CD1 3.97Å; A14-I46 HydrophobicContact CB-CG2 3.93Å; A14-F71 HydrophobicContact CB-CE1 4.18Å |
| 15 | G | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -58.2 | -52.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F11 N12 M17 C18 Y19 | F11-G15 PolarHBondContact O-N 3.36Å; N12-G15 PolarHBondContact O-N 2.9Å; G15-M17 PolarHBondContact O-N 3.11Å; G15-C18 PolarHBondContact O-N 3.47Å; G15-C18 VanDerWaalsContact O-N 3.15Å; G15-Y19 WeakPolarHBondContact O-CD1 3.31Å; G15-Y19 VanDerWaalsContact O-CG 3.25Å; G15-Y19 PolarHBondContact O-N 2.96Å |
| 16 | E | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 176 | -68.5 | -58.8 | 154.8 | 0 | 0 | 112.5 | N12 M13 C18 Y19 I20 M94 M97 F98 Q101 H118 | N12-E16 PolarHBondContact O-N 3.15Å; N12-E16 VanDerWaalsContact O-N 3.07Å; M13-E16 PolarHBondContact O-N 3.32Å; E16-C18 VanDerWaalsContact C-N 3.32Å; E16-C18 PolarHBondContact O-N 2.93Å; E16-Y19 PolarHBondContact O-N 3.08Å; E16-I20 WeakPolarHBondContact O-CD1 3.25Å; E16-I20 VanDerWaalsContact O-CG1 3.28Å; E16-I20 WeakPolarHBondContact O-CG1 3.45Å; E16-I20 PolarHBondContact O-N 3.35Å; E16-M94 HydrophobicContact CB-CB 3.76Å; E16-M97 HydrophobicContact CG-CB 3.93Å; E16-M97 WeakPolarHBondContact OE2-CB 3.27Å; E16-F98 HydrophobicContact CG-CB 4.49Å; E16-Q101 PolarHBondContact OE1-NE2 3.01Å; E16-H118 IonicContact OE1-CE1 2.79Å; E16-H118 IonicContact OE1-NE2 3.55Å; E16-H118 PolarHBondContact OE1-NE2 3Å |
| 17 | M | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 175 | -178.6 | 179.2 | 66.6 | 0 | 0 | 111.1 | M13 A14 G15 Y19 I20 L21 I42 I46 F71 L74 A75 L90 M94 | M13-M17 WeakPolarHBondContact O-CB 3.41Å; M13-M17 PolarHBondContact O-N 3.01Å; A14-M17 PolarHBondContact O-N 3.12Å; G15-M17 PolarHBondContact O-N 3.11Å; M17-Y19 VanDerWaalsContact C-N 3.34Å; M17-Y19 PolarHBondContact O-N 3.3Å; M17-I20 PolarHBondContact O-N 2.97Å; M17-L21 HydrophobicContact CG-CD1 3.82Å; M17-L21 HydrophobicContact CG-CG 4.27Å; M17-L21 WeakPolarHBondContact O-CB 3.11Å; M17-L21 VanDerWaalsContact O-CG 3.24Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 3.01Å; M17-L21 HydrophobicContact SD-CD1 4.46Å; M17-I42 HydrophobicContact CE-CG2 3.81Å; M17-I46 HydrophobicContact CE-CD1 3.46Å; M17-I46 VanDerWaalsContact CE-CD1 3.46Å; M17-F71 HydrophobicContact CE-CD1 4.06Å; M17-F71 HydrophobicContact CE-CE1 4.29Å; M17-F71 HydrophobicContact SD-CD1 3.8Å; M17-F71 HydrophobicContact SD-CE1 4.47Å; M17-L74 HydrophobicContact CE-CB 4.4Å; M17-A75 HydrophobicContact SD-CB 4.33Å; M17-L90 HydrophobicContact CG-CD1 4.42Å; M17-L90 HydrophobicContact CG-CD2 4.23Å; M17-M94 HydrophobicContact CB-SD 4.18Å |
| 18 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.9 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | A14 G15 E16 D22 M39 I122 I125 | A14-C18 WeakPolarHBondContact O-CB 3.33Å; A14-C18 PolarHBondContact O-N 3.45Å; A14-C18 PolarHBondContact O-SG 2.74Å; G15-C18 PolarHBondContact O-N 3.47Å; G15-C18 VanDerWaalsContact O-N 3.15Å; E16-C18 VanDerWaalsContact C-N 3.32Å; E16-C18 PolarHBondContact O-N 2.93Å; C18-D22 WeakPolarHBondContact O-CB 3.34Å; C18-D22 PolarHBondContact O-N 2.86Å; C18-M39 HydrophobicContact CB-CE 3.78Å; C18-M39 WeakPolarHBondContact O-CE 3.36Å; C18-I122 HydrophobicContact CB-CG1 4.18Å; C18-I125 HydrophobicContact CB-CD1 4.15Å |
| 19 | Y | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 178.6 | -62.2 | -17.4 | 0 | 0 | 0 | 112.5 | G15 E16 M17 Q23 N117 H118 G121 I125 G250 N252 Y254 | G15-Y19 WeakPolarHBondContact O-CD1 3.31Å; G15-Y19 VanDerWaalsContact O-CG 3.25Å; G15-Y19 PolarHBondContact O-N 2.96Å; E16-Y19 PolarHBondContact O-N 3.08Å; M17-Y19 VanDerWaalsContact C-N 3.34Å; M17-Y19 PolarHBondContact O-N 3.3Å; Y19-Q23 WeakPolarHBondContact O-CB 3.35Å; Y19-Q23 PolarHBondContact O-N 3.46Å; Y19-N117 PolarHBondContact OH-O 3.43Å; Y19-H118 AromaticContact CE2-CD2 3.55Å; Y19-H118 AromaticContact CZ-CD2 3.91Å; Y19-H118 WeakPolarHBondContact OH-CA 3.22Å; Y19-G121 WeakPolarHBondContact OH-CA 3.25Å; Y19-I125 HydrophobicContact CD1-CD1 3.6Å; Y19-I125 HydrophobicContact CE1-CD1 4.06Å; Y19-G250 PolarHBondContact OH-O 3.23Å; Y19-N252 HydrophobicContact CD1-CB 3.82Å; Y19-N252 HydrophobicContact CD2-CB 4.07Å; Y19-N252 HydrophobicContact CE1-CB 3.74Å; Y19-N252 HydrophobicContact CE2-CB 3.97Å; Y19-N252 HydrophobicContact CG-CB 3.98Å; Y19-Y254 HydrophobicContact CD2-CD2 4.49Å; Y19-Y254 HydrophobicContact CG-CD2 4.42Å |
| 20 | I | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 179.3 | -68 | 162.7 | 0 | 0 | 0 | 110.7 | E16 M17 R24 L90 L93 M94 Y254 F268 | E16-I20 WeakPolarHBondContact O-CD1 3.25Å; E16-I20 VanDerWaalsContact O-CG1 3.28Å; E16-I20 WeakPolarHBondContact O-CG1 3.45Å; E16-I20 PolarHBondContact O-N 3.35Å; M17-I20 PolarHBondContact O-N 2.97Å; I20-R24 WeakPolarHBondContact O-CB 3.04Å; I20-R24 PolarHBondContact O-N 3.1Å; I20-L90 HydrophobicContact CB-CD1 4Å; I20-L90 HydrophobicContact CD1-CD1 4.15Å; I20-L90 HydrophobicContact CG2-CD1 3.54Å; I20-L93 HydrophobicContact CD1-CB 3.72Å; I20-M94 HydrophobicContact CD1-CB 4.41Å; I20-Y254 HydrophobicContact CG1-CE1 4.44Å; I20-Y254 HydrophobicContact CG1-CE2 4.09Å; I20-F268 HydrophobicContact CB-CZ 4.41Å; I20-F268 HydrophobicContact CG1-CE1 4.31Å; I20-F268 HydrophobicContact CG1-CZ 4.48Å; I20-F268 HydrophobicContact CG2-CE1 3.75Å; I20-F268 HydrophobicContact CG2-CZ 3.78Å |
| 21 | L | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -44.8 | -179.1 | -69.1 | -180 | 0 | 0 | 0 | 111.9 | M17 Q23 R24 L25 M39 I42 M80 L82 L90 L305 | M17-L21 HydrophobicContact CG-CD1 3.82Å; M17-L21 HydrophobicContact CG-CG 4.27Å; M17-L21 WeakPolarHBondContact O-CB 3.11Å; M17-L21 VanDerWaalsContact O-CG 3.24Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 3.01Å; M17-L21 HydrophobicContact SD-CD1 4.46Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.4Å; L21-R24 PolarHBondContact O-N 2.86Å; L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.47Å; L21-M39 HydrophobicContact CB-CE 4.48Å; L21-M39 HydrophobicContact CB-SD 4.12Å; L21-I42 HydrophobicContact CD1-CD1 3.74Å; L21-M80 HydrophobicContact CD1-CE 3.75Å; L21-M80 HydrophobicContact CD2-CE 3.73Å; L21-M80 HydrophobicContact CD2-SD 3.93Å; L21-M80 HydrophobicContact CG-CE 4.37Å; L21-L82 HydrophobicContact CD2-CD1 4.46Å; L21-L90 HydrophobicContact CD2-CD1 4.46Å; L21-L90 HydrophobicContact CD2-CD2 4.11Å; L21-L305 HydrophobicContact CD2-CD2 4.12Å |
| 22 | D | 92.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.9 | 174.4 | 53.2 | 0 | 0 | 0 | 111.7 | C18 R26 M39 I125 | C18-D22 WeakPolarHBondContact O-CB 3.34Å; C18-D22 PolarHBondContact O-N 2.86Å; D22-R26 PolarHBondContact O-N 3.23Å; D22-R26 VanDerWaalsContact O-N 3.14Å; D22-R26 IonicContact OD1-CZ 3.93Å; D22-R26 IonicContact OD1-NH1 3.64Å; D22-R26 PolarHBondContact OD1-NH1 2.89Å; D22-R26 IonicContact OD2-CZ 3.98Å; D22-R26 IonicContact OD2-NH1 2.93Å; D22-R26 PolarHBondContact OD2-NH1 2.91Å; D22-R26 IonicContact OD2-NH2 3.79Å; D22-R26 PolarHBondContact OD2-NH2 3.09Å; D22-M39 HydrophobicContact CB-CE 4.29Å; D22-M39 HydrophobicContact CB-SD 4.47Å; D22-I125 HydrophobicContact CB-CD1 3.85Å; D22-I125 HydrophobicContact CB-CG1 4.24Å; D22-I125 HydrophobicContact CB-CG2 4.12Å |
| 23 | Q | 90.1 | Very high | 92 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 173.3 | -170.6 | -164.4 | 17.8 | 0 | 0 | 112 | Y19 L21 L25 R26 A27 G264 | Y19-Q23 WeakPolarHBondContact O-CB 3.35Å; Y19-Q23 PolarHBondContact O-N 3.46Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.4Å; Q23-L25 PolarHBondContact O-N 3.15Å; Q23-R26 WeakPolarHBondContact O-CB 3.44Å; Q23-R26 PolarHBondContact O-N 2.8Å; Q23-A27 WeakPolarHBondContact O-CB 3.25Å; Q23-A27 PolarHBondContact O-N 2.83Å; Q23-G264 PolarHBondContact NE2-O 3.45Å |
| 24 | R | 88.2 | Confident | 91.7 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | -178.1 | -169.6 | 65.4 | -179.4 | 176.9 | 0.8 | 111.9 | I20 L21 R26 A27 Q28 L305 S306 I307 | I20-R24 WeakPolarHBondContact O-CB 3.04Å; I20-R24 PolarHBondContact O-N 3.1Å; L21-R24 PolarHBondContact O-N 2.86Å; R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 2.76Å; R24-A27 PolarHBondContact O-N 3.16Å; R24-Q28 VanDerWaalsContact NE-NE2 3.11Å; R24-Q28 WeakPolarHBondContact O-CB 3.42Å; R24-Q28 WeakPolarHBondContact O-CG 3.43Å; R24-Q28 PolarHBondContact O-N 3.15Å; R24-L305 HydrophobicContact CB-CD2 4.01Å; R24-L305 HydrophobicContact CG-CD1 4.09Å; R24-L305 HydrophobicContact CG-CD2 3.58Å; R24-L305 HydrophobicContact CG-CG 3.84Å; R24-S306 PolarHBondContact NE-O 3.02Å; R24-S306 PolarHBondContact NH2-O 3.1Å; R24-I307 PolarHBondContact NE-O 3.45Å; R24-I307 PolarHBondContact NH1-O 2.72Å; R24-I307 PolarHBondContact NH2-O 2.78Å |
| 25 | L | 90.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 173.6 | -73.4 | 167.1 | 0 | 0 | 0 | 111.6 | L21 Q23 K29 V30 A35 V38 M39 L305 | L21-L25 WeakPolarHBondContact O-CB 3.2Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.47Å; Q23-L25 PolarHBondContact O-N 3.15Å; L25-K29 PolarHBondContact O-N 3.33Å; L25-V30 HydrophobicContact CD2-CB 4.11Å; L25-V30 HydrophobicContact CD2-CG1 4.14Å; L25-V30 HydrophobicContact CD2-CG2 3.93Å; L25-V30 WeakPolarHBondContact O-CB 3.44Å; L25-V30 PolarHBondContact O-N 3.2Å; L25-A35 HydrophobicContact CB-CB 4.13Å; L25-A35 HydrophobicContact CD1-CB 4.16Å; L25-A35 HydrophobicContact CD2-CB 4.5Å; L25-V38 HydrophobicContact CD1-CB 4.42Å; L25-V38 HydrophobicContact CD1-CG1 4.14Å; L25-M39 HydrophobicContact CD1-CG 4.1Å; L25-M39 HydrophobicContact CD1-SD 3.84Å; L25-L305 HydrophobicContact CD2-CD1 3.54Å; L25-L305 HydrophobicContact CG-CD1 3.98Å |
| 26 | R | 88.3 | Confident | 91.2 | Very high | 106 Ų | 106 | 54.1 Ų | 54.1 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -48.5 | 172.7 | -78.5 | -166.6 | -72.1 | -83.5 | -0.4 | 112.5 | D22 Q23 R24 Q28 K29 | D22-R26 PolarHBondContact O-N 3.23Å; D22-R26 VanDerWaalsContact O-N 3.14Å; D22-R26 IonicContact OD1-CZ 3.93Å; D22-R26 IonicContact OD1-NH1 3.64Å; D22-R26 PolarHBondContact OD1-NH1 2.89Å; D22-R26 IonicContact OD2-CZ 3.98Å; D22-R26 IonicContact OD2-NH1 2.93Å; D22-R26 PolarHBondContact OD2-NH1 2.91Å; D22-R26 IonicContact OD2-NH2 3.79Å; D22-R26 PolarHBondContact OD2-NH2 3.09Å; Q23-R26 WeakPolarHBondContact O-CB 3.44Å; Q23-R26 PolarHBondContact O-N 2.8Å; R24-R26 VanDerWaalsContact C-N 3.31Å; R24-R26 PolarHBondContact O-N 2.76Å; R26-Q28 VanDerWaalsContact C-N 3.27Å; R26-Q28 PolarHBondContact O-N 3.33Å; R26-K29 WeakPolarHBondContact O-CA 3.12Å; R26-K29 PolarHBondContact O-N 2.97Å |
| 27 | A | 85.7 | Confident | 90.9 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q23 R24 K29 | Q23-A27 WeakPolarHBondContact O-CB 3.25Å; Q23-A27 PolarHBondContact O-N 2.83Å; R24-A27 PolarHBondContact O-N 3.16Å; A27-K29 PolarHBondContact O-N 3.43Å |
| 28 | Q | 87.1 | Confident | 90.8 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.8 | 174.8 | -68.5 | -177 | -6.4 | 0 | 0 | 113.9 | R24 R26 V30 S306 | R24-Q28 VanDerWaalsContact NE-NE2 3.11Å; R24-Q28 WeakPolarHBondContact O-CB 3.42Å; R24-Q28 WeakPolarHBondContact O-CG 3.43Å; R24-Q28 PolarHBondContact O-N 3.15Å; R26-Q28 VanDerWaalsContact C-N 3.27Å; R26-Q28 PolarHBondContact O-N 3.33Å; Q28-V30 HydrophobicContact CB-CG2 4.07Å; Q28-V30 PolarHBondContact O-N 3.21Å; Q28-V30 VanDerWaalsContact O-N 3.13Å; Q28-S306 PolarHBondContact NE2-O 2.69Å |
| 29 | K | 87.7 | Confident | 90.7 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 66% | 0.661 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.4 | -179.1 | -58.2 | -177.9 | 177.7 | -178 | 0 | 113 | L25 R26 A27 K31 H289 | L25-K29 PolarHBondContact O-N 3.33Å; R26-K29 WeakPolarHBondContact O-CA 3.12Å; R26-K29 PolarHBondContact O-N 2.97Å; A27-K29 PolarHBondContact O-N 3.43Å; K29-K31 PolarHBondContact O-N 3.47Å; K29-H289 PolarHBondContact NZ-CE1 3.47Å; K29-H289 VanDerWaalsContact NZ-CE1 3.29Å |
| 30 | V | 88.4 | Confident | 90.7 | Very high | 30 Ų | 30 | 61.9 Ų | 61.9 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | trans | -61.4 | 135.1 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 109 | L25 Q28 R32 K34 A35 V303 | L25-V30 HydrophobicContact CD2-CB 4.11Å; L25-V30 HydrophobicContact CD2-CG1 4.14Å; L25-V30 HydrophobicContact CD2-CG2 3.93Å; L25-V30 WeakPolarHBondContact O-CB 3.44Å; L25-V30 PolarHBondContact O-N 3.2Å; Q28-V30 HydrophobicContact CB-CG2 4.07Å; Q28-V30 PolarHBondContact O-N 3.21Å; Q28-V30 VanDerWaalsContact O-N 3.13Å; V30-R32 PolarHBondContact O-N 3.47Å; V30-K34 HydrophobicContact CG1-CB 4.1Å; V30-K34 HydrophobicContact CG1-CD 4.5Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; V30-A35 HydrophobicContact CG1-CB 4.32Å; V30-V303 HydrophobicContact CG2-CG1 4.34Å | ||
| 31 | K | 91.4 | Very high | 90.7 | Very high | 174 Ų | 174 | 64 Ų | 64 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | trans | -48.7 | 128.2 | 179 | -67.6 | -177.2 | 179.8 | 179.3 | 0 | 110 | K29 E33 K34 A35 | K29-K31 PolarHBondContact O-N 3.47Å; K31-E33 PolarHBondContact O-N 3.49Å; K31-E33 VanDerWaalsContact O-N 3.07Å; K31-K34 HydrophobicContact CB-CB 4.39Å; K31-K34 WeakPolarHBondContact O-CA 3.06Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.81Å; K31-A35 PolarHBondContact O-N 2.83Å | ||
| 32 | R | 89.6 | Confident | 90.7 | Very high | 222 Ų | 222 | 64 Ų | 64 | 84% | 0.838 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -50.6 | -39.4 | -174.5 | -70.7 | -175 | 176.1 | 177.4 | -0.3 | 113.4 | V30 R36 | V30-R32 PolarHBondContact O-N 3.47Å; R32-R36 VanDerWaalsContact O-CB 3.31Å; R32-R36 WeakPolarHBondContact O-CB 3.39Å; R32-R36 PolarHBondContact O-N 2.79Å |
| 33 | E | 90.2 | Very high | 90.8 | Very high | 125 Ų | 125 | 62.9 Ų | 62.9 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.7 | -46.1 | 176.7 | -166.4 | 59.4 | -140.5 | 0 | 0 | 112.4 | K31 R36 R37 | K31-E33 PolarHBondContact O-N 3.49Å; K31-E33 VanDerWaalsContact O-N 3.07Å; E33-R36 PolarHBondContact O-N 3.05Å; E33-R36 IonicContact OE1-CZ 3.2Å; E33-R36 IonicContact OE1-NH1 3.79Å; E33-R36 PolarHBondContact OE1-NH1 3.15Å; E33-R36 IonicContact OE2-CZ 2.77Å; E33-R36 IonicContact OE2-NH1 2.81Å; E33-R36 PolarHBondContact OE2-NH1 3.15Å; E33-R36 IonicContact OE2-NH2 2.71Å; E33-R36 PolarHBondContact OE2-NH2 3.36Å; E33-R37 PolarHBondContact O-N 3.29Å |
| 34 | K | 90.7 | Very high | 91 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | -179.8 | -161.2 | 175.8 | -163.6 | -167.7 | 0 | 111 | V30 K31 R37 V38 I79 E301 G302 V303 | V30-K34 HydrophobicContact CG1-CB 4.1Å; V30-K34 HydrophobicContact CG1-CD 4.5Å; V30-K34 HydrophobicContact CG1-CG 4.47Å; K31-K34 HydrophobicContact CB-CB 4.39Å; K31-K34 WeakPolarHBondContact O-CA 3.06Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.81Å; K34-R37 PolarHBondContact O-N 3.22Å; K34-V38 WeakPolarHBondContact O-CG2 3.25Å; K34-V38 PolarHBondContact O-N 3.26Å; K34-I79 HydrophobicContact CG-CD1 3.99Å; K34-E301 VanDerWaalsContact CE-O 3.32Å; K34-E301 WeakPolarHBondContact CE-O 3.44Å; K34-E301 PolarHBondContact NZ-O 3.08Å; K34-G302 PolarHBondContact NZ-O 3.44Å; K34-V303 HydrophobicContact CD-CG2 3.41Å; K34-V303 VanDerWaalsContact CD-CG2 3.41Å; K34-V303 HydrophobicContact CG-CG2 3.88Å; K34-V303 VanDerWaalsContact NZ-CG2 3.33Å |
| 35 | A | 91.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 63.9 Ų | 63.9 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L25 V30 K31 R37 V38 M39 | L25-A35 HydrophobicContact CB-CB 4.13Å; L25-A35 HydrophobicContact CD1-CB 4.16Å; L25-A35 HydrophobicContact CD2-CB 4.5Å; V30-A35 HydrophobicContact CG1-CB 4.32Å; K31-A35 PolarHBondContact O-N 2.83Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.14Å; A35-V38 PolarHBondContact O-N 2.67Å; A35-M39 WeakPolarHBondContact O-CG 3Å; A35-M39 PolarHBondContact O-N 2.92Å |
| 36 | R | 91.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.4 | -158.8 | -175 | -30.2 | 103.2 | 1.7 | 112.1 | R32 E33 M39 N40 H127 | R32-R36 VanDerWaalsContact O-CB 3.31Å; R32-R36 WeakPolarHBondContact O-CB 3.39Å; R32-R36 PolarHBondContact O-N 2.79Å; E33-R36 PolarHBondContact O-N 3.05Å; E33-R36 IonicContact OE1-CZ 3.2Å; E33-R36 IonicContact OE1-NH1 3.79Å; E33-R36 PolarHBondContact OE1-NH1 3.15Å; E33-R36 IonicContact OE2-CZ 2.77Å; E33-R36 IonicContact OE2-NH1 2.81Å; E33-R36 PolarHBondContact OE2-NH1 3.15Å; E33-R36 IonicContact OE2-NH2 2.71Å; E33-R36 PolarHBondContact OE2-NH2 3.36Å; R36-M39 PolarHBondContact O-N 3.38Å; R36-N40 VanDerWaalsContact O-CB 3.31Å; R36-N40 WeakPolarHBondContact O-CB 3.12Å; R36-N40 VanDerWaalsContact O-CG 3.31Å; R36-N40 PolarHBondContact O-N 3.47Å; R36-N40 PolarHBondContact O-ND2 2.89Å; R36-H127 WeakPolarHBondContact CD-O 3.22Å; R36-H127 WeakPolarHBondContact CG-O 2.95Å |
| 37 | R | 92.2 | Very high | 91.7 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 53% | 0.525 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 175.1 | -178.6 | 176 | 174.9 | 179.4 | 0.5 | 111.6 | E33 K34 A35 M39 N40 E41 | E33-R37 PolarHBondContact O-N 3.29Å; K34-R37 PolarHBondContact O-N 3.22Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.14Å; R37-M39 PolarHBondContact O-N 2.84Å; R37-N40 PolarHBondContact O-N 3.37Å; R37-E41 HydrophobicContact CG-CG 4.42Å; R37-E41 WeakPolarHBondContact CG-OE1 3.11Å; R37-E41 IonicContact CZ-OE1 2.73Å; R37-E41 IonicContact NE-OE1 3.11Å; R37-E41 PolarHBondContact NE-OE1 3.37Å; R37-E41 IonicContact NH2-OE1 2.8Å; R37-E41 WeakPolarHBondContact O-CB 3.34Å; R37-E41 WeakPolarHBondContact O-CG 3.22Å; R37-E41 PolarHBondContact O-N 3.34Å |
| 38 | V | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.2 | -51.4 | 176.8 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | L25 K34 A35 N40 E41 I42 I79 M80 | L25-V38 HydrophobicContact CD1-CB 4.42Å; L25-V38 HydrophobicContact CD1-CG1 4.14Å; K34-V38 WeakPolarHBondContact O-CG2 3.25Å; K34-V38 PolarHBondContact O-N 3.26Å; A35-V38 PolarHBondContact O-N 2.67Å; V38-N40 PolarHBondContact O-N 3.1Å; V38-E41 PolarHBondContact O-N 2.95Å; V38-I42 HydrophobicContact CG1-CD1 3.91Å; V38-I42 WeakPolarHBondContact O-CG1 3.5Å; V38-I42 PolarHBondContact O-N 3.45Å; V38-I42 VanDerWaalsContact O-N 3.1Å; V38-I79 HydrophobicContact CG2-CD1 4.1Å; V38-I79 HydrophobicContact CG2-CG1 3.62Å; V38-M80 HydrophobicContact CG1-CB 3.87Å; V38-M80 HydrophobicContact CG1-CG 4.47Å; V38-M80 HydrophobicContact CG1-SD 4.09Å; V38-M80 HydrophobicContact CG2-CB 4.29Å |
| 39 | M | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | -179.1 | -65.8 | -46.7 | -64.2 | 0 | 0 | 112.3 | C18 L21 D22 L25 A35 R36 R37 E41 I42 V43 I125 | C18-M39 HydrophobicContact CB-CE 3.78Å; C18-M39 WeakPolarHBondContact O-CE 3.36Å; L21-M39 HydrophobicContact CB-CE 4.48Å; L21-M39 HydrophobicContact CB-SD 4.12Å; D22-M39 HydrophobicContact CB-CE 4.29Å; D22-M39 HydrophobicContact CB-SD 4.47Å; L25-M39 HydrophobicContact CD1-CG 4.1Å; L25-M39 HydrophobicContact CD1-SD 3.84Å; A35-M39 WeakPolarHBondContact O-CG 3Å; A35-M39 PolarHBondContact O-N 2.92Å; R36-M39 PolarHBondContact O-N 3.38Å; R37-M39 PolarHBondContact O-N 2.84Å; M39-E41 PolarHBondContact O-N 2.99Å; M39-I42 PolarHBondContact O-N 3.01Å; M39-V43 WeakPolarHBondContact O-CB 3.29Å; M39-V43 VanDerWaalsContact O-CG2 3.27Å; M39-V43 WeakPolarHBondContact O-CG2 3.28Å; M39-V43 PolarHBondContact O-N 3.22Å; M39-I125 HydrophobicContact CB-CG2 3.92Å; M39-I125 HydrophobicContact CE-CG2 3.66Å; M39-I125 HydrophobicContact CG-CG2 3.75Å; M39-I125 HydrophobicContact SD-CG2 4.47Å |
| 40 | N | 94 | Very high | 92.5 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.8 | -77.9 | -33.3 | 0 | 0 | 0 | 112.2 | R36 R37 V38 S44 V126 H127 | R36-N40 VanDerWaalsContact O-CB 3.31Å; R36-N40 WeakPolarHBondContact O-CB 3.12Å; R36-N40 VanDerWaalsContact O-CG 3.31Å; R36-N40 PolarHBondContact O-N 3.47Å; R36-N40 PolarHBondContact O-ND2 2.89Å; R37-N40 PolarHBondContact O-N 3.37Å; V38-N40 PolarHBondContact O-N 3.1Å; N40-S44 WeakPolarHBondContact O-CB 3.46Å; N40-S44 PolarHBondContact O-N 3.04Å; N40-S44 PolarHBondContact O-OG 2.88Å; N40-V126 WeakPolarHBondContact OD1-CB 3.33Å; N40-H127 PolarHBondContact ND2-O 3.36Å |
| 41 | E | 93.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.4 | -75.2 | 171.5 | -178.3 | 0 | 0 | 111.6 | R37 V38 M39 T45 S78 I79 | R37-E41 HydrophobicContact CG-CG 4.42Å; R37-E41 WeakPolarHBondContact CG-OE1 3.11Å; R37-E41 IonicContact CZ-OE1 2.73Å; R37-E41 IonicContact NE-OE1 3.11Å; R37-E41 PolarHBondContact NE-OE1 3.37Å; R37-E41 IonicContact NH2-OE1 2.8Å; R37-E41 WeakPolarHBondContact O-CB 3.34Å; R37-E41 WeakPolarHBondContact O-CG 3.22Å; R37-E41 PolarHBondContact O-N 3.34Å; V38-E41 PolarHBondContact O-N 2.95Å; M39-E41 PolarHBondContact O-N 2.99Å; E41-T45 PolarHBondContact O-N 3.34Å; E41-T45 PolarHBondContact O-OG1 3.45Å; E41-S78 VanDerWaalsContact OE2-CA 3.23Å; E41-S78 WeakPolarHBondContact OE2-CA 3.42Å; E41-S78 VanDerWaalsContact OE2-CB 3.29Å; E41-S78 WeakPolarHBondContact OE2-CB 3.4Å; E41-I79 PolarHBondContact OE2-N 3.33Å; E41-I79 VanDerWaalsContact OE2-N 3.1Å |
| 42 | I | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -52.6 | 178.4 | -66.6 | 172.8 | 0 | 0 | 0 | 110.5 | M17 L21 V38 M39 S44 T45 I46 M80 | M17-I42 HydrophobicContact CE-CG2 3.81Å; L21-I42 HydrophobicContact CD1-CD1 3.74Å; V38-I42 HydrophobicContact CG1-CD1 3.91Å; V38-I42 WeakPolarHBondContact O-CG1 3.5Å; V38-I42 PolarHBondContact O-N 3.45Å; V38-I42 VanDerWaalsContact O-N 3.1Å; M39-I42 PolarHBondContact O-N 3.01Å; I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 3.23Å; I42-T45 WeakPolarHBondContact O-CB 3.06Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 VanDerWaalsContact O-N 3.11Å; I42-I46 HydrophobicContact CG2-CD1 3.65Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 WeakPolarHBondContact O-CG1 3.48Å; I42-I46 PolarHBondContact O-N 2.93Å; I42-M80 HydrophobicContact CD1-CE 4.06Å |
| 43 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -177.7 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | M39 T45 I46 F47 I122 V126 T132 V136 | M39-V43 WeakPolarHBondContact O-CB 3.29Å; M39-V43 VanDerWaalsContact O-CG2 3.27Å; M39-V43 WeakPolarHBondContact O-CG2 3.28Å; M39-V43 PolarHBondContact O-N 3.22Å; V43-T45 PolarHBondContact O-N 3.28Å; V43-I46 PolarHBondContact O-N 3.48Å; V43-F47 HydrophobicContact CG1-CD2 3.6Å; V43-F47 HydrophobicContact CG1-CE2 4Å; V43-F47 WeakPolarHBondContact O-CD2 3.48Å; V43-F47 PolarHBondContact O-N 3.02Å; V43-I122 HydrophobicContact CG1-CG2 3.73Å; V43-I122 HydrophobicContact CG2-CG2 3.85Å; V43-V126 HydrophobicContact CB-CG1 3.74Å; V43-V126 HydrophobicContact CG1-CG1 3.83Å; V43-V126 HydrophobicContact CG2-CG1 3.62Å; V43-T132 HydrophobicContact CB-CG2 3.86Å; V43-T132 HydrophobicContact CG1-CG2 3.54Å; V43-V136 HydrophobicContact CG1-CG2 3.81Å |
| 44 | S | 94.1 | Very high | 93 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -27.9 | 177.3 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | N40 I42 G48 T132 Q135 | N40-S44 WeakPolarHBondContact O-CB 3.46Å; N40-S44 PolarHBondContact O-N 3.04Å; N40-S44 PolarHBondContact O-OG 2.88Å; I42-S44 VanDerWaalsContact C-N 3.33Å; I42-S44 PolarHBondContact O-N 3.23Å; S44-G48 WeakPolarHBondContact O-CA 3.39Å; S44-G48 PolarHBondContact O-N 3.36Å; S44-T132 WeakPolarHBondContact OG-CG2 3.36Å; S44-T132 PolarHBondContact OG-OG1 3.38Å; S44-Q135 VanDerWaalsContact CA-OE1 3.26Å; S44-Q135 PolarHBondContact O-NE2 3.49Å; S44-Q135 PolarHBondContact OG-OE1 3.36Å |
| 45 | T | 93.4 | Very high | 93.1 | Very high | 29 Ų | 29 | 33 Ų | 33 | 18% | 0.178 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77 | -44.7 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | E41 I42 V43 G48 L74 T352 | E41-T45 PolarHBondContact O-N 3.34Å; E41-T45 PolarHBondContact O-OG1 3.45Å; I42-T45 WeakPolarHBondContact O-CB 3.06Å; I42-T45 PolarHBondContact O-N 3.37Å; I42-T45 VanDerWaalsContact O-N 3.11Å; V43-T45 PolarHBondContact O-N 3.28Å; T45-G48 PolarHBondContact O-N 3.36Å; T45-L74 HydrophobicContact CG2-CD2 3.91Å; T45-T352 HydrophobicContact CG2-CG2 4.03Å |
| 46 | I | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.8 | -64.5 | 168.2 | 0 | 0 | 0 | 111.9 | A14 M17 I42 V43 F51 L74 | A14-I46 HydrophobicContact CB-CD1 3.97Å; A14-I46 HydrophobicContact CB-CG2 3.93Å; M17-I46 HydrophobicContact CE-CD1 3.46Å; M17-I46 VanDerWaalsContact CE-CD1 3.46Å; I42-I46 HydrophobicContact CG2-CD1 3.65Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 WeakPolarHBondContact O-CG1 3.48Å; I42-I46 PolarHBondContact O-N 2.93Å; V43-I46 PolarHBondContact O-N 3.48Å; I46-F51 WeakPolarHBondContact O-CD1 3.46Å; I46-F51 WeakPolarHBondContact O-CE1 3.49Å; I46-L74 HydrophobicContact CG1-CB 4.47Å; I46-L74 HydrophobicContact CG1-CD1 4.1Å; I46-L74 HydrophobicContact CG1-CD2 3.85Å; I46-L74 HydrophobicContact CG1-CG 4.35Å |
| 47 | F | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 21.3 | -177.9 | -58.7 | -76.6 | 0 | 0 | 0 | 112.6 | F11 V43 L52 L119 I122 Q135 V136 A139 | F11-F47 AromaticContact CD1-CE1 3.91Å; F11-F47 HydrophobicContact CD1-CE1 3.91Å; F11-F47 HydrophobicContact CE1-CD1 4.11Å; F11-F47 AromaticContact CE1-CE1 3.73Å; F11-F47 HydrophobicContact CE1-CE1 3.73Å; F11-F47 HydrophobicContact CE2-CE1 4.47Å; F11-F47 HydrophobicContact CG-CE1 4.35Å; F11-F47 HydrophobicContact CZ-CD1 4.3Å; F11-F47 HydrophobicContact CZ-CE1 4.03Å; V43-F47 HydrophobicContact CG1-CD2 3.6Å; V43-F47 HydrophobicContact CG1-CE2 4Å; V43-F47 WeakPolarHBondContact O-CD2 3.48Å; V43-F47 PolarHBondContact O-N 3.02Å; F47-L52 HydrophobicContact CB-CD1 4.35Å; F47-L52 HydrophobicContact CD1-CD2 4.21Å; F47-L52 WeakPolarHBondContact O-CD1 3.44Å; F47-L119 HydrophobicContact CE1-CD2 3.57Å; F47-L119 HydrophobicContact CZ-CD2 3.67Å; F47-I122 HydrophobicContact CE2-CD1 3.88Å; F47-I122 HydrophobicContact CE2-CG2 4.09Å; F47-I122 HydrophobicContact CZ-CD1 3.74Å; F47-Q135 HydrophobicContact CB-CB 3.96Å; F47-Q135 WeakPolarHBondContact O-CB 3.24Å; F47-V136 HydrophobicContact CD2-CG2 4.06Å; F47-V136 HydrophobicContact CE2-CG2 4.41Å; F47-V136 HydrophobicContact CG-CG2 4.43Å; F47-A139 HydrophobicContact CD1-CB 3.46Å; F47-A139 VanDerWaalsContact CD1-CB 3.46Å; F47-A139 HydrophobicContact CE1-CB 3.91Å; F47-A139 HydrophobicContact CG-CB 4.41Å |
| 48 | G | 93.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | trans | -61.4 | 136 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | S44 T45 L50 F51 L52 | S44-G48 WeakPolarHBondContact O-CA 3.39Å; S44-G48 PolarHBondContact O-N 3.36Å; T45-G48 PolarHBondContact O-N 3.36Å; G48-L50 VanDerWaalsContact C-N 3.33Å; G48-L50 PolarHBondContact O-N 2.97Å; G48-F51 WeakPolarHBondContact O-CB 3.47Å; G48-F51 PolarHBondContact O-N 3.42Å; G48-L52 PolarHBondContact O-N 3.29Å | ||
| 49 | A | 91.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 41% | 0.405 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -52.7 | -47.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F51 L52 E53 | A49-F51 VanDerWaalsContact C-N 3.33Å; A49-F51 PolarHBondContact O-N 2.87Å; A49-L52 PolarHBondContact O-N 2.9Å; A49-E53 WeakPolarHBondContact O-CG 3.38Å; A49-E53 PolarHBondContact O-N 2.97Å |
| 50 | L | 90.9 | Very high | 93.3 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 179.5 | -62.4 | 167.3 | 0 | 0 | 0 | 112.3 | G48 K54 S349 L353 | G48-L50 VanDerWaalsContact C-N 3.33Å; G48-L50 PolarHBondContact O-N 2.97Å; L50-K54 PolarHBondContact O-N 3.49Å; L50-S349 WeakPolarHBondContact CD1-OG 3.38Å; L50-L353 HydrophobicContact CB-CD1 3.68Å; L50-L353 HydrophobicContact CB-CD2 3.73Å; L50-L353 HydrophobicContact CB-CG 4.13Å; L50-L353 HydrophobicContact CD1-CD1 3.74Å; L50-L353 HydrophobicContact CG-CD1 4.24Å; L50-L353 WeakPolarHBondContact O-CD2 3.45Å |
| 51 | F | 92 | Very high | 93.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 175.5 | -178.6 | -90.7 | 0 | 0 | 0 | 110.5 | V10 I46 G48 A49 K54 L55 L70 L356 | V10-F51 HydrophobicContact CG1-CE1 4.24Å; V10-F51 HydrophobicContact CG1-CZ 4.46Å; I46-F51 WeakPolarHBondContact O-CD1 3.46Å; I46-F51 WeakPolarHBondContact O-CE1 3.49Å; G48-F51 WeakPolarHBondContact O-CB 3.47Å; G48-F51 PolarHBondContact O-N 3.42Å; A49-F51 VanDerWaalsContact C-N 3.33Å; A49-F51 PolarHBondContact O-N 2.87Å; F51-K54 PolarHBondContact O-N 2.86Å; F51-L55 HydrophobicContact CE1-CB 4.41Å; F51-L55 HydrophobicContact CE1-CD1 4.48Å; F51-L55 HydrophobicContact CE1-CD2 4.03Å; F51-L55 VanDerWaalsContact O-CB 3.23Å; F51-L55 WeakPolarHBondContact O-CB 3.37Å; F51-L55 PolarHBondContact O-N 2.82Å; F51-L70 HydrophobicContact CE2-CD1 3.93Å; F51-L70 HydrophobicContact CZ-CD1 4.15Å; F51-L70 HydrophobicContact CZ-CD2 4.43Å; F51-L356 HydrophobicContact CB-CD1 4.43Å; F51-L356 HydrophobicContact CD2-CD1 3.12Å; F51-L356 HydrophobicContact CD2-CG 4.24Å; F51-L356 HydrophobicContact CE2-CD1 3.32Å; F51-L356 HydrophobicContact CE2-CG 4Å; F51-L356 HydrophobicContact CG-CD1 3.88Å; F51-L356 HydrophobicContact CZ-CD1 4.26Å |
| 52 | L | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 176.6 | -72.3 | 177.6 | 0 | 0 | 0 | 112.4 | F11 F47 G48 A49 K54 L55 F56 A139 I142 | F11-L52 HydrophobicContact CE1-CD2 3.59Å; F11-L52 HydrophobicContact CZ-CD2 3.63Å; F47-L52 HydrophobicContact CB-CD1 4.35Å; F47-L52 HydrophobicContact CD1-CD2 4.21Å; F47-L52 WeakPolarHBondContact O-CD1 3.44Å; G48-L52 PolarHBondContact O-N 3.29Å; A49-L52 PolarHBondContact O-N 2.9Å; L52-K54 VanDerWaalsContact C-N 3.29Å; L52-K54 PolarHBondContact O-N 3.47Å; L52-L55 HydrophobicContact CD2-CD2 4.36Å; L52-L55 PolarHBondContact O-N 3.21Å; L52-F56 HydrophobicContact CD2-CE2 4.3Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 PolarHBondContact O-N 3.33Å; L52-A139 HydrophobicContact CD1-CB 4.04Å; L52-A139 HydrophobicContact CD2-CB 4.42Å; L52-I142 HydrophobicContact CB-CD1 4.39Å; L52-I142 HydrophobicContact CD1-CD1 4.49Å |
| 53 | E | 92.5 | Very high | 93 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.2 | -48.4 | 175.8 | -76.4 | 172.9 | -174.9 | 0 | 0 | 111 | A49 F56 E57 | A49-E53 WeakPolarHBondContact O-CG 3.38Å; A49-E53 PolarHBondContact O-N 2.97Å; E53-F56 PolarHBondContact O-N 3.25Å; E53-E57 PolarHBondContact O-N 3.43Å |
| 54 | K | 91.8 | Very high | 92.9 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 177.8 | -72.5 | -52.9 | -169.4 | 179.7 | 0 | 114.2 | L50 F51 L52 F56 E57 Q59 L353 L356 | L50-K54 PolarHBondContact O-N 3.49Å; F51-K54 PolarHBondContact O-N 2.86Å; L52-K54 VanDerWaalsContact C-N 3.29Å; L52-K54 PolarHBondContact O-N 3.47Å; K54-F56 VanDerWaalsContact C-N 3.27Å; K54-F56 PolarHBondContact O-N 2.96Å; K54-E57 WeakPolarHBondContact CD-OE1 3.39Å; K54-E57 VanDerWaalsContact CD-OE2 3.3Å; K54-E57 WeakPolarHBondContact CD-OE2 3.46Å; K54-E57 VanDerWaalsContact NZ-CD 3.25Å; K54-E57 IonicContact NZ-OE1 3.6Å; K54-E57 PolarHBondContact NZ-OE1 2.86Å; K54-E57 IonicContact NZ-OE2 2.71Å; K54-E57 PolarHBondContact NZ-OE2 3.38Å; K54-E57 WeakPolarHBondContact O-CB 3.37Å; K54-E57 PolarHBondContact O-N 3.43Å; K54-Q59 PolarHBondContact O-NE2 2.81Å; K54-L353 HydrophobicContact CG-CD2 3.84Å; K54-L356 HydrophobicContact CB-CB 4.19Å; K54-L356 HydrophobicContact CB-CD1 3.72Å; K54-L356 HydrophobicContact CB-CD2 4.1Å; K54-L356 HydrophobicContact CB-CG 4.25Å |
| 55 | L | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 177.9 | -177.1 | 67.2 | 0 | 0 | 0 | 111.6 | L6 P7 V10 F11 F51 L52 | L6-L55 HydrophobicContact CD2-CD1 3.94Å; L6-L55 HydrophobicContact CG-CD1 3.71Å; P7-L55 HydrophobicContact CB-CD2 4.32Å; P7-L55 HydrophobicContact CB-CG 4.2Å; P7-L55 HydrophobicContact CG-CG 4.22Å; P7-L55 WeakPolarHBondContact CG-O 3.21Å; V10-L55 HydrophobicContact CB-CD1 3.95Å; V10-L55 HydrophobicContact CB-CD2 4.13Å; V10-L55 HydrophobicContact CG1-CD1 4.3Å; V10-L55 HydrophobicContact CG1-CD2 4.05Å; V10-L55 HydrophobicContact CG2-CD1 3.68Å; F11-L55 HydrophobicContact CD1-CD2 4.06Å; F11-L55 HydrophobicContact CE1-CD2 3.65Å; F51-L55 HydrophobicContact CE1-CB 4.41Å; F51-L55 HydrophobicContact CE1-CD1 4.48Å; F51-L55 HydrophobicContact CE1-CD2 4.03Å; F51-L55 VanDerWaalsContact O-CB 3.23Å; F51-L55 WeakPolarHBondContact O-CB 3.37Å; F51-L55 PolarHBondContact O-N 2.82Å; L52-L55 HydrophobicContact CD2-CD2 4.36Å; L52-L55 PolarHBondContact O-N 3.21Å |
| 56 | F | 94.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.3 | -179.2 | -82.4 | -100.5 | 0 | 0 | 0 | 114.2 | P7 F11 L52 E53 K54 I142 T146 Y147 | P7-F56 HydrophobicContact CB-CD1 4.3Å; P7-F56 HydrophobicContact CB-CD2 4.12Å; P7-F56 HydrophobicContact CB-CE1 3.96Å; P7-F56 HydrophobicContact CB-CE2 3.79Å; P7-F56 HydrophobicContact CB-CG 4.38Å; P7-F56 HydrophobicContact CB-CZ 3.71Å; P7-F56 HydrophobicContact CG-CD1 3.99Å; P7-F56 HydrophobicContact CG-CD2 4.1Å; P7-F56 HydrophobicContact CG-CE1 4.15Å; P7-F56 HydrophobicContact CG-CE2 4.26Å; P7-F56 HydrophobicContact CG-CG 3.98Å; P7-F56 HydrophobicContact CG-CZ 4.3Å; F11-F56 HydrophobicContact CE1-CE2 4.25Å; F11-F56 HydrophobicContact CE2-CE2 4.23Å; F11-F56 HydrophobicContact CE2-CZ 4.08Å; F11-F56 AromaticContact CZ-CE2 3.64Å; F11-F56 HydrophobicContact CZ-CE2 3.64Å; F11-F56 AromaticContact CZ-CZ 3.96Å; F11-F56 HydrophobicContact CZ-CZ 3.96Å; L52-F56 HydrophobicContact CD2-CE2 4.3Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 PolarHBondContact O-N 3.33Å; E53-F56 PolarHBondContact O-N 3.25Å; K54-F56 VanDerWaalsContact C-N 3.27Å; K54-F56 PolarHBondContact O-N 2.96Å; F56-I142 HydrophobicContact CD1-CG2 3.45Å; F56-I142 VanDerWaalsContact CD1-CG2 3.45Å; F56-I142 HydrophobicContact CD2-CG2 3.93Å; F56-I142 HydrophobicContact CE1-CB 4.39Å; F56-I142 HydrophobicContact CE1-CG2 3.41Å; F56-I142 VanDerWaalsContact CE1-CG2 3.41Å; F56-I142 HydrophobicContact CE2-CG2 3.88Å; F56-I142 HydrophobicContact CG-CG2 3.72Å; F56-I142 HydrophobicContact CZ-CB 4.24Å; F56-I142 HydrophobicContact CZ-CG2 3.62Å; F56-T146 HydrophobicContact CD1-CG2 4.1Å; F56-T146 HydrophobicContact CE1-CG2 4.2Å; F56-Y147 AromaticContact CE1-CE2 3.76Å; F56-Y147 HydrophobicContact CE1-CE2 3.76Å; F56-Y147 HydrophobicContact CZ-CE2 4.41Å |
| 57 | E | 93.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -61.1 | 132 | 167.5 | -74.3 | 178.3 | 173.7 | 0 | 0 | 109.6 | E53 K54 Q59 | E53-E57 PolarHBondContact O-N 3.43Å; K54-E57 WeakPolarHBondContact CD-OE1 3.39Å; K54-E57 VanDerWaalsContact CD-OE2 3.3Å; K54-E57 WeakPolarHBondContact CD-OE2 3.46Å; K54-E57 VanDerWaalsContact NZ-CD 3.25Å; K54-E57 IonicContact NZ-OE1 3.6Å; K54-E57 PolarHBondContact NZ-OE1 2.86Å; K54-E57 IonicContact NZ-OE2 2.71Å; K54-E57 PolarHBondContact NZ-OE2 3.38Å; K54-E57 WeakPolarHBondContact O-CB 3.37Å; K54-E57 PolarHBondContact O-N 3.43Å; E57-Q59 PolarHBondContact O-N 2.87Å; E57-Q59 VanDerWaalsContact O-N 3.11Å; E57-Q59 PolarHBondContact O-NE2 2.72Å |
| 58 | P | 93.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | trans | -59.8 | 116.7 | 177.9 | -23.5 | 33.7 | 0 | 0 | 0 | 111.4 | L3 | L3-P58 HydrophobicContact CB-CB 4.01Å; L3-P58 HydrophobicContact CD1-CB 4.49Å; L3-P58 CarbonylContact O-C 3.57Å; L3-P58 VanDerWaalsContact O-CA 3.3Å; L3-P58 WeakPolarHBondContact O-CA 3.47Å | ||
| 59 | Q | 92.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 15% | 0.15 | 29% | 0.289 | C | S | . | . | trans | -152.4 | 155 | -175.8 | 67.7 | -162.7 | -81.3 | 0 | 0 | 111.4 | L3 L6 K54 E57 | L3-Q59 CarbonylContact C-O 3.6Å; L3-Q59 VanDerWaalsContact C-O 3.3Å; L3-Q59 WeakPolarHBondContact CA-O 3.45Å; L3-Q59 PolarHBondContact O-N 3.29Å; L3-Q59 VanDerWaalsContact O-O 3.07Å; L6-Q59 HydrophobicContact CB-CG 4.4Å; L6-Q59 HydrophobicContact CD2-CG 3.79Å; L6-Q59 VanDerWaalsContact CD2-OE1 3.29Å; K54-Q59 PolarHBondContact O-NE2 2.81Å; E57-Q59 PolarHBondContact O-N 2.87Å; E57-Q59 VanDerWaalsContact O-N 3.11Å; E57-Q59 PolarHBondContact O-NE2 2.72Å | ||
| 60 | E | 91.9 | Very high | 92.8 | Very high | 127 Ų | 127 | 55 Ų | 55 | 59% | 0.593 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 157.9 | 172 | -61.7 | -157.6 | 140 | 0 | 0 | 111.1 | L3 P62 | L3-E60 HydrophobicContact CD2-CG 3.66Å; E60-P62 WeakPolarHBondContact O-CD 3.13Å |
| 61 | L | 93.2 | Very high | 93 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 127.2 | 173.1 | -74 | -174.8 | 0 | 0 | 0 | 109.2 | A5 L6 L9 T161 L162 F165 | A5-L61 HydrophobicContact CB-CD1 4.17Å; A5-L61 HydrophobicContact CB-CD2 3.84Å; A5-L61 HydrophobicContact CB-CG 3.99Å; L6-L61 HydrophobicContact CB-CD2 3.91Å; L6-L61 HydrophobicContact CD1-CD2 4.01Å; L9-L61 HydrophobicContact CB-CD2 4.47Å; L9-L61 HydrophobicContact CD2-CD2 3.97Å; L61-T161 HydrophobicContact CD1-CG2 3.61Å; L61-T161 HydrophobicContact CG-CG2 3.95Å; L61-L162 HydrophobicContact CD1-CD2 4.25Å; L61-F165 HydrophobicContact CD1-CB 3.79Å; L61-F165 HydrophobicContact CD1-CD2 4.16Å; L61-F165 HydrophobicContact CD1-CG 4.17Å |
| 62 | P | 92 | Very high | 93.1 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 161.1 | 169.3 | -19.2 | 31.7 | 0 | 0 | 0 | 110.7 | L6 E60 T66 V67 F165 L359 | L6-P62 HydrophobicContact CD1-CG 4.27Å; L6-P62 HydrophobicContact CD2-CG 4.47Å; E60-P62 WeakPolarHBondContact O-CD 3.13Å; P62-T66 HydrophobicContact CB-CG2 3.71Å; P62-V67 HydrophobicContact CB-CG2 4.2Å; P62-F165 WeakPolarHBondContact O-CE2 3.23Å; P62-L359 HydrophobicContact CB-CD2 4.47Å; P62-L359 HydrophobicContact CG-CD2 4.39Å |
| 63 | N | 91.5 | Very high | 93 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 166.6 | 173.4 | 72.3 | 47.5 | 0 | 0 | 0 | 111.3 | D65 T66 V67 | N63-D65 VanDerWaalsContact C-N 3.34Å; N63-D65 PolarHBondContact O-N 2.87Å; N63-D65 PolarHBondContact OD1-N 3.46Å; N63-D65 VanDerWaalsContact OD1-N 3.12Å; N63-T66 PolarHBondContact ND2-OG1 3.24Å; N63-T66 PolarHBondContact O-N 3.26Å; N63-T66 WeakPolarHBondContact OD1-CB 3.33Å; N63-T66 PolarHBondContact OD1-N 3.24Å; N63-T66 PolarHBondContact OD1-OG1 2.9Å; N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 3.42Å; N63-V67 VanDerWaalsContact O-N 3.07Å |
| 64 | R | 91.4 | Very high | 93.1 | Very high | 85 Ų | 85 | 53 Ų | 53 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | -174 | -70 | 175.5 | 59.4 | -166.3 | -6.7 | 113.2 | T66 V67 R68 Y91 F165 T169 | R64-T66 VanDerWaalsContact C-N 3.34Å; R64-V67 PolarHBondContact O-N 3.31Å; R64-R68 WeakPolarHBondContact O-CB 3.47Å; R64-R68 PolarHBondContact O-N 2.99Å; R64-Y91 PolarHBondContact O-OH 3.08Å; R64-F165 HydrophobicContact CB-CZ 4.45Å; R64-F165 HydrophobicContact CG-CD2 4.32Å; R64-F165 HydrophobicContact CG-CE1 4.4Å; R64-F165 HydrophobicContact CG-CE2 3.74Å; R64-F165 HydrophobicContact CG-CZ 3.78Å; R64-T169 PolarHBondContact NH1-OG1 2.97Å; R64-T169 PolarHBondContact NH2-OG1 2.72Å |
| 65 | D | 92 | Very high | 93 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.9 | -38.5 | -179.7 | -60.6 | -39.3 | 0 | 0 | 0 | 111.1 | N63 R68 L69 | N63-D65 VanDerWaalsContact C-N 3.34Å; N63-D65 PolarHBondContact O-N 2.87Å; N63-D65 PolarHBondContact OD1-N 3.46Å; N63-D65 VanDerWaalsContact OD1-N 3.12Å; D65-R68 WeakPolarHBondContact O-CB 3.26Å; D65-R68 PolarHBondContact O-N 3.48Å; D65-L69 WeakPolarHBondContact O-CB 3.28Å; D65-L69 PolarHBondContact O-N 2.92Å |
| 66 | T | 93.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 174.1 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | P62 N63 R64 R68 L69 L70 L359 | P62-T66 HydrophobicContact CB-CG2 3.71Å; N63-T66 PolarHBondContact ND2-OG1 3.24Å; N63-T66 PolarHBondContact O-N 3.26Å; N63-T66 WeakPolarHBondContact OD1-CB 3.33Å; N63-T66 PolarHBondContact OD1-N 3.24Å; N63-T66 PolarHBondContact OD1-OG1 2.9Å; R64-T66 VanDerWaalsContact C-N 3.34Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.14Å; T66-L69 PolarHBondContact O-N 3.39Å; T66-L70 PolarHBondContact O-N 3.09Å; T66-L359 HydrophobicContact CG2-CD2 2.9Å; T66-L359 HydrophobicContact CG2-CG 4.39Å |
| 67 | V | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L9 M13 P62 N63 R64 L70 F71 Y91 F165 | L9-V67 HydrophobicContact CD2-CG1 4.47Å; L9-V67 HydrophobicContact CD2-CG2 4.22Å; M13-V67 HydrophobicContact CE-CG1 4.46Å; M13-V67 HydrophobicContact SD-CG1 4.3Å; P62-V67 HydrophobicContact CB-CG2 4.2Å; N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 3.42Å; N63-V67 VanDerWaalsContact O-N 3.07Å; R64-V67 PolarHBondContact O-N 3.31Å; V67-L70 WeakPolarHBondContact O-CB 3.13Å; V67-L70 PolarHBondContact O-N 3.22Å; V67-F71 HydrophobicContact CG1-CD2 3.83Å; V67-F71 HydrophobicContact CG1-CE2 3.85Å; V67-F71 VanDerWaalsContact O-CD2 3.32Å; V67-F71 WeakPolarHBondContact O-CD2 3.33Å; V67-F71 PolarHBondContact O-N 3Å; V67-F71 VanDerWaalsContact O-N 3.08Å; V67-Y91 HydrophobicContact CG1-CE2 4.41Å; V67-F165 HydrophobicContact CB-CZ 4.07Å; V67-F165 HydrophobicContact CG1-CZ 4.23Å; V67-F165 HydrophobicContact CG2-CE2 4Å; V67-F165 HydrophobicContact CG2-CZ 3.9Å |
| 68 | R | 93.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.2 | 178.2 | -178.7 | -75.6 | -175.7 | -9.4 | 111.7 | R64 D65 T66 L70 F71 E72 D88 Y91 D92 | R64-R68 WeakPolarHBondContact O-CB 3.47Å; R64-R68 PolarHBondContact O-N 2.99Å; D65-R68 WeakPolarHBondContact O-CB 3.26Å; D65-R68 PolarHBondContact O-N 3.48Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact O-N 3.14Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 2.98Å; R68-F71 PolarHBondContact O-N 2.67Å; R68-F71 VanDerWaalsContact O-N 3.16Å; R68-E72 PolarHBondContact O-N 2.79Å; R68-D88 IonicContact NH1-OD1 3.15Å; R68-Y91 HydrophobicContact CB-CD2 3.65Å; R68-Y91 HydrophobicContact CB-CE2 3.51Å; R68-Y91 HydrophobicContact CB-CG 4.29Å; R68-Y91 HydrophobicContact CG-CD2 3.77Å; R68-Y91 HydrophobicContact CG-CE2 4.16Å; R68-Y91 HydrophobicContact CG-CG 4.04Å; R68-D92 IonicContact NH2-OD1 3.88Å |
| 69 | L | 93.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -38 | 177 | -178.1 | 62.9 | 0 | 0 | 0 | 111.9 | D65 T66 E72 K73 | D65-L69 WeakPolarHBondContact O-CB 3.28Å; D65-L69 PolarHBondContact O-N 2.92Å; T66-L69 PolarHBondContact O-N 3.39Å; L69-E72 PolarHBondContact O-N 2.79Å; L69-K73 WeakPolarHBondContact O-CG 3.46Å; L69-K73 PolarHBondContact O-N 2.7Å; L69-K73 VanDerWaalsContact O-N 3.07Å |
| 70 | L | 94.3 | Very high | 92 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -51.1 | 173.5 | 172.7 | 63 | 0 | 0 | 0 | 110.7 | V10 F51 T66 V67 R68 E72 K73 L74 | V10-L70 HydrophobicContact CG2-CD2 4.23Å; F51-L70 HydrophobicContact CE2-CD1 3.93Å; F51-L70 HydrophobicContact CZ-CD1 4.15Å; F51-L70 HydrophobicContact CZ-CD2 4.43Å; T66-L70 PolarHBondContact O-N 3.09Å; V67-L70 WeakPolarHBondContact O-CB 3.13Å; V67-L70 PolarHBondContact O-N 3.22Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 2.98Å; L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.04Å; L70-K73 PolarHBondContact O-N 3.19Å; L70-L74 HydrophobicContact CD1-CD1 4.1Å; L70-L74 HydrophobicContact CD1-CG 4.24Å; L70-L74 HydrophobicContact CG-CD1 3.99Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.34Å |
| 71 | F | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -29.5 | -179.8 | -83.2 | -76.1 | 0 | 0 | 0 | 114 | V10 M13 A14 M17 V67 R68 L74 A75 M94 | V10-F71 HydrophobicContact CG1-CZ 4.41Å; M13-F71 HydrophobicContact CB-CE1 4.1Å; M13-F71 HydrophobicContact CB-CE2 3.76Å; M13-F71 HydrophobicContact CB-CZ 3.38Å; M13-F71 HydrophobicContact CE-CD2 4.22Å; M13-F71 HydrophobicContact CE-CE2 4.05Å; M13-F71 HydrophobicContact SD-CE2 4.07Å; A14-F71 HydrophobicContact CB-CE1 4.18Å; M17-F71 HydrophobicContact CE-CD1 4.06Å; M17-F71 HydrophobicContact CE-CE1 4.29Å; M17-F71 HydrophobicContact SD-CD1 3.8Å; M17-F71 HydrophobicContact SD-CE1 4.47Å; V67-F71 HydrophobicContact CG1-CD2 3.83Å; V67-F71 HydrophobicContact CG1-CE2 3.85Å; V67-F71 VanDerWaalsContact O-CD2 3.32Å; V67-F71 WeakPolarHBondContact O-CD2 3.33Å; V67-F71 PolarHBondContact O-N 3Å; V67-F71 VanDerWaalsContact O-N 3.08Å; R68-F71 PolarHBondContact O-N 2.67Å; R68-F71 VanDerWaalsContact O-N 3.16Å; F71-L74 HydrophobicContact CD1-CD1 4.06Å; F71-L74 HydrophobicContact CE1-CD1 4.19Å; F71-L74 PolarHBondContact O-N 3.42Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.48Å; F71-M94 HydrophobicContact CB-CE 3.53Å; F71-M94 HydrophobicContact CB-SD 4.41Å; F71-M94 HydrophobicContact CD1-CE 4.03Å; F71-M94 HydrophobicContact CD1-SD 4Å; F71-M94 HydrophobicContact CD2-CE 3.67Å; F71-M94 HydrophobicContact CE1-SD 4.43Å; F71-M94 HydrophobicContact CE2-CE 4.4Å; F71-M94 HydrophobicContact CG-CE 3.46Å; F71-M94 VanDerWaalsContact CG-CE 3.46Å; F71-M94 HydrophobicContact CG-SD 4.06Å |
| 72 | E | 92.7 | Very high | 91.3 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 168.1 | 179.5 | -178.8 | 165 | 0 | 0 | 112 | R68 L69 L70 L74 A75 H76 Q87 | R68-E72 PolarHBondContact O-N 2.79Å; L69-E72 PolarHBondContact O-N 2.79Å; L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.04Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.05Å; E72-A75 PolarHBondContact O-N 2.95Å; E72-H76 WeakPolarHBondContact O-CB 3.49Å; E72-H76 PolarHBondContact O-CD2 3.48Å; E72-H76 PolarHBondContact O-N 3.38Å; E72-Q87 HydrophobicContact CB-CG 4.18Å; E72-Q87 HydrophobicContact CG-CG 4.06Å |
| 73 | K | 93 | Very high | 91.1 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.6 | -34.7 | 179.8 | -65.9 | -176.1 | 178.1 | -164.1 | 0 | 112.3 | L69 L70 H76 S77 L355 | L69-K73 WeakPolarHBondContact O-CG 3.46Å; L69-K73 PolarHBondContact O-N 2.7Å; L69-K73 VanDerWaalsContact O-N 3.07Å; L70-K73 PolarHBondContact O-N 3.19Å; K73-H76 CarbonylContact O-C 3.5Å; K73-H76 PolarHBondContact O-N 3.28Å; K73-S77 PolarHBondContact O-N 3.37Å; K73-L355 HydrophobicContact CB-CD1 4.48Å; K73-L355 HydrophobicContact CD-CD1 3.15Å; K73-L355 HydrophobicContact CD-CD2 4.03Å; K73-L355 HydrophobicContact CD-CG 4.2Å; K73-L355 HydrophobicContact CG-CD1 4.42Å |
| 74 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 173 | -69.3 | 171.6 | 0 | 0 | 0 | 111.8 | M17 T45 I46 L70 F71 E72 H76 S77 T352 | M17-L74 HydrophobicContact CE-CB 4.4Å; T45-L74 HydrophobicContact CG2-CD2 3.91Å; I46-L74 HydrophobicContact CG1-CB 4.47Å; I46-L74 HydrophobicContact CG1-CD1 4.1Å; I46-L74 HydrophobicContact CG1-CD2 3.85Å; I46-L74 HydrophobicContact CG1-CG 4.35Å; L70-L74 HydrophobicContact CD1-CD1 4.1Å; L70-L74 HydrophobicContact CD1-CG 4.24Å; L70-L74 HydrophobicContact CG-CD1 3.99Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 3.34Å; F71-L74 HydrophobicContact CD1-CD1 4.06Å; F71-L74 HydrophobicContact CE1-CD1 4.19Å; F71-L74 PolarHBondContact O-N 3.42Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.05Å; L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 3.47Å; L74-S77 VanDerWaalsContact O-CB 3.32Å; L74-S77 WeakPolarHBondContact O-CB 3.27Å; L74-S77 PolarHBondContact O-N 2.91Å; L74-S77 PolarHBondContact O-OG 2.85Å; L74-T352 HydrophobicContact CD2-CG2 4.34Å |
| 75 | A | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | M17 F71 E72 S77 S78 M80 L82 | M17-A75 HydrophobicContact SD-CB 4.33Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.48Å; E72-A75 PolarHBondContact O-N 2.95Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S78 PolarHBondContact O-OG 2.81Å; A75-M80 HydrophobicContact CB-CE 4.37Å; A75-L82 HydrophobicContact CB-CD1 4.09Å |
| 76 | H | 91.7 | Very high | 90.6 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.5 | 177.9 | -70.4 | -60.9 | 0 | 0 | 0 | 115.2 | E72 K73 L74 S78 R81 L82 | E72-H76 WeakPolarHBondContact O-CB 3.49Å; E72-H76 PolarHBondContact O-CD2 3.48Å; E72-H76 PolarHBondContact O-N 3.38Å; K73-H76 CarbonylContact O-C 3.5Å; K73-H76 PolarHBondContact O-N 3.28Å; L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 3.47Å; H76-S78 PolarHBondContact O-N 2.89Å; H76-R81 PolarHBondContact O-NH1 2.98Å; H76-L82 PolarHBondContact CE1-N 2.8Å |
| 77 | S | 90.2 | Very high | 90.4 | Very high | 35 Ų | 35 | 36.2 Ų | 36.2 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.7 | 174.8 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | K73 L74 A75 | K73-S77 PolarHBondContact O-N 3.37Å; L74-S77 VanDerWaalsContact O-CB 3.32Å; L74-S77 WeakPolarHBondContact O-CB 3.27Å; L74-S77 PolarHBondContact O-N 2.91Å; L74-S77 PolarHBondContact O-OG 2.85Å; A75-S77 VanDerWaalsContact C-N 3.34Å |
| 78 | S | 89.4 | Confident | 90.3 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -97.9 | -178.9 | 176.6 | 69.5 | 0 | 0 | 0 | 0 | 112.9 | E41 A75 H76 M80 R81 | E41-S78 VanDerWaalsContact OE2-CA 3.23Å; E41-S78 WeakPolarHBondContact OE2-CA 3.42Å; E41-S78 VanDerWaalsContact OE2-CB 3.29Å; E41-S78 WeakPolarHBondContact OE2-CB 3.4Å; A75-S78 PolarHBondContact O-OG 2.81Å; H76-S78 PolarHBondContact O-N 2.89Å; S78-M80 PolarHBondContact O-N 2.89Å; S78-M80 VanDerWaalsContact OG-CB 3.3Å; S78-M80 WeakPolarHBondContact OG-CB 3.34Å; S78-M80 PolarHBondContact OG-N 3.37Å; S78-R81 PolarHBondContact O-NH1 3.47Å |
| 79 | I | 85.8 | Confident | 90.2 | Very high | 34 Ų | 34 | 39 Ų | 39 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -65.2 | -10.2 | 169.3 | 64.8 | 171.4 | 0 | 0 | 0 | 114.4 | K34 V38 E41 | K34-I79 HydrophobicContact CG-CD1 3.99Å; V38-I79 HydrophobicContact CG2-CD1 4.1Å; V38-I79 HydrophobicContact CG2-CG1 3.62Å; E41-I79 PolarHBondContact OE2-N 3.33Å; E41-I79 VanDerWaalsContact OE2-N 3.1Å |
| 80 | M | 89.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141.2 | -179.4 | -172.3 | -177.3 | 66.6 | 0 | 0 | 111.4 | L21 V38 I42 A75 S78 L82 L305 | L21-M80 HydrophobicContact CD1-CE 3.75Å; L21-M80 HydrophobicContact CD2-CE 3.73Å; L21-M80 HydrophobicContact CD2-SD 3.93Å; L21-M80 HydrophobicContact CG-CE 4.37Å; V38-M80 HydrophobicContact CG1-CB 3.87Å; V38-M80 HydrophobicContact CG1-CG 4.47Å; V38-M80 HydrophobicContact CG1-SD 4.09Å; V38-M80 HydrophobicContact CG2-CB 4.29Å; I42-M80 HydrophobicContact CD1-CE 4.06Å; A75-M80 HydrophobicContact CB-CE 4.37Å; S78-M80 PolarHBondContact O-N 2.89Å; S78-M80 VanDerWaalsContact OG-CB 3.3Å; S78-M80 WeakPolarHBondContact OG-CB 3.34Å; S78-M80 PolarHBondContact OG-N 3.37Å; M80-L82 HydrophobicContact CE-CD1 3.84Å; M80-L82 HydrophobicContact CE-CD2 4.19Å; M80-L82 HydrophobicContact CE-CG 3.95Å; M80-L82 HydrophobicContact CG-CD2 4.48Å; M80-L82 HydrophobicContact SD-CD2 4.22Å; M80-L305 HydrophobicContact CG-CB 4.11Å; M80-L305 HydrophobicContact SD-CB 4.27Å; M80-L305 HydrophobicContact SD-CD2 3.93Å |
| 81 | R | 87.2 | Confident | 90.3 | Very high | 104 Ų | 104 | 34.9 Ų | 34.9 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126 | 173.7 | -61 | -66 | 173.3 | -110.9 | 8.1 | 110 | H76 S78 V303 L305 | H76-R81 PolarHBondContact O-NH1 2.98Å; S78-R81 PolarHBondContact O-NH1 3.47Å; R81-V303 PolarHBondContact N-O 2.87Å; R81-L305 PolarHBondContact O-N 3.18Å |
| 82 | L | 83.6 | Confident | 90.2 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | trans | -107.4 | 137.6 | 174.5 | -59.6 | 177.6 | 0 | 0 | 0 | 108.8 | L21 A75 H76 M80 L90 L305 I307 | L21-L82 HydrophobicContact CD2-CD1 4.46Å; A75-L82 HydrophobicContact CB-CD1 4.09Å; H76-L82 PolarHBondContact CE1-N 2.8Å; M80-L82 HydrophobicContact CE-CD1 3.84Å; M80-L82 HydrophobicContact CE-CD2 4.19Å; M80-L82 HydrophobicContact CE-CG 3.95Å; M80-L82 HydrophobicContact CG-CD2 4.48Å; M80-L82 HydrophobicContact SD-CD2 4.22Å; L82-L90 HydrophobicContact CD1-CD2 3.73Å; L82-L305 HydrophobicContact CD2-CB 3.87Å; L82-L305 HydrophobicContact CD2-CD2 3.72Å; L82-L305 HydrophobicContact CD2-CG 4.4Å; L82-L305 WeakPolarHBondContact CD2-O 3.45Å; L82-I307 HydrophobicContact CD1-CD1 4.06Å; L82-I307 HydrophobicContact CD2-CD1 3.84Å; L82-I307 HydrophobicContact CD2-CG1 3.84Å | ||
| 83 | S | 87.4 | Confident | 90.3 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 21% | 0.21 | 18% | 0.176 | C | C | . | . | trans | -63.5 | 154.4 | 165.5 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | S85 S86 Q87 | S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 3.04Å; S83-S86 WeakPolarHBondContact O-CA 3.46Å; S83-S86 WeakPolarHBondContact O-CB 3.41Å; S83-S86 PolarHBondContact O-N 3.24Å; S83-S86 WeakPolarHBondContact OG-CB 3.21Å; S83-S86 PolarHBondContact OG-N 3.43Å; S83-S86 VanDerWaalsContact OG-N 3.11Å; S83-S86 PolarHBondContact OG-OG 2.92Å; S83-Q87 PolarHBondContact O-N 3.33Å | ||
| 84 | S | 87.6 | Confident | 90.4 | Very high | 97 Ų | 97 | 29 Ų | 29 | 68% | 0.678 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -51.4 | -46.2 | 174.7 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | S86 Q87 D88 | S84-S86 VanDerWaalsContact C-N 3.32Å; S84-S86 PolarHBondContact O-N 3.25Å; S84-Q87 WeakPolarHBondContact O-CB 3.32Å; S84-Q87 PolarHBondContact O-N 3.27Å; S84-Q87 VanDerWaalsContact O-N 3.1Å; S84-D88 PolarHBondContact O-N 3.42Å |
| 85 | S | 87.2 | Confident | 90.5 | Very high | 59 Ų | 59 | 29 Ų | 29 | 41% | 0.413 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | S83 K89 | S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 3.04Å; S85-K89 WeakPolarHBondContact O-CD 3.29Å; S85-K89 VanDerWaalsContact O-CG 3.3Å; S85-K89 WeakPolarHBondContact O-CG 3.42Å; S85-K89 PolarHBondContact O-N 2.94Å |
| 86 | S | 89.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | S83 S84 K89 L90 I307 | S83-S86 WeakPolarHBondContact O-CA 3.46Å; S83-S86 WeakPolarHBondContact O-CB 3.41Å; S83-S86 PolarHBondContact O-N 3.24Å; S83-S86 WeakPolarHBondContact OG-CB 3.21Å; S83-S86 PolarHBondContact OG-N 3.43Å; S83-S86 VanDerWaalsContact OG-N 3.11Å; S83-S86 PolarHBondContact OG-OG 2.92Å; S84-S86 VanDerWaalsContact C-N 3.32Å; S84-S86 PolarHBondContact O-N 3.25Å; S86-K89 PolarHBondContact O-N 3.17Å; S86-L90 WeakPolarHBondContact O-CB 3.36Å; S86-L90 PolarHBondContact O-N 2.86Å; S86-I307 WeakPolarHBondContact O-CD1 3.38Å; S86-I307 PolarHBondContact OG-N 3.01Å; S86-I307 VanDerWaalsContact OG-N 3.1Å |
| 87 | Q | 89.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.7 | -175.1 | 58.2 | 24.2 | 0 | 0 | 112.4 | E72 S83 S84 K89 L90 Y91 | E72-Q87 HydrophobicContact CB-CG 4.18Å; E72-Q87 HydrophobicContact CG-CG 4.06Å; S83-Q87 PolarHBondContact O-N 3.33Å; S84-Q87 WeakPolarHBondContact O-CB 3.32Å; S84-Q87 PolarHBondContact O-N 3.27Å; S84-Q87 VanDerWaalsContact O-N 3.1Å; Q87-K89 PolarHBondContact O-N 3.22Å; Q87-L90 WeakPolarHBondContact O-CB 3.37Å; Q87-L90 PolarHBondContact O-N 2.99Å; Q87-Y91 PolarHBondContact O-N 3.27Å |
| 88 | D | 91.4 | Very high | 91.2 | Very high | 72 Ų | 72 | 25.1 Ų | 25.1 | 39% | 0.385 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.2 | -46 | 175.9 | -73.8 | -33.1 | 0 | 0 | 0 | 111.7 | R68 S84 L90 Y91 D92 | R68-D88 IonicContact NH1-OD1 3.15Å; S84-D88 PolarHBondContact O-N 3.42Å; D88-L90 PolarHBondContact O-N 3.44Å; D88-Y91 WeakPolarHBondContact O-CB 3.46Å; D88-Y91 PolarHBondContact O-N 3.42Å; D88-D92 PolarHBondContact O-N 3.14Å |
| 89 | K | 91.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 26 Ų | 26 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 178.8 | -70.8 | 171.2 | -177 | 172.6 | 0 | 112.2 | S85 S86 Q87 Y91 D92 L93 F270 F308 | S85-K89 WeakPolarHBondContact O-CD 3.29Å; S85-K89 VanDerWaalsContact O-CG 3.3Å; S85-K89 WeakPolarHBondContact O-CG 3.42Å; S85-K89 PolarHBondContact O-N 2.94Å; S86-K89 PolarHBondContact O-N 3.17Å; Q87-K89 PolarHBondContact O-N 3.22Å; K89-Y91 VanDerWaalsContact C-N 3.31Å; K89-D92 PolarHBondContact O-N 3.37Å; K89-L93 WeakPolarHBondContact O-CB 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.33Å; K89-L93 PolarHBondContact O-N 3.33Å; K89-F270 HydrophobicContact CB-CE2 4.04Å; K89-F270 HydrophobicContact CD-CD2 4.13Å; K89-F270 HydrophobicContact CD-CE2 4.25Å; K89-F270 HydrophobicContact CG-CD2 4.36Å; K89-F270 HydrophobicContact CG-CE2 4.07Å; K89-F308 HydrophobicContact CB-CD2 4.18Å; K89-F308 HydrophobicContact CB-CE1 4.5Å; K89-F308 HydrophobicContact CB-CE2 3.22Å; K89-F308 HydrophobicContact CB-CZ 3.43Å; K89-F308 VanDerWaalsContact CB-CZ 3.43Å; K89-F308 HydrophobicContact CD-CD1 4.13Å; K89-F308 HydrophobicContact CD-CD2 3.22Å; K89-F308 HydrophobicContact CD-CE1 3.99Å; K89-F308 HydrophobicContact CD-CE2 3.11Å; K89-F308 HydrophobicContact CD-CG 3.78Å; K89-F308 HydrophobicContact CD-CZ 3.54Å; K89-F308 HydrophobicContact CG-CD2 4.34Å; K89-F308 HydrophobicContact CG-CE2 3.79Å; K89-F308 HydrophobicContact CG-CZ 4.05Å |
| 90 | L | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 172.3 | 177.6 | 60.8 | 0 | 0 | 0 | 110.4 | M17 I20 L21 L82 S86 Q87 D88 L93 M94 I307 | M17-L90 HydrophobicContact CG-CD1 4.42Å; M17-L90 HydrophobicContact CG-CD2 4.23Å; I20-L90 HydrophobicContact CB-CD1 4Å; I20-L90 HydrophobicContact CD1-CD1 4.15Å; I20-L90 HydrophobicContact CG2-CD1 3.54Å; L21-L90 HydrophobicContact CD2-CD1 4.46Å; L21-L90 HydrophobicContact CD2-CD2 4.11Å; L82-L90 HydrophobicContact CD1-CD2 3.73Å; S86-L90 WeakPolarHBondContact O-CB 3.36Å; S86-L90 PolarHBondContact O-N 2.86Å; Q87-L90 WeakPolarHBondContact O-CB 3.37Å; Q87-L90 PolarHBondContact O-N 2.99Å; D88-L90 PolarHBondContact O-N 3.44Å; L90-L93 PolarHBondContact O-N 2.62Å; L90-M94 WeakPolarHBondContact O-CG 3.29Å; L90-M94 PolarHBondContact O-N 3.48Å; L90-I307 HydrophobicContact CB-CD1 3.73Å; L90-I307 HydrophobicContact CD1-CD1 4.36Å; L90-I307 HydrophobicContact CD2-CD1 4.19Å; L90-I307 HydrophobicContact CG-CD1 4.32Å |
| 91 | Y | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.9 | 179.3 | -84.6 | 0 | 0 | 0 | 112 | M13 R64 V67 R68 Q87 D88 K89 L93 M94 A95 | M13-Y91 HydrophobicContact CE-CD2 4.42Å; M13-Y91 HydrophobicContact CE-CE2 3.98Å; R64-Y91 PolarHBondContact O-OH 3.08Å; V67-Y91 HydrophobicContact CG1-CE2 4.41Å; R68-Y91 HydrophobicContact CB-CD2 3.65Å; R68-Y91 HydrophobicContact CB-CE2 3.51Å; R68-Y91 HydrophobicContact CB-CG 4.29Å; R68-Y91 HydrophobicContact CG-CD2 3.77Å; R68-Y91 HydrophobicContact CG-CE2 4.16Å; R68-Y91 HydrophobicContact CG-CG 4.04Å; Q87-Y91 PolarHBondContact O-N 3.27Å; D88-Y91 WeakPolarHBondContact O-CB 3.46Å; D88-Y91 PolarHBondContact O-N 3.42Å; K89-Y91 VanDerWaalsContact C-N 3.31Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.17Å; Y91-M94 HydrophobicContact CD2-CE 3.1Å; Y91-M94 HydrophobicContact CE2-CE 3.79Å; Y91-M94 HydrophobicContact CG-CE 3.73Å; Y91-M94 WeakPolarHBondContact O-CG 3.31Å; Y91-M94 PolarHBondContact O-N 3.41Å; Y91-A95 HydrophobicContact CE1-CB 4.32Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.21Å |
| 92 | D | 94.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 21.2 Ų | 21.2 | 17% | 0.171 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | -179.5 | -73.2 | -13.9 | 0 | 0 | 0 | 112.1 | R68 D88 K89 M96 V171 | R68-D92 IonicContact NH2-OD1 3.88Å; D88-D92 PolarHBondContact O-N 3.14Å; K89-D92 PolarHBondContact O-N 3.37Å; D92-M96 VanDerWaalsContact O-CB 3.31Å; D92-M96 WeakPolarHBondContact O-CB 3.41Å; D92-M96 VanDerWaalsContact O-CG 3.28Å; D92-M96 WeakPolarHBondContact O-CG 3.39Å; D92-M96 PolarHBondContact O-N 2.89Å; D92-V171 HydrophobicContact CB-CB 4.24Å; D92-V171 HydrophobicContact CB-CG1 3.99Å; D92-V171 HydrophobicContact CB-CG2 4.05Å |
| 93 | L | 94 | Very high | 93 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -53.5 | 176.1 | -73 | 168.4 | 0 | 0 | 0 | 111.6 | I20 K89 L90 Y91 A95 M96 M97 V173 F268 F270 F308 | I20-L93 HydrophobicContact CD1-CB 3.72Å; K89-L93 WeakPolarHBondContact O-CB 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.33Å; K89-L93 PolarHBondContact O-N 3.33Å; L90-L93 PolarHBondContact O-N 2.62Å; Y91-L93 VanDerWaalsContact C-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.17Å; L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 3.14Å; L93-M96 PolarHBondContact O-N 3.28Å; L93-M97 WeakPolarHBondContact O-CB 3.28Å; L93-M97 VanDerWaalsContact O-CG 3.31Å; L93-M97 WeakPolarHBondContact O-CG 3.31Å; L93-M97 PolarHBondContact O-N 2.93Å; L93-V173 HydrophobicContact CD2-CB 4.47Å; L93-V173 HydrophobicContact CD2-CG1 3.73Å; L93-V173 HydrophobicContact CD2-CG2 4.12Å; L93-F268 HydrophobicContact CD1-CD1 3.57Å; L93-F268 HydrophobicContact CD1-CE1 3.78Å; L93-F270 HydrophobicContact CD1-CE2 4.22Å; L93-F270 HydrophobicContact CD1-CZ 4.49Å; L93-F270 HydrophobicContact CD2-CE2 4.23Å; L93-F270 HydrophobicContact CD2-CZ 3.88Å; L93-F270 HydrophobicContact CG-CE2 4.21Å; L93-F270 HydrophobicContact CG-CZ 3.98Å; L93-F308 HydrophobicContact CD1-CZ 4.1Å |
| 94 | M | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | -179.4 | 66.5 | -178.1 | -172.3 | 0 | 0 | 111.8 | M13 E16 M17 I20 F71 L90 Y91 F98 | M13-M94 HydrophobicContact CE-CE 3.37Å; M13-M94 HydrophobicContact CE-CG 3.81Å; M13-M94 HydrophobicContact CE-SD 3.99Å; E16-M94 HydrophobicContact CB-CB 3.76Å; M17-M94 HydrophobicContact CB-SD 4.18Å; I20-M94 HydrophobicContact CD1-CB 4.41Å; F71-M94 HydrophobicContact CB-CE 3.53Å; F71-M94 HydrophobicContact CB-SD 4.41Å; F71-M94 HydrophobicContact CD1-CE 4.03Å; F71-M94 HydrophobicContact CD1-SD 4Å; F71-M94 HydrophobicContact CD2-CE 3.67Å; F71-M94 HydrophobicContact CE1-SD 4.43Å; F71-M94 HydrophobicContact CE2-CE 4.4Å; F71-M94 HydrophobicContact CG-CE 3.46Å; F71-M94 VanDerWaalsContact CG-CE 3.46Å; F71-M94 HydrophobicContact CG-SD 4.06Å; L90-M94 WeakPolarHBondContact O-CG 3.29Å; L90-M94 PolarHBondContact O-N 3.48Å; Y91-M94 HydrophobicContact CD2-CE 3.1Å; Y91-M94 HydrophobicContact CE2-CE 3.79Å; Y91-M94 HydrophobicContact CG-CE 3.73Å; Y91-M94 WeakPolarHBondContact O-CG 3.31Å; Y91-M94 PolarHBondContact O-N 3.41Å; M94-F98 WeakPolarHBondContact O-CB 3.48Å; M94-F98 PolarHBondContact O-N 3.05Å |
| 95 | A | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.3 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M13 Y91 L93 K99 F166 | M13-A95 HydrophobicContact CE-CB 4.29Å; Y91-A95 HydrophobicContact CE1-CB 4.32Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.21Å; L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 3.14Å; A95-K99 WeakPolarHBondContact O-CB 3.12Å; A95-K99 PolarHBondContact O-N 3.41Å; A95-F166 HydrophobicContact CB-CD1 4.41Å; A95-F166 HydrophobicContact CB-CE1 3.85Å |
| 96 | M | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.4 | -37 | -179.7 | -74 | -54.3 | -68.8 | 0 | 0 | 112.7 | D92 L93 K99 Y100 T169 V171 V173 F188 | D92-M96 VanDerWaalsContact O-CB 3.31Å; D92-M96 WeakPolarHBondContact O-CB 3.41Å; D92-M96 VanDerWaalsContact O-CG 3.28Å; D92-M96 WeakPolarHBondContact O-CG 3.39Å; D92-M96 PolarHBondContact O-N 2.89Å; L93-M96 PolarHBondContact O-N 3.28Å; M96-K99 HydrophobicContact CE-CD 4.42Å; M96-K99 HydrophobicContact SD-CD 4.1Å; M96-Y100 WeakPolarHBondContact O-CB 3.25Å; M96-Y100 PolarHBondContact O-N 3.35Å; M96-T169 HydrophobicContact SD-CG2 4.03Å; M96-V171 VanDerWaalsContact CE-O 3.26Å; M96-V171 WeakPolarHBondContact CE-O 3.42Å; M96-V171 HydrophobicContact CG-CB 3.83Å; M96-V171 HydrophobicContact SD-CB 4.44Å; M96-V173 HydrophobicContact CB-CG2 3.62Å; M96-V173 HydrophobicContact CG-CG2 4.08Å; M96-F188 HydrophobicContact CE-CE1 3.69Å; M96-F188 HydrophobicContact CE-CE2 4.07Å; M96-F188 HydrophobicContact CE-CZ 3.26Å; M96-F188 WeakPolarHBondContact O-CZ 3.18Å; M96-F188 HydrophobicContact SD-CZ 4.47Å |
| 97 | M | 94.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.02 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 175.8 | -73.5 | -51.7 | -52.7 | 0 | 0 | 111.6 | E16 L93 K99 Y100 Q101 L176 I253 | E16-M97 HydrophobicContact CG-CB 3.93Å; E16-M97 WeakPolarHBondContact OE2-CB 3.27Å; L93-M97 WeakPolarHBondContact O-CB 3.28Å; L93-M97 VanDerWaalsContact O-CG 3.31Å; L93-M97 WeakPolarHBondContact O-CG 3.31Å; L93-M97 PolarHBondContact O-N 2.93Å; M97-K99 PolarHBondContact O-N 2.9Å; M97-Y100 WeakPolarHBondContact O-CB 3.18Å; M97-Y100 PolarHBondContact O-N 3.34Å; M97-Q101 WeakPolarHBondContact O-CG 3.22Å; M97-Q101 PolarHBondContact O-N 3.11Å; M97-Q101 VanDerWaalsContact O-N 3.14Å; M97-L176 HydrophobicContact CE-CD2 4.22Å; M97-L176 HydrophobicContact SD-CD1 4Å; M97-L176 HydrophobicContact SD-CD2 3.85Å; M97-L176 HydrophobicContact SD-CG 4Å; M97-I253 HydrophobicContact CE-CD1 3.28Å; M97-I253 HydrophobicContact SD-CD1 4.22Å |
| 98 | F | 97 | Very high | 93 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.6 | 179.9 | -136 | 0 | 0 | 0 | 112 | L9 N12 M13 E16 M94 Y100 Q101 L102 L111 F166 | L9-F98 HydrophobicContact CD1-CD1 4.19Å; L9-F98 HydrophobicContact CD1-CE1 3.94Å; N12-F98 HydrophobicContact CB-CD1 4.01Å; N12-F98 HydrophobicContact CB-CD2 3.33Å; N12-F98 HydrophobicContact CB-CE1 3.92Å; N12-F98 HydrophobicContact CB-CE2 3.22Å; N12-F98 HydrophobicContact CB-CG 3.75Å; N12-F98 HydrophobicContact CB-CZ 3.53Å; M13-F98 HydrophobicContact CG-CB 4.4Å; M13-F98 HydrophobicContact CG-CD1 3.97Å; E16-F98 HydrophobicContact CG-CB 4.49Å; M94-F98 WeakPolarHBondContact O-CB 3.48Å; M94-F98 PolarHBondContact O-N 3.05Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.28Å; F98-Q101 PolarHBondContact O-N 2.83Å; F98-L102 WeakPolarHBondContact O-CB 3.5Å; F98-L102 PolarHBondContact O-N 2.78Å; F98-L111 HydrophobicContact CE2-CD1 3.9Å; F98-L111 HydrophobicContact CZ-CD1 4.03Å; F98-F166 AromaticContact CD1-CE2 3.5Å; F98-F166 HydrophobicContact CD1-CE2 3.5Å; F98-F166 AromaticContact CD1-CZ 3.62Å; F98-F166 HydrophobicContact CD1-CZ 3.62Å; F98-F166 AromaticContact CE1-CE2 3.78Å; F98-F166 HydrophobicContact CE1-CE2 3.78Å; F98-F166 HydrophobicContact CE1-CZ 4.25Å; F98-F166 HydrophobicContact CG-CE2 4.48Å |
| 99 | K | 96.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 10% | 0.1 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 173.8 | -176.5 | -169.9 | 175.8 | 153.2 | 0 | 111.6 | A95 M96 M97 Q101 L102 Q103 F166 T169 F188 | A95-K99 WeakPolarHBondContact O-CB 3.12Å; A95-K99 PolarHBondContact O-N 3.41Å; M96-K99 HydrophobicContact CE-CD 4.42Å; M96-K99 HydrophobicContact SD-CD 4.1Å; M97-K99 PolarHBondContact O-N 2.9Å; K99-Q101 VanDerWaalsContact C-N 3.35Å; K99-Q101 PolarHBondContact O-N 3.35Å; K99-L102 PolarHBondContact O-N 3.18Å; K99-Q103 WeakPolarHBondContact O-CG 3.46Å; K99-Q103 PolarHBondContact O-N 2.93Å; K99-F166 HydrophobicContact CB-CB 4.12Å; K99-F166 HydrophobicContact CB-CD1 4.21Å; K99-F166 HydrophobicContact CB-CD2 4.31Å; K99-F166 HydrophobicContact CB-CG 3.97Å; K99-F166 HydrophobicContact CD-CB 3.87Å; K99-F166 WeakPolarHBondContact CE-O 3.41Å; K99-F166 HydrophobicContact CG-CB 3.69Å; K99-F166 HydrophobicContact CG-CG 4.1Å; K99-F166 PolarHBondContact NZ-O 3.1Å; K99-T169 PolarHBondContact NZ-O 3.38Å; K99-F188 HydrophobicContact CB-CE2 4.29Å; K99-F188 HydrophobicContact CD-CE2 3.83Å; K99-F188 HydrophobicContact CD-CZ 4.4Å; K99-F188 HydrophobicContact CG-CE2 3.87Å |
| 100 | Y | 94.5 | Very high | 92.7 | Very high | 33 Ų | 33 | 18.2 Ų | 18.2 | 13% | 0.129 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 176.7 | 168.5 | -97.5 | 0 | 0 | 0 | 111.2 | M96 M97 F98 L102 Q103 N104 L181 F188 L249 | M96-Y100 WeakPolarHBondContact O-CB 3.25Å; M96-Y100 PolarHBondContact O-N 3.35Å; M97-Y100 WeakPolarHBondContact O-CB 3.18Å; M97-Y100 PolarHBondContact O-N 3.34Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 3.28Å; Y100-L102 PolarHBondContact O-N 3.16Å; Y100-Q103 PolarHBondContact O-N 3.22Å; Y100-N104 VanDerWaalsContact CD2-ND2 3.29Å; Y100-N104 WeakPolarHBondContact CD2-ND2 3.09Å; Y100-N104 WeakPolarHBondContact CE2-ND2 3.44Å; Y100-N104 PolarHBondContact O-N 3.09Å; Y100-N104 PolarHBondContact O-ND2 2.91Å; Y100-L181 HydrophobicContact CE1-CD1 4.28Å; Y100-L181 HydrophobicContact CE2-CB 3.87Å; Y100-L181 HydrophobicContact CE2-CD1 4.28Å; Y100-L181 HydrophobicContact CE2-CD2 4.4Å; Y100-L181 HydrophobicContact CE2-CG 4.4Å; Y100-L181 WeakPolarHBondContact OH-CD2 3.31Å; Y100-F188 AromaticContact CD2-CD1 3.95Å; Y100-F188 HydrophobicContact CD2-CD1 3.95Å; Y100-F188 HydrophobicContact CD2-CD2 4.46Å; Y100-F188 HydrophobicContact CD2-CE1 4.25Å; Y100-F188 HydrophobicContact CD2-CG 4.08Å; Y100-L249 HydrophobicContact CE1-CD2 4.2Å |
| 101 | Q | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 179.4 | -64.2 | 175 | 22.9 | 0 | 0 | 112.2 | E16 M97 F98 K99 Q103 N104 A105 I114 H118 L249 | E16-Q101 PolarHBondContact OE1-NE2 3.01Å; M97-Q101 WeakPolarHBondContact O-CG 3.22Å; M97-Q101 PolarHBondContact O-N 3.11Å; M97-Q101 VanDerWaalsContact O-N 3.14Å; F98-Q101 PolarHBondContact O-N 2.83Å; K99-Q101 VanDerWaalsContact C-N 3.35Å; K99-Q101 PolarHBondContact O-N 3.35Å; Q101-Q103 VanDerWaalsContact C-N 3.33Å; Q101-Q103 PolarHBondContact O-N 2.8Å; Q101-N104 CarbonylContact O-C 3.54Å; Q101-N104 PolarHBondContact O-N 3Å; Q101-A105 PolarHBondContact O-N 3.19Å; Q101-I114 HydrophobicContact CB-CD1 4.4Å; Q101-I114 HydrophobicContact CB-CG2 4.4Å; Q101-H118 PolarHBondContact OE1-CE1 3.23Å; Q101-L249 HydrophobicContact CG-CB 4.48Å; Q101-L249 HydrophobicContact CG-CD2 4.17Å |
| 102 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 178.2 | -177.5 | 66.3 | 0 | 0 | 0 | 112.6 | F98 K99 Y100 L111 R159 L162 L163 F166 | F98-L102 WeakPolarHBondContact O-CB 3.5Å; F98-L102 PolarHBondContact O-N 2.78Å; K99-L102 PolarHBondContact O-N 3.18Å; Y100-L102 PolarHBondContact O-N 3.16Å; L102-L111 HydrophobicContact CD1-CD1 3.77Å; L102-L111 HydrophobicContact CD1-CD2 3.97Å; L102-L111 HydrophobicContact CD1-CG 4.42Å; L102-R159 HydrophobicContact CD1-CG 4.02Å; L102-R159 PolarHBondContact O-NH2 2.71Å; L102-L162 HydrophobicContact CD1-CB 4.3Å; L102-L162 HydrophobicContact CD1-CD1 4.36Å; L102-L162 HydrophobicContact CD2-CB 3.54Å; L102-L163 HydrophobicContact CD2-CD2 3.83Å; L102-L163 HydrophobicContact CD2-CG 3.93Å; L102-L163 HydrophobicContact CG-CD2 3.78Å; L102-L163 HydrophobicContact CG-CG 4.05Å; L102-F166 HydrophobicContact CD2-CD2 4.1Å; L102-F166 HydrophobicContact CD2-CE2 4.5Å |
| 103 | Q | 92.7 | Very high | 92.4 | Very high | 92 Ų | 92 | 17 Ų | 17 | 43% | 0.43 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -72.2 | -36.2 | 175.6 | -72.1 | -167 | -3.7 | 0 | 0 | 112.3 | K99 Y100 Q101 A105 L163 F188 | K99-Q103 WeakPolarHBondContact O-CG 3.46Å; K99-Q103 PolarHBondContact O-N 2.93Å; Y100-Q103 PolarHBondContact O-N 3.22Å; Q101-Q103 VanDerWaalsContact C-N 3.33Å; Q101-Q103 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; Q103-L163 HydrophobicContact CG-CD2 3.82Å; Q103-F188 VanDerWaalsContact OE1-CD2 3.29Å |
| 104 | N | 90 | Very high | 92.3 | Very high | 34 Ų | 34 | 16.8 Ų | 16.8 | 18% | 0.182 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -84.4 | -3.8 | 178.1 | -72.2 | -79 | 0 | 0 | 0 | 114 | Y100 Q101 I106 L249 | Y100-N104 VanDerWaalsContact CD2-ND2 3.29Å; Y100-N104 WeakPolarHBondContact CD2-ND2 3.09Å; Y100-N104 WeakPolarHBondContact CE2-ND2 3.44Å; Y100-N104 PolarHBondContact O-N 3.09Å; Y100-N104 PolarHBondContact O-ND2 2.91Å; Q101-N104 CarbonylContact O-C 3.54Å; Q101-N104 PolarHBondContact O-N 3Å; N104-I106 PolarHBondContact O-N 3.25Å; N104-I106 VanDerWaalsContact O-N 3.14Å; N104-L249 HydrophobicContact CB-CD1 4.2Å |
| 105 | A | 89.1 | Confident | 92.3 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.033 | 8% | 0.079 | C | C | . | . | trans | -61.4 | 117.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q101 Q103 S107 H110 I114 R159 | Q101-A105 PolarHBondContact O-N 3.19Å; Q103-A105 VanDerWaalsContact C-N 3.33Å; A105-S107 VanDerWaalsContact C-N 3.31Å; A105-S107 PolarHBondContact O-N 2.97Å; A105-H110 HydrophobicContact CB-CB 4.49Å; A105-I114 HydrophobicContact CB-CD1 4.03Å; A105-R159 PolarHBondContact O-NH1 3.4Å; A105-R159 PolarHBondContact O-NH2 2.97Å | ||
| 106 | I | 84.9 | Confident | 92.1 | Very high | 57 Ų | 57 | 17.5 Ų | 17.5 | 29% | 0.292 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -61.3 | -38.2 | -179.5 | -64.5 | 158.8 | 0 | 0 | 0 | 112.2 | N104 H110 E195 P197 | N104-I106 PolarHBondContact O-N 3.25Å; N104-I106 VanDerWaalsContact O-N 3.14Å; I106-H110 PolarHBondContact N-ND1 2.92Å; I106-E195 HydrophobicContact CD1-CB 3.91Å; I106-E195 WeakPolarHBondContact CG2-O 3.42Å; I106-P197 HydrophobicContact CG2-CG 3.78Å |
| 107 | S | 86.4 | Confident | 92 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 8% | 0.084 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -140.4 | 164.4 | 179.2 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | A105 R109 H110 | A105-S107 VanDerWaalsContact C-N 3.31Å; A105-S107 PolarHBondContact O-N 2.97Å; S107-R109 PolarHBondContact O-N 3.43Å; S107-R109 PolarHBondContact OG-N 3.19Å; S107-H110 VanDerWaalsContact O-CB 3.28Å; S107-H110 WeakPolarHBondContact O-CB 3.14Å; S107-H110 PolarHBondContact O-N 3.42Å; S107-H110 VanDerWaalsContact O-N 3.15Å; S107-H110 PolarHBondContact OG-N 3.01Å |
| 108 | P | 90.2 | Very high | 92 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | 172.1 | -23.2 | 34.2 | 0 | 0 | 0 | 113.8 | H110 L111 L155 Y156 | P108-H110 VanDerWaalsContact C-N 3.33Å; P108-L111 VanDerWaalsContact O-CB 3.29Å; P108-L111 WeakPolarHBondContact O-CB 3.47Å; P108-L111 PolarHBondContact O-N 2.92Å; P108-L155 HydrophobicContact CB-CB 3.48Å; P108-L155 VanDerWaalsContact CB-CB 3.48Å; P108-Y156 HydrophobicContact CG-CD1 3.28Å; P108-Y156 HydrophobicContact CG-CD2 3.98Å; P108-Y156 HydrophobicContact CG-CE1 3.28Å; P108-Y156 HydrophobicContact CG-CE2 3.98Å; P108-Y156 HydrophobicContact CG-CG 3.62Å |
| 109 | R | 89.1 | Confident | 91.8 | Very high | 70 Ų | 70 | 17.6 Ų | 17.6 | 26% | 0.264 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 172.8 | -78.7 | 173.8 | 158.5 | 136.5 | 8.9 | 112.3 | S107 L111 L112 V113 M152 L155 E233 L236 | S107-R109 PolarHBondContact O-N 3.43Å; S107-R109 PolarHBondContact OG-N 3.19Å; R109-L111 PolarHBondContact O-N 3.47Å; R109-L112 WeakPolarHBondContact O-CB 3.39Å; R109-L112 PolarHBondContact O-N 2.84Å; R109-V113 PolarHBondContact O-N 3.2Å; R109-M152 HydrophobicContact CG-CE 3.7Å; R109-M152 HydrophobicContact CG-SD 3.82Å; R109-M152 VanDerWaalsContact NH2-CE 3.3Å; R109-L155 HydrophobicContact CG-CD1 3.79Å; R109-E233 WeakPolarHBondContact CD-OE2 3.05Å; R109-E233 IonicContact CZ-OE2 3.9Å; R109-E233 IonicContact NE-OE2 2.99Å; R109-E233 IonicContact NH1-OE1 3.6Å; R109-E233 IonicContact NH1-OE2 3.73Å; R109-E233 PolarHBondContact NH1-OE2 2.81Å; R109-L236 HydrophobicContact CB-CD1 4.21Å; R109-L236 HydrophobicContact CB-CD2 4.42Å; R109-L236 HydrophobicContact CG-CD1 3.88Å |
| 110 | H | 88.7 | Confident | 91.6 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 3% | 0.032 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.6 | -30.2 | 175 | -169.2 | -176.2 | 0 | 0 | 0 | 111.8 | A105 I106 S107 P108 L112 V113 I114 T247 | A105-H110 HydrophobicContact CB-CB 4.49Å; I106-H110 PolarHBondContact N-ND1 2.92Å; S107-H110 VanDerWaalsContact O-CB 3.28Å; S107-H110 WeakPolarHBondContact O-CB 3.14Å; S107-H110 PolarHBondContact O-N 3.42Å; S107-H110 VanDerWaalsContact O-N 3.15Å; S107-H110 PolarHBondContact OG-N 3.01Å; P108-H110 VanDerWaalsContact C-N 3.33Å; H110-L112 VanDerWaalsContact C-N 3.3Å; H110-L112 PolarHBondContact O-N 3.46Å; H110-V113 WeakPolarHBondContact O-CB 3.48Å; H110-V113 PolarHBondContact O-N 3.31Å; H110-I114 VanDerWaalsContact O-CG1 3.29Å; H110-I114 WeakPolarHBondContact O-CG1 3.5Å; H110-I114 PolarHBondContact O-N 3.46Å; H110-T247 PolarHBondContact CE1-OG1 3.18Å; H110-T247 WeakPolarHBondContact NE2-CB 3.46Å; H110-T247 WeakPolarHBondContact NE2-CG2 3.47Å; H110-T247 PolarHBondContact NE2-OG1 3.01Å |
| 111 | L | 93 | Very high | 91.5 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 172.3 | 177 | 62.1 | 0 | 0 | 0 | 112.9 | L8 F98 L102 P108 R109 V113 I114 T115 L162 | L8-L111 HydrophobicContact CD1-CD2 3.85Å; L8-L111 HydrophobicContact CD1-CG 4.27Å; F98-L111 HydrophobicContact CE2-CD1 3.9Å; F98-L111 HydrophobicContact CZ-CD1 4.03Å; L102-L111 HydrophobicContact CD1-CD1 3.77Å; L102-L111 HydrophobicContact CD1-CD2 3.97Å; L102-L111 HydrophobicContact CD1-CG 4.42Å; P108-L111 VanDerWaalsContact O-CB 3.29Å; P108-L111 WeakPolarHBondContact O-CB 3.47Å; P108-L111 PolarHBondContact O-N 2.92Å; R109-L111 PolarHBondContact O-N 3.47Å; L111-V113 VanDerWaalsContact C-N 3.31Å; L111-I114 PolarHBondContact O-N 3.15Å; L111-T115 PolarHBondContact O-N 2.92Å; L111-T115 PolarHBondContact O-OG1 3.39Å; L111-L162 HydrophobicContact CD2-CD1 3.58Å |
| 112 | L | 93.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.6 | -55.6 | -176.8 | 0 | 0 | 0 | 110.5 | L8 R109 H110 T115 L116 Y147 F148 L155 | L8-L112 HydrophobicContact CD1-CD2 3.99Å; L8-L112 HydrophobicContact CD2-CD2 4.13Å; R109-L112 WeakPolarHBondContact O-CB 3.39Å; R109-L112 PolarHBondContact O-N 2.84Å; H110-L112 VanDerWaalsContact C-N 3.3Å; H110-L112 PolarHBondContact O-N 3.46Å; L112-T115 WeakPolarHBondContact O-CB 3.45Å; L112-T115 PolarHBondContact O-N 3.02Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.07Å; L112-Y147 HydrophobicContact CD2-CD1 4.34Å; L112-Y147 HydrophobicContact CD2-CG 4.02Å; L112-F148 HydrophobicContact CB-CE2 4.16Å; L112-F148 HydrophobicContact CB-CZ 4.38Å; L112-F148 HydrophobicContact CD1-CD2 4.21Å; L112-F148 HydrophobicContact CD1-CE2 4.19Å; L112-L155 HydrophobicContact CD1-CD1 4.1Å; L112-L155 HydrophobicContact CD1-CD2 4.22Å; L112-L155 HydrophobicContact CD2-CD2 4.48Å |
| 113 | V | 89.9 | Confident | 91.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | R109 H110 L111 T115 L116 N117 I235 L236 R245 T247 | R109-V113 PolarHBondContact O-N 3.2Å; H110-V113 WeakPolarHBondContact O-CB 3.48Å; H110-V113 PolarHBondContact O-N 3.31Å; L111-V113 VanDerWaalsContact C-N 3.31Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 3.43Å; V113-L116 WeakPolarHBondContact O-CB 3.3Å; V113-L116 PolarHBondContact O-N 3.45Å; V113-N117 PolarHBondContact O-N 2.91Å; V113-I235 HydrophobicContact CB-CG2 4Å; V113-I235 HydrophobicContact CG1-CG2 3.62Å; V113-I235 HydrophobicContact CG2-CB 4.39Å; V113-I235 HydrophobicContact CG2-CG2 3.42Å; V113-I235 VanDerWaalsContact CG2-CG2 3.42Å; V113-L236 HydrophobicContact CG2-CD2 4.07Å; V113-R245 HydrophobicContact CG1-CB 3.64Å; V113-R245 HydrophobicContact CG1-CG 4.29Å; V113-T247 HydrophobicContact CG1-CG2 3.73Å |
| 114 | I | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 173 | -67.7 | 166.8 | 0 | 0 | 0 | 110.3 | Q101 A105 H110 L111 L116 N117 H118 L249 | Q101-I114 HydrophobicContact CB-CD1 4.4Å; Q101-I114 HydrophobicContact CB-CG2 4.4Å; A105-I114 HydrophobicContact CB-CD1 4.03Å; H110-I114 VanDerWaalsContact O-CG1 3.29Å; H110-I114 WeakPolarHBondContact O-CG1 3.5Å; H110-I114 PolarHBondContact O-N 3.46Å; L111-I114 PolarHBondContact O-N 3.15Å; I114-L116 PolarHBondContact O-N 3.49Å; I114-N117 WeakPolarHBondContact O-CB 3.38Å; I114-N117 PolarHBondContact O-N 2.91Å; I114-H118 PolarHBondContact O-N 2.8Å; I114-H118 PolarHBondContact O-ND1 3.14Å; I114-L249 HydrophobicContact CD1-CB 3.88Å; I114-L249 HydrophobicContact CD1-CD1 3.87Å; I114-L249 HydrophobicContact CG1-CB 3.67Å; I114-L249 HydrophobicContact CG1-CD1 4.49Å |
| 115 | T | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 175.9 | -46.2 | 0 | 0 | 0 | 0 | 112.1 | L8 F11 N12 L111 L112 V113 N117 H118 L119 L143 | L8-T115 HydrophobicContact CD2-CG2 4.21Å; F11-T115 HydrophobicContact CB-CG2 3.77Å; F11-T115 HydrophobicContact CD2-CG2 3.93Å; F11-T115 HydrophobicContact CG-CG2 4.39Å; N12-T115 PolarHBondContact ND2-OG1 3.15Å; N12-T115 VanDerWaalsContact OD1-CA 3.3Å; N12-T115 WeakPolarHBondContact OD1-CA 3.44Å; N12-T115 PolarHBondContact OD1-N 3.05Å; N12-T115 PolarHBondContact OD1-OG1 3.17Å; L111-T115 PolarHBondContact O-N 2.92Å; L111-T115 PolarHBondContact O-OG1 3.39Å; L112-T115 WeakPolarHBondContact O-CB 3.45Å; L112-T115 PolarHBondContact O-N 3.02Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 3.43Å; T115-N117 VanDerWaalsContact C-N 3.34Å; T115-N117 PolarHBondContact O-N 3.19Å; T115-H118 WeakPolarHBondContact O-CB 3.33Å; T115-H118 PolarHBondContact O-N 2.93Å; T115-L119 WeakPolarHBondContact O-CG 3.47Å; T115-L119 PolarHBondContact O-N 3.36Å; T115-L119 VanDerWaalsContact O-N 3.07Å; T115-L143 HydrophobicContact CG2-CD1 4.02Å; T115-L143 HydrophobicContact CG2-CD2 3.84Å |
| 116 | L | 92.7 | Very high | 91 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 9% | 0.089 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 175.1 | -66.5 | 176.6 | 0 | 0 | 0 | 111.9 | L112 V113 I114 H118 L119 D120 Y140 L143 F148 | L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.07Å; V113-L116 WeakPolarHBondContact O-CB 3.3Å; V113-L116 PolarHBondContact O-N 3.45Å; I114-L116 PolarHBondContact O-N 3.49Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 3.47Å; L116-L119 PolarHBondContact O-N 2.93Å; L116-D120 PolarHBondContact O-N 3.05Å; L116-Y140 HydrophobicContact CB-CE1 4.32Å; L116-Y140 HydrophobicContact CD2-CD1 3.52Å; L116-Y140 HydrophobicContact CD2-CE1 3.43Å; L116-Y140 VanDerWaalsContact CD2-CE1 3.43Å; L116-Y140 HydrophobicContact CG-CE1 4.47Å; L116-Y140 PolarHBondContact O-OH 2.84Å; L116-L143 HydrophobicContact CD2-CD2 3.75Å; L116-L143 HydrophobicContact CG-CD2 4.34Å; L116-F148 HydrophobicContact CD1-CE2 4.48Å; L116-F148 HydrophobicContact CD1-CZ 3.73Å; L116-F148 HydrophobicContact CG-CZ 4.45Å |
| 117 | N | 91.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 176 | -70.6 | -12.3 | 0 | 0 | 0 | 111.6 | Y19 V113 I114 T115 D120 G121 R245 L249 G250 | Y19-N117 PolarHBondContact OH-O 3.43Å; V113-N117 PolarHBondContact O-N 2.91Å; I114-N117 WeakPolarHBondContact O-CB 3.38Å; I114-N117 PolarHBondContact O-N 2.91Å; T115-N117 VanDerWaalsContact C-N 3.34Å; T115-N117 PolarHBondContact O-N 3.19Å; N117-D120 PolarHBondContact O-N 2.76Å; N117-G121 PolarHBondContact O-N 2.95Å; N117-R245 PolarHBondContact OD1-NH1 2.74Å; N117-L249 PolarHBondContact ND2-O 3.48Å; N117-G250 CarbonylContact C-O 3.4Å; N117-G250 WeakPolarHBondContact CB-O 3.48Å |
| 118 | H | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.6 | -79.8 | 123.8 | 0 | 0 | 0 | 112.2 | N12 E16 Y19 Q101 I114 T115 L116 D120 G121 I122 G250 | N12-H118 PolarHBondContact OD1-CE1 3.46Å; N12-H118 PolarHBondContact OD1-ND1 3.01Å; E16-H118 IonicContact OE1-CE1 2.79Å; E16-H118 IonicContact OE1-NE2 3.55Å; E16-H118 PolarHBondContact OE1-NE2 3Å; Y19-H118 AromaticContact CE2-CD2 3.55Å; Y19-H118 AromaticContact CZ-CD2 3.91Å; Y19-H118 WeakPolarHBondContact OH-CA 3.22Å; Q101-H118 PolarHBondContact OE1-CE1 3.23Å; I114-H118 PolarHBondContact O-N 2.8Å; I114-H118 PolarHBondContact O-ND1 3.14Å; T115-H118 WeakPolarHBondContact O-CB 3.33Å; T115-H118 PolarHBondContact O-N 2.93Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 3.47Å; H118-D120 VanDerWaalsContact C-N 3.27Å; H118-D120 PolarHBondContact O-N 3.19Å; H118-G121 PolarHBondContact O-N 3.15Å; H118-I122 VanDerWaalsContact O-CG1 3.26Å; H118-I122 WeakPolarHBondContact O-CG1 3.38Å; H118-I122 PolarHBondContact O-N 3.31Å; H118-G250 PolarHBondContact N-O 3.36Å |
| 119 | L | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 177.6 | -67.4 | 176.2 | 0 | 0 | 0 | 111.8 | F11 F47 T115 L116 I122 R123 V136 Y140 L143 | F11-L119 HydrophobicContact CD2-CD1 4.37Å; F11-L119 HydrophobicContact CD2-CD2 4.23Å; F11-L119 HydrophobicContact CE2-CD1 4.49Å; F11-L119 HydrophobicContact CE2-CD2 4.5Å; F47-L119 HydrophobicContact CE1-CD2 3.57Å; F47-L119 HydrophobicContact CZ-CD2 3.67Å; T115-L119 WeakPolarHBondContact O-CG 3.47Å; T115-L119 PolarHBondContact O-N 3.36Å; T115-L119 VanDerWaalsContact O-N 3.07Å; L116-L119 PolarHBondContact O-N 2.93Å; L119-I122 PolarHBondContact O-N 3.08Å; L119-R123 WeakPolarHBondContact O-CB 3.09Å; L119-R123 PolarHBondContact O-N 3.25Å; L119-V136 HydrophobicContact CB-CG1 4.49Å; L119-V136 HydrophobicContact CD2-CG1 4.44Å; L119-Y140 HydrophobicContact CB-CD1 4.39Å; L119-Y140 HydrophobicContact CB-CD2 4.19Å; L119-Y140 HydrophobicContact CB-CE1 3.7Å; L119-Y140 HydrophobicContact CB-CE2 3.49Å; L119-Y140 VanDerWaalsContact CB-CE2 3.49Å; L119-Y140 VanDerWaalsContact CB-OH 3.3Å; L119-Y140 WeakPolarHBondContact CB-OH 3.3Å; L119-Y140 HydrophobicContact CD1-CD1 3.71Å; L119-Y140 HydrophobicContact CD1-CD2 4.21Å; L119-Y140 HydrophobicContact CD1-CE1 3.77Å; L119-Y140 HydrophobicContact CD1-CE2 4.3Å; L119-Y140 HydrophobicContact CD1-CG 3.94Å; L119-Y140 HydrophobicContact CG-CE1 4.4Å; L119-Y140 HydrophobicContact CG-CE2 4.48Å; L119-L143 HydrophobicContact CD1-CD2 4Å |
| 120 | D | 91.2 | Very high | 89.4 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.2 | -86.6 | -29.2 | 0 | 0 | 0 | 111 | L116 N117 H118 R123 H124 Y140 T242 R245 | L116-D120 PolarHBondContact O-N 3.05Å; N117-D120 PolarHBondContact O-N 2.76Å; H118-D120 VanDerWaalsContact C-N 3.27Å; H118-D120 PolarHBondContact O-N 3.19Å; D120-R123 WeakPolarHBondContact O-CB 3.37Å; D120-R123 PolarHBondContact O-N 2.61Å; D120-H124 PolarHBondContact O-N 2.87Å; D120-Y140 VanDerWaalsContact CA-OH 3.26Å; D120-Y140 WeakPolarHBondContact CA-OH 3.39Å; D120-Y140 WeakPolarHBondContact CB-OH 3.41Å; D120-Y140 PolarHBondContact N-OH 3.36Å; D120-Y140 PolarHBondContact OD1-OH 3.43Å; D120-T242 PolarHBondContact OD1-N 3.46Å; D120-T242 PolarHBondContact OD2-N 3.14Å; D120-R245 IonicContact OD2-CZ 2.95Å; D120-R245 IonicContact OD2-NH1 2.81Å; D120-R245 PolarHBondContact OD2-NH1 2.97Å; D120-R245 IonicContact OD2-NH2 3.69Å; D120-R245 PolarHBondContact OD2-NH2 3.46Å |
| 121 | G | 91.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y19 N117 H118 R123 H124 I125 | Y19-G121 WeakPolarHBondContact OH-CA 3.25Å; N117-G121 PolarHBondContact O-N 2.95Å; H118-G121 PolarHBondContact O-N 3.15Å; G121-R123 VanDerWaalsContact C-N 3.3Å; G121-R123 PolarHBondContact O-N 3.34Å; G121-H124 WeakPolarHBondContact O-CB 3.29Å; G121-H124 PolarHBondContact O-N 3.34Å; G121-H124 VanDerWaalsContact O-N 3.15Å; G121-I125 WeakPolarHBondContact O-CG1 3.27Å; G121-I125 PolarHBondContact O-N 2.96Å |
| 122 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 172.6 | -69 | 166.9 | 0 | 0 | 0 | 109.6 | C18 V43 F47 H118 L119 H124 I125 V126 V136 | C18-I122 HydrophobicContact CB-CG1 4.18Å; V43-I122 HydrophobicContact CG1-CG2 3.73Å; V43-I122 HydrophobicContact CG2-CG2 3.85Å; F47-I122 HydrophobicContact CE2-CD1 3.88Å; F47-I122 HydrophobicContact CE2-CG2 4.09Å; F47-I122 HydrophobicContact CZ-CD1 3.74Å; H118-I122 VanDerWaalsContact O-CG1 3.26Å; H118-I122 WeakPolarHBondContact O-CG1 3.38Å; H118-I122 PolarHBondContact O-N 3.31Å; L119-I122 PolarHBondContact O-N 3.08Å; I122-H124 PolarHBondContact O-N 3.48Å; I122-I125 WeakPolarHBondContact O-CB 3.48Å; I122-I125 PolarHBondContact O-N 3.4Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 3.33Å; I122-V136 HydrophobicContact CG2-CG2 4.17Å |
| 123 | R | 90.5 | Very high | 89.3 | Confident | 58 Ų | 58 | 35.3 Ų | 35.3 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 175.9 | -167.3 | -177.2 | -167.7 | -155.8 | 13.5 | 112.2 | L119 D120 G121 I125 V136 D137 Q241 | L119-R123 WeakPolarHBondContact O-CB 3.09Å; L119-R123 PolarHBondContact O-N 3.25Å; D120-R123 WeakPolarHBondContact O-CB 3.37Å; D120-R123 PolarHBondContact O-N 2.61Å; G121-R123 VanDerWaalsContact C-N 3.3Å; G121-R123 PolarHBondContact O-N 3.34Å; R123-I125 VanDerWaalsContact C-N 3.32Å; R123-V136 HydrophobicContact CB-CG1 4.46Å; R123-D137 IonicContact CZ-OD1 3.02Å; R123-D137 IonicContact NE-OD1 3.92Å; R123-D137 IonicContact NH2-OD1 3.78Å; R123-D137 IonicContact NH2-OD2 3.31Å; R123-Q241 VanDerWaalsContact NH1-CB 3.3Å |
| 124 | H | 88.9 | Confident | 89.4 | Confident | 104 Ų | 104 | 38.8 Ų | 38.8 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.4 | -30.1 | 174.5 | -162.6 | 70.6 | 0 | 0 | 0 | 112.7 | D120 G121 I122 H127 | D120-H124 PolarHBondContact O-N 2.87Å; G121-H124 WeakPolarHBondContact O-CB 3.29Å; G121-H124 PolarHBondContact O-N 3.34Å; G121-H124 VanDerWaalsContact O-N 3.15Å; I122-H124 PolarHBondContact O-N 3.48Å; H124-H127 PolarHBondContact O-CD2 2.95Å; H124-H127 PolarHBondContact O-CE1 3.04Å; H124-H127 PolarHBondContact O-NE2 3.21Å |
| 125 | I | 90.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.1 | -39.2 | 177.5 | -68.6 | 168.8 | 0 | 0 | 0 | 111.4 | C18 Y19 D22 M39 G121 I122 R123 H127 | C18-I125 HydrophobicContact CB-CD1 4.15Å; Y19-I125 HydrophobicContact CD1-CD1 3.6Å; Y19-I125 HydrophobicContact CE1-CD1 4.06Å; D22-I125 HydrophobicContact CB-CD1 3.85Å; D22-I125 HydrophobicContact CB-CG1 4.24Å; D22-I125 HydrophobicContact CB-CG2 4.12Å; M39-I125 HydrophobicContact CB-CG2 3.92Å; M39-I125 HydrophobicContact CE-CG2 3.66Å; M39-I125 HydrophobicContact CG-CG2 3.75Å; M39-I125 HydrophobicContact SD-CG2 4.47Å; G121-I125 WeakPolarHBondContact O-CG1 3.27Å; G121-I125 PolarHBondContact O-N 2.96Å; I122-I125 WeakPolarHBondContact O-CB 3.48Å; I122-I125 PolarHBondContact O-N 3.4Å; R123-I125 VanDerWaalsContact C-N 3.32Å; I125-H127 PolarHBondContact O-N 3.43Å |
| 126 | V | 88.8 | Confident | 89.4 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -82.2 | 85.6 | 180 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | N40 V43 I122 T132 V133 | N40-V126 WeakPolarHBondContact OD1-CB 3.33Å; V43-V126 HydrophobicContact CB-CG1 3.74Å; V43-V126 HydrophobicContact CG1-CG1 3.83Å; V43-V126 HydrophobicContact CG2-CG1 3.62Å; I122-V126 WeakPolarHBondContact O-CG2 3.4Å; I122-V126 PolarHBondContact O-N 3.33Å; V126-T132 HydrophobicContact CB-CG2 4.13Å; V126-T132 HydrophobicContact CG1-CG2 3.96Å; V126-T132 HydrophobicContact CG2-CG2 4.26Å; V126-V133 HydrophobicContact CG2-CG2 4.27Å | ||
| 127 | H | 72.9 | Confident | 89.4 | Confident | 101 Ų | 101 | 42.2 Ų | 42.2 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | trans | -89.1 | 142 | 171.4 | -64 | -51 | 0 | 0 | 0 | 111.6 | R36 N40 H124 I125 S129 | R36-H127 WeakPolarHBondContact CD-O 3.22Å; R36-H127 WeakPolarHBondContact CG-O 2.95Å; N40-H127 PolarHBondContact ND2-O 3.36Å; H124-H127 PolarHBondContact O-CD2 2.95Å; H124-H127 PolarHBondContact O-CE1 3.04Å; H124-H127 PolarHBondContact O-NE2 3.21Å; I125-H127 PolarHBondContact O-N 3.43Å; H127-S129 PolarHBondContact O-N 2.9Å | ||
| 128 | G | 71.9 | Confident | 89.4 | Confident | 85 Ų | 85 | 45.9 Ų | 45.9 | 88% | 0.876 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 84.2 | -4.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 129 | S | 83.8 | Confident | 89.4 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | trans | -109.1 | 100.7 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | H127 N131 T132 V133 | H127-S129 PolarHBondContact O-N 2.9Å; S129-N131 PolarHBondContact O-N 3.11Å; S129-T132 VanDerWaalsContact CB-OG1 3.32Å; S129-T132 WeakPolarHBondContact CB-OG1 2.99Å; S129-T132 PolarHBondContact O-N 3.3Å; S129-T132 WeakPolarHBondContact OG-CB 3.41Å; S129-T132 PolarHBondContact OG-N 3.44Å; S129-T132 PolarHBondContact OG-OG1 3.07Å; S129-V133 WeakPolarHBondContact O-CG2 3.36Å; S129-V133 PolarHBondContact O-N 3.34Å; S129-V133 VanDerWaalsContact O-N 3.08Å | ||
| 130 | H | 87.5 | Confident | 89.3 | Confident | 138 Ų | 138 | 47 Ų | 47 | 64% | 0.639 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.5 | -34.9 | 178.7 | -166.1 | -49.4 | 0 | 0 | 0 | 111.9 | N134 | H130-N134 PolarHBondContact CE1-ND2 3.12Å; H130-N134 PolarHBondContact CE1-OD1 3.07Å; H130-N134 PolarHBondContact ND1-ND2 2.84Å; H130-N134 PolarHBondContact ND1-OD1 3.01Å; H130-N134 WeakPolarHBondContact O-CB 3.2Å; H130-N134 PolarHBondContact O-N 3.49Å; H130-N134 PolarHBondContact O-ND2 2.98Å; H130-N134 PolarHBondContact O-OD1 3.26Å |
| 131 | N | 90.7 | Very high | 89.4 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 178.2 | -68.6 | -15.7 | 0 | 0 | 0 | 111.8 | S129 N134 Q135 | S129-N131 PolarHBondContact O-N 3.11Å; N131-N134 WeakPolarHBondContact O-CB 3.44Å; N131-N134 PolarHBondContact O-N 2.95Å; N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.4Å |
| 132 | T | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | -179.9 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | V43 S44 V126 S129 Q135 V136 | V43-T132 HydrophobicContact CB-CG2 3.86Å; V43-T132 HydrophobicContact CG1-CG2 3.54Å; S44-T132 WeakPolarHBondContact OG-CG2 3.36Å; S44-T132 PolarHBondContact OG-OG1 3.38Å; V126-T132 HydrophobicContact CB-CG2 4.13Å; V126-T132 HydrophobicContact CG1-CG2 3.96Å; V126-T132 HydrophobicContact CG2-CG2 4.26Å; S129-T132 VanDerWaalsContact CB-OG1 3.32Å; S129-T132 WeakPolarHBondContact CB-OG1 2.99Å; S129-T132 PolarHBondContact O-N 3.3Å; S129-T132 WeakPolarHBondContact OG-CB 3.41Å; S129-T132 PolarHBondContact OG-N 3.44Å; S129-T132 PolarHBondContact OG-OG1 3.07Å; T132-Q135 WeakPolarHBondContact O-CB 3.45Å; T132-Q135 PolarHBondContact O-N 3.26Å; T132-V136 WeakPolarHBondContact O-CG2 3.45Å; T132-V136 PolarHBondContact O-N 2.84Å; T132-V136 VanDerWaalsContact O-N 3.15Å |
| 133 | V | 91.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 111 | V126 S129 Q135 V136 D137 | V126-V133 HydrophobicContact CG2-CG2 4.27Å; S129-V133 WeakPolarHBondContact O-CG2 3.36Å; S129-V133 PolarHBondContact O-N 3.34Å; S129-V133 VanDerWaalsContact O-N 3.08Å; V133-Q135 VanDerWaalsContact C-N 3.25Å; V133-Q135 PolarHBondContact O-N 3.4Å; V133-V136 PolarHBondContact O-N 2.98Å; V133-V136 VanDerWaalsContact O-N 3.16Å; V133-D137 PolarHBondContact O-N 3.18Å |
| 134 | N | 92.2 | Very high | 89.4 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 176.2 | -71.4 | -12.9 | 0 | 0 | 0 | 112.6 | H130 N131 D137 H138 | H130-N134 PolarHBondContact CE1-ND2 3.12Å; H130-N134 PolarHBondContact CE1-OD1 3.07Å; H130-N134 PolarHBondContact ND1-ND2 2.84Å; H130-N134 PolarHBondContact ND1-OD1 3.01Å; H130-N134 WeakPolarHBondContact O-CB 3.2Å; H130-N134 PolarHBondContact O-N 3.49Å; H130-N134 PolarHBondContact O-ND2 2.98Å; H130-N134 PolarHBondContact O-OD1 3.26Å; N131-N134 WeakPolarHBondContact O-CB 3.44Å; N131-N134 PolarHBondContact O-N 2.95Å; N134-D137 PolarHBondContact O-N 3.18Å; N134-H138 WeakPolarHBondContact O-CB 3.42Å; N134-H138 PolarHBondContact O-N 3.47Å |
| 135 | Q | 93.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176 | -74.5 | 173.4 | -45.7 | 0 | 0 | 112.1 | S44 F47 N131 T132 V133 H138 A139 | S44-Q135 VanDerWaalsContact CA-OE1 3.26Å; S44-Q135 PolarHBondContact O-NE2 3.49Å; S44-Q135 PolarHBondContact OG-OE1 3.36Å; F47-Q135 HydrophobicContact CB-CB 3.96Å; F47-Q135 WeakPolarHBondContact O-CB 3.24Å; N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.4Å; T132-Q135 WeakPolarHBondContact O-CB 3.45Å; T132-Q135 PolarHBondContact O-N 3.26Å; V133-Q135 VanDerWaalsContact C-N 3.25Å; V133-Q135 PolarHBondContact O-N 3.4Å; Q135-H138 WeakPolarHBondContact O-CB 3.36Å; Q135-H138 PolarHBondContact O-N 2.77Å; Q135-A139 PolarHBondContact O-N 2.71Å |
| 136 | V | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 173.3 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | V43 F47 L119 I122 R123 T132 V133 H138 A139 Y140 | V43-V136 HydrophobicContact CG1-CG2 3.81Å; F47-V136 HydrophobicContact CD2-CG2 4.06Å; F47-V136 HydrophobicContact CE2-CG2 4.41Å; F47-V136 HydrophobicContact CG-CG2 4.43Å; L119-V136 HydrophobicContact CB-CG1 4.49Å; L119-V136 HydrophobicContact CD2-CG1 4.44Å; I122-V136 HydrophobicContact CG2-CG2 4.17Å; R123-V136 HydrophobicContact CB-CG1 4.46Å; T132-V136 WeakPolarHBondContact O-CG2 3.45Å; T132-V136 PolarHBondContact O-N 2.84Å; T132-V136 VanDerWaalsContact O-N 3.15Å; V133-V136 PolarHBondContact O-N 2.98Å; V133-V136 VanDerWaalsContact O-N 3.16Å; V136-H138 VanDerWaalsContact C-N 3.3Å; V136-H138 PolarHBondContact O-N 3.47Å; V136-A139 WeakPolarHBondContact O-CB 3.17Å; V136-A139 PolarHBondContact O-N 3.19Å; V136-A139 VanDerWaalsContact O-N 3.15Å; V136-Y140 HydrophobicContact CG1-CD2 4.04Å; V136-Y140 HydrophobicContact CG1-CE2 3.91Å; V136-Y140 VanDerWaalsContact O-CD2 3.3Å; V136-Y140 WeakPolarHBondContact O-CD2 3.3Å; V136-Y140 PolarHBondContact O-N 3.45Å |
| 137 | D | 91.6 | Very high | 90 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -34.6 | 176.5 | -72.3 | -21.2 | 0 | 0 | 0 | 112.2 | R123 V133 N134 Y140 S141 Q241 | R123-D137 IonicContact CZ-OD1 3.02Å; R123-D137 IonicContact NE-OD1 3.92Å; R123-D137 IonicContact NH2-OD1 3.78Å; R123-D137 IonicContact NH2-OD2 3.31Å; V133-D137 PolarHBondContact O-N 3.18Å; N134-D137 PolarHBondContact O-N 3.18Å; D137-Y140 WeakPolarHBondContact O-CB 3.33Å; D137-Y140 PolarHBondContact O-N 3.36Å; D137-S141 PolarHBondContact O-N 3.4Å; D137-S141 VanDerWaalsContact O-N 3.14Å; D137-Q241 PolarHBondContact OD1-NE2 3.21Å |
| 138 | H | 93.2 | Very high | 90.8 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 38% | 0.384 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 171.8 | -176.4 | 53.3 | 0 | 0 | 0 | 111.8 | N134 Q135 V136 Y140 S141 I142 | N134-H138 WeakPolarHBondContact O-CB 3.42Å; N134-H138 PolarHBondContact O-N 3.47Å; Q135-H138 WeakPolarHBondContact O-CB 3.36Å; Q135-H138 PolarHBondContact O-N 2.77Å; V136-H138 VanDerWaalsContact C-N 3.3Å; V136-H138 PolarHBondContact O-N 3.47Å; H138-Y140 VanDerWaalsContact C-N 3.31Å; H138-Y140 PolarHBondContact O-N 3.23Å; H138-S141 WeakPolarHBondContact O-CB 3.37Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 VanDerWaalsContact O-N 3.1Å; H138-I142 VanDerWaalsContact NE2-CD1 3.31Å; H138-I142 WeakPolarHBondContact NE2-CD1 3.35Å; H138-I142 WeakPolarHBondContact O-CG1 3.37Å; H138-I142 PolarHBondContact O-N 2.96Å |
| 139 | A | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F11 F47 L52 Q135 V136 S141 I142 L143 | F11-A139 HydrophobicContact CE2-CB 4.06Å; F11-A139 HydrophobicContact CZ-CB 3.79Å; F47-A139 HydrophobicContact CD1-CB 3.46Å; F47-A139 VanDerWaalsContact CD1-CB 3.46Å; F47-A139 HydrophobicContact CE1-CB 3.91Å; F47-A139 HydrophobicContact CG-CB 4.41Å; L52-A139 HydrophobicContact CD1-CB 4.04Å; L52-A139 HydrophobicContact CD2-CB 4.42Å; Q135-A139 PolarHBondContact O-N 2.71Å; V136-A139 WeakPolarHBondContact O-CB 3.17Å; V136-A139 PolarHBondContact O-N 3.19Å; V136-A139 VanDerWaalsContact O-N 3.15Å; A139-S141 PolarHBondContact O-N 2.81Å; A139-I142 PolarHBondContact O-N 3.27Å; A139-L143 VanDerWaalsContact O-CB 3.27Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.5Å |
| 140 | Y | 92.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 170.2 | -91.8 | -69.6 | 0 | 0 | 0 | 112.4 | L116 L119 D120 V136 D137 H138 L143 R144 | L116-Y140 HydrophobicContact CB-CE1 4.32Å; L116-Y140 HydrophobicContact CD2-CD1 3.52Å; L116-Y140 HydrophobicContact CD2-CE1 3.43Å; L116-Y140 VanDerWaalsContact CD2-CE1 3.43Å; L116-Y140 HydrophobicContact CG-CE1 4.47Å; L116-Y140 PolarHBondContact O-OH 2.84Å; L119-Y140 HydrophobicContact CB-CD1 4.39Å; L119-Y140 HydrophobicContact CB-CD2 4.19Å; L119-Y140 HydrophobicContact CB-CE1 3.7Å; L119-Y140 HydrophobicContact CB-CE2 3.49Å; L119-Y140 VanDerWaalsContact CB-CE2 3.49Å; L119-Y140 VanDerWaalsContact CB-OH 3.3Å; L119-Y140 WeakPolarHBondContact CB-OH 3.3Å; L119-Y140 HydrophobicContact CD1-CD1 3.71Å; L119-Y140 HydrophobicContact CD1-CD2 4.21Å; L119-Y140 HydrophobicContact CD1-CE1 3.77Å; L119-Y140 HydrophobicContact CD1-CE2 4.3Å; L119-Y140 HydrophobicContact CD1-CG 3.94Å; L119-Y140 HydrophobicContact CG-CE1 4.4Å; L119-Y140 HydrophobicContact CG-CE2 4.48Å; D120-Y140 VanDerWaalsContact CA-OH 3.26Å; D120-Y140 WeakPolarHBondContact CA-OH 3.39Å; D120-Y140 WeakPolarHBondContact CB-OH 3.41Å; D120-Y140 PolarHBondContact N-OH 3.36Å; D120-Y140 PolarHBondContact OD1-OH 3.43Å; V136-Y140 HydrophobicContact CG1-CD2 4.04Å; V136-Y140 HydrophobicContact CG1-CE2 3.91Å; V136-Y140 VanDerWaalsContact O-CD2 3.3Å; V136-Y140 WeakPolarHBondContact O-CD2 3.3Å; V136-Y140 PolarHBondContact O-N 3.45Å; D137-Y140 WeakPolarHBondContact O-CB 3.33Å; D137-Y140 PolarHBondContact O-N 3.36Å; H138-Y140 VanDerWaalsContact C-N 3.31Å; H138-Y140 PolarHBondContact O-N 3.23Å; Y140-L143 PolarHBondContact O-N 2.94Å; Y140-R144 WeakPolarHBondContact O-CB 3.49Å; Y140-R144 PolarHBondContact O-N 3.35Å |
| 141 | S | 92.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | -179.4 | -173 | 0 | 0 | 0 | 0 | 111.8 | D137 H138 A139 R144 S145 | D137-S141 PolarHBondContact O-N 3.4Å; D137-S141 VanDerWaalsContact O-N 3.14Å; H138-S141 WeakPolarHBondContact O-CB 3.37Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 VanDerWaalsContact O-N 3.1Å; A139-S141 PolarHBondContact O-N 2.81Å; S141-R144 PolarHBondContact O-N 3.43Å; S141-S145 PolarHBondContact O-N 2.96Å; S141-S145 PolarHBondContact O-OG 3.01Å |
| 142 | I | 93.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 178.9 | -59.8 | 171.2 | 0 | 0 | 0 | 111.3 | L52 F56 H138 A139 R144 S145 T146 | L52-I142 HydrophobicContact CB-CD1 4.39Å; L52-I142 HydrophobicContact CD1-CD1 4.49Å; F56-I142 HydrophobicContact CD1-CG2 3.45Å; F56-I142 VanDerWaalsContact CD1-CG2 3.45Å; F56-I142 HydrophobicContact CD2-CG2 3.93Å; F56-I142 HydrophobicContact CE1-CB 4.39Å; F56-I142 HydrophobicContact CE1-CG2 3.41Å; F56-I142 VanDerWaalsContact CE1-CG2 3.41Å; F56-I142 HydrophobicContact CE2-CG2 3.88Å; F56-I142 HydrophobicContact CG-CG2 3.72Å; F56-I142 HydrophobicContact CZ-CB 4.24Å; F56-I142 HydrophobicContact CZ-CG2 3.62Å; H138-I142 VanDerWaalsContact NE2-CD1 3.31Å; H138-I142 WeakPolarHBondContact NE2-CD1 3.35Å; H138-I142 WeakPolarHBondContact O-CG1 3.37Å; H138-I142 PolarHBondContact O-N 2.96Å; A139-I142 PolarHBondContact O-N 3.27Å; I142-R144 VanDerWaalsContact C-N 3.25Å; I142-R144 PolarHBondContact O-N 3.01Å; I142-S145 WeakPolarHBondContact CA-OG 3.27Å; I142-S145 PolarHBondContact O-N 3.39Å; I142-S145 PolarHBondContact O-OG 3.07Å; I142-S145 VanDerWaalsContact O-OG 3.06Å; I142-T146 VanDerWaalsContact O-CB 3.23Å; I142-T146 WeakPolarHBondContact O-CB 3.49Å; I142-T146 PolarHBondContact O-N 3.45Å; I142-T146 PolarHBondContact O-OG1 3.29Å |
| 143 | L | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 176.5 | -176.3 | 79.3 | 0 | 0 | 0 | 110.3 | L8 F11 T115 L116 L119 A139 Y140 T146 Y147 | L8-L143 HydrophobicContact CD2-CD1 3.51Å; F11-L143 HydrophobicContact CD2-CD1 4.13Å; F11-L143 HydrophobicContact CE2-CB 4.36Å; F11-L143 HydrophobicContact CE2-CD1 4.25Å; T115-L143 HydrophobicContact CG2-CD1 4.02Å; T115-L143 HydrophobicContact CG2-CD2 3.84Å; L116-L143 HydrophobicContact CD2-CD2 3.75Å; L116-L143 HydrophobicContact CG-CD2 4.34Å; L119-L143 HydrophobicContact CD1-CD2 4Å; A139-L143 VanDerWaalsContact O-CB 3.27Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 PolarHBondContact O-N 3.5Å; Y140-L143 PolarHBondContact O-N 2.94Å; L143-T146 PolarHBondContact O-N 3Å; L143-Y147 HydrophobicContact CD1-CD2 3.57Å; L143-Y147 HydrophobicContact CD1-CE2 3.75Å; L143-Y147 HydrophobicContact CG-CD2 4.19Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.36Å |
| 144 | R | 90 | Very high | 92.5 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 49% | 0.494 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -54.8 | 179.1 | -174.5 | 177.6 | -178.9 | 158.6 | 4.5 | 111.6 | Y140 S141 I142 T146 F148 | Y140-R144 WeakPolarHBondContact O-CB 3.49Å; Y140-R144 PolarHBondContact O-N 3.35Å; S141-R144 PolarHBondContact O-N 3.43Å; I142-R144 VanDerWaalsContact C-N 3.25Å; I142-R144 PolarHBondContact O-N 3.01Å; R144-T146 PolarHBondContact O-N 3.47Å; R144-F148 HydrophobicContact CB-CD2 4.38Å; R144-F148 HydrophobicContact CG-CB 4.31Å; R144-F148 HydrophobicContact CG-CD2 4.23Å; R144-F148 HydrophobicContact CG-CG 4.12Å; R144-F148 WeakPolarHBondContact O-CB 3.48Å; R144-F148 PolarHBondContact O-N 3.45Å; R144-F148 VanDerWaalsContact O-N 3.15Å |
| 145 | S | 92.6 | Very high | 92.6 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.1 | -26.4 | -178.3 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | S141 I142 | S141-S145 PolarHBondContact O-N 2.96Å; S141-S145 PolarHBondContact O-OG 3.01Å; I142-S145 WeakPolarHBondContact CA-OG 3.27Å; I142-S145 PolarHBondContact O-N 3.39Å; I142-S145 PolarHBondContact O-OG 3.07Å; I142-S145 VanDerWaalsContact O-OG 3.06Å |
| 146 | T | 93.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.2 | -47.5 | -178.6 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | K4 F56 I142 L143 R144 M150 | K4-T146 HydrophobicContact CD-CG2 4.48Å; F56-T146 HydrophobicContact CD1-CG2 4.1Å; F56-T146 HydrophobicContact CE1-CG2 4.2Å; I142-T146 VanDerWaalsContact O-CB 3.23Å; I142-T146 WeakPolarHBondContact O-CB 3.49Å; I142-T146 PolarHBondContact O-N 3.45Å; I142-T146 PolarHBondContact O-OG1 3.29Å; L143-T146 PolarHBondContact O-N 3Å; R144-T146 PolarHBondContact O-N 3.47Å; T146-M150 HydrophobicContact CG2-CE 4.31Å; T146-M150 WeakPolarHBondContact O-CE 3.3Å |
| 147 | Y | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -107.5 | -23.9 | -164.8 | -64.4 | -80.3 | 0 | 0 | 0 | 115.1 | K4 P7 L8 F56 L112 L143 D149 M150 I158 | K4-Y147 HydrophobicContact CB-CE1 4.17Å; K4-Y147 VanDerWaalsContact O-CE1 3.27Å; K4-Y147 WeakPolarHBondContact O-CE1 3.35Å; K4-Y147 PolarHBondContact O-OH 3.19Å; P7-Y147 HydrophobicContact CB-CE2 4.39Å; P7-Y147 WeakPolarHBondContact CB-OH 3.35Å; P7-Y147 WeakPolarHBondContact CD-OH 3.26Å; P7-Y147 VanDerWaalsContact CG-OH 3.24Å; P7-Y147 WeakPolarHBondContact CG-OH 3.44Å; L8-Y147 HydrophobicContact CD1-CD1 4.36Å; L8-Y147 HydrophobicContact CD1-CE1 4.08Å; L8-Y147 HydrophobicContact CD2-CD2 4.16Å; L8-Y147 HydrophobicContact CD2-CE1 4.4Å; L8-Y147 HydrophobicContact CD2-CE2 3.88Å; L8-Y147 HydrophobicContact CG-CE1 4.03Å; L8-Y147 HydrophobicContact CG-CE2 4.24Å; F56-Y147 AromaticContact CE1-CE2 3.76Å; F56-Y147 HydrophobicContact CE1-CE2 3.76Å; F56-Y147 HydrophobicContact CZ-CE2 4.41Å; L112-Y147 HydrophobicContact CD2-CD1 4.34Å; L112-Y147 HydrophobicContact CD2-CG 4.02Å; L143-Y147 HydrophobicContact CD1-CD2 3.57Å; L143-Y147 HydrophobicContact CD1-CE2 3.75Å; L143-Y147 HydrophobicContact CG-CD2 4.19Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.36Å; Y147-D149 PolarHBondContact O-N 3.37Å; Y147-M150 HydrophobicContact CD1-CE 3.93Å; Y147-M150 HydrophobicContact CD1-SD 3.71Å; Y147-M150 HydrophobicContact CE1-CE 4.24Å; Y147-M150 HydrophobicContact CE1-SD 4.41Å; Y147-M150 WeakPolarHBondContact O-CB 3.12Å; Y147-M150 PolarHBondContact O-N 2.78Å; Y147-I158 HydrophobicContact CD1-CD1 3.95Å; Y147-I158 HydrophobicContact CE1-CD1 3.81Å |
| 148 | F | 89.8 | Confident | 93 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -28 | -171.7 | -84.1 | -115.8 | 0 | 0 | 0 | 113.1 | L112 L116 R144 M150 L236 | L112-F148 HydrophobicContact CB-CE2 4.16Å; L112-F148 HydrophobicContact CB-CZ 4.38Å; L112-F148 HydrophobicContact CD1-CD2 4.21Å; L112-F148 HydrophobicContact CD1-CE2 4.19Å; L116-F148 HydrophobicContact CD1-CE2 4.48Å; L116-F148 HydrophobicContact CD1-CZ 3.73Å; L116-F148 HydrophobicContact CG-CZ 4.45Å; R144-F148 HydrophobicContact CB-CD2 4.38Å; R144-F148 HydrophobicContact CG-CB 4.31Å; R144-F148 HydrophobicContact CG-CD2 4.23Å; R144-F148 HydrophobicContact CG-CG 4.12Å; R144-F148 WeakPolarHBondContact O-CB 3.48Å; R144-F148 PolarHBondContact O-N 3.45Å; R144-F148 VanDerWaalsContact O-N 3.15Å; F148-M150 VanDerWaalsContact C-N 3.3Å; F148-L236 HydrophobicContact CE1-CD2 3.9Å; F148-L236 HydrophobicContact CZ-CD2 4.39Å |
| 149 | D | 89.6 | Confident | 93.2 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 79% | 0.791 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.5 | 176.1 | -62.4 | -29.9 | 0 | 0 | 0 | 112.9 | Y147 | Y147-D149 PolarHBondContact O-N 3.37Š|
| 150 | M | 92.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -72.8 | 145.6 | 178.7 | -72.1 | -174.6 | 173.5 | 0 | 0 | 112.2 | K4 T146 Y147 F148 Q154 L155 I158 | K4-M150 HydrophobicContact CB-CE 4.33Å; K4-M150 HydrophobicContact CD-CE 3.22Å; K4-M150 HydrophobicContact CG-CE 4.4Å; T146-M150 HydrophobicContact CG2-CE 4.31Å; T146-M150 WeakPolarHBondContact O-CE 3.3Å; Y147-M150 HydrophobicContact CD1-CE 3.93Å; Y147-M150 HydrophobicContact CD1-SD 3.71Å; Y147-M150 HydrophobicContact CE1-CE 4.24Å; Y147-M150 HydrophobicContact CE1-SD 4.41Å; Y147-M150 WeakPolarHBondContact O-CB 3.12Å; Y147-M150 PolarHBondContact O-N 2.78Å; F148-M150 VanDerWaalsContact C-N 3.3Å; M150-Q154 HydrophobicContact CB-CB 4.31Å; M150-Q154 HydrophobicContact SD-CB 4.33Å; M150-L155 HydrophobicContact CB-CD2 3.96Å; M150-L155 HydrophobicContact CB-CG 4.18Å; M150-L155 HydrophobicContact SD-CD2 3.97Å; M150-I158 HydrophobicContact CE-CD1 4.44Å; M150-I158 HydrophobicContact SD-CD1 3.74Å | ||
| 151 | N | 92.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | trans | -73.8 | 164.7 | 172.6 | 65.9 | 34.8 | 0 | 0 | 0 | 111.6 | S153 Q154 L155 | N151-S153 VanDerWaalsContact C-N 3.33Å; N151-S153 PolarHBondContact O-N 3.1Å; N151-S153 PolarHBondContact OD1-N 3.18Å; N151-S153 PolarHBondContact OD1-OG 3.35Å; N151-Q154 PolarHBondContact O-N 3.42Å; N151-Q154 VanDerWaalsContact OD1-CB 3.28Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.26Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.46Å; N151-Q154 PolarHBondContact OD1-N 2.89Å; N151-Q154 PolarHBondContact OD1-OE1 2.92Å; N151-L155 PolarHBondContact O-N 2.82Å | ||
| 152 | M | 90.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | -178.3 | -71.8 | -52 | 89.4 | 0 | 0 | 113.5 | R109 Q154 L155 Y156 | R109-M152 HydrophobicContact CG-CE 3.7Å; R109-M152 HydrophobicContact CG-SD 3.82Å; R109-M152 VanDerWaalsContact NH2-CE 3.3Å; M152-Q154 VanDerWaalsContact C-N 3.33Å; M152-Q154 PolarHBondContact O-N 2.99Å; M152-L155 HydrophobicContact CE-CD1 3.37Å; M152-L155 HydrophobicContact CE-CG 4.14Å; M152-L155 PolarHBondContact O-N 3.42Å; M152-L155 HydrophobicContact SD-CD1 4.29Å; M152-Y156 HydrophobicContact CB-CD2 4.19Å; M152-Y156 HydrophobicContact CB-CE2 4.13Å; M152-Y156 WeakPolarHBondContact O-CB 3.35Å; M152-Y156 WeakPolarHBondContact O-CD2 3.14Å; M152-Y156 PolarHBondContact O-N 3.46Å |
| 153 | S | 92.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 112 | N151 Y156 Y157 | N151-S153 VanDerWaalsContact C-N 3.33Å; N151-S153 PolarHBondContact O-N 3.1Å; N151-S153 PolarHBondContact OD1-N 3.18Å; N151-S153 PolarHBondContact OD1-OG 3.35Å; S153-Y156 PolarHBondContact O-N 3.25Å; S153-Y157 WeakPolarHBondContact O-CB 3.48Å; S153-Y157 PolarHBondContact O-N 3.43Å |
| 154 | Q | 94.9 | Very high | 94 | Very high | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 173.8 | -74.1 | 169.1 | -35 | 0 | 0 | 111.7 | M150 N151 M152 Y157 I158 | M150-Q154 HydrophobicContact CB-CB 4.31Å; M150-Q154 HydrophobicContact SD-CB 4.33Å; N151-Q154 PolarHBondContact O-N 3.42Å; N151-Q154 VanDerWaalsContact OD1-CB 3.28Å; N151-Q154 WeakPolarHBondContact OD1-CB 3.26Å; N151-Q154 WeakPolarHBondContact OD1-CG 3.46Å; N151-Q154 PolarHBondContact OD1-N 2.89Å; N151-Q154 PolarHBondContact OD1-OE1 2.92Å; M152-Q154 VanDerWaalsContact C-N 3.33Å; M152-Q154 PolarHBondContact O-N 2.99Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Q154-I158 WeakPolarHBondContact O-CG1 3.4Å; Q154-I158 PolarHBondContact O-N 3.03Å |
| 155 | L | 94.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 178 | -63.7 | -172.6 | 0 | 0 | 0 | 112.3 | P108 R109 L112 M150 N151 M152 Y157 I158 R159 | P108-L155 HydrophobicContact CB-CB 3.48Å; P108-L155 VanDerWaalsContact CB-CB 3.48Å; R109-L155 HydrophobicContact CG-CD1 3.79Å; L112-L155 HydrophobicContact CD1-CD1 4.1Å; L112-L155 HydrophobicContact CD1-CD2 4.22Å; L112-L155 HydrophobicContact CD2-CD2 4.48Å; M150-L155 HydrophobicContact CB-CD2 3.96Å; M150-L155 HydrophobicContact CB-CG 4.18Å; M150-L155 HydrophobicContact SD-CD2 3.97Å; N151-L155 PolarHBondContact O-N 2.82Å; M152-L155 HydrophobicContact CE-CD1 3.37Å; M152-L155 HydrophobicContact CE-CG 4.14Å; M152-L155 PolarHBondContact O-N 3.42Å; M152-L155 HydrophobicContact SD-CD1 4.29Å; L155-Y157 VanDerWaalsContact C-N 3.31Å; L155-Y157 PolarHBondContact O-N 2.98Å; L155-I158 HydrophobicContact CD2-CD1 4.14Å; L155-I158 PolarHBondContact O-N 2.99Å; L155-R159 WeakPolarHBondContact O-CB 3.35Å; L155-R159 PolarHBondContact O-N 2.93Å |
| 156 | Y | 94.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 172.5 | -85.3 | -65.2 | 0 | 0 | 0 | 111.1 | P108 M152 S153 I158 R159 Q160 | P108-Y156 HydrophobicContact CG-CD1 3.28Å; P108-Y156 HydrophobicContact CG-CD2 3.98Å; P108-Y156 HydrophobicContact CG-CE1 3.28Å; P108-Y156 HydrophobicContact CG-CE2 3.98Å; P108-Y156 HydrophobicContact CG-CG 3.62Å; M152-Y156 HydrophobicContact CB-CD2 4.19Å; M152-Y156 HydrophobicContact CB-CE2 4.13Å; M152-Y156 WeakPolarHBondContact O-CB 3.35Å; M152-Y156 WeakPolarHBondContact O-CD2 3.14Å; M152-Y156 PolarHBondContact O-N 3.46Å; S153-Y156 PolarHBondContact O-N 3.25Å; Y156-I158 PolarHBondContact O-N 2.96Å; Y156-R159 PolarHBondContact O-N 3.06Å; Y156-Q160 WeakPolarHBondContact O-CB 3.47Å; Y156-Q160 PolarHBondContact O-N 3.45Å |
| 157 | Y | 95.7 | Very high | 94.3 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 41% | 0.408 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 179 | -161.5 | -123.6 | 0 | 0 | 0 | 112.6 | M1 S153 Q154 L155 T161 | M1-Y157 WeakPolarHBondContact CA-OH 3.37Å; M1-Y157 PolarHBondContact N-OH 2.75Å; M1-Y157 VanDerWaalsContact O-CE1 3.32Å; M1-Y157 WeakPolarHBondContact O-CE1 3.36Å; S153-Y157 WeakPolarHBondContact O-CB 3.48Å; S153-Y157 PolarHBondContact O-N 3.43Å; Q154-Y157 PolarHBondContact O-N 3.15Å; L155-Y157 VanDerWaalsContact C-N 3.31Å; L155-Y157 PolarHBondContact O-N 2.98Å; Y157-T161 WeakPolarHBondContact O-CB 3.49Å; Y157-T161 PolarHBondContact O-N 2.87Å; Y157-T161 PolarHBondContact O-OG1 2.9Å |
| 158 | I | 97.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -51 | 171.4 | -68.9 | 160.6 | 0 | 0 | 0 | 110.3 | S2 A5 L8 Y147 M150 Q154 L155 Y156 Q160 T161 L162 | S2-I158 WeakPolarHBondContact OG-CG1 3.49Å; A5-I158 HydrophobicContact CB-CG2 4.23Å; L8-I158 HydrophobicContact CD1-CG2 3.63Å; Y147-I158 HydrophobicContact CD1-CD1 3.95Å; Y147-I158 HydrophobicContact CE1-CD1 3.81Å; M150-I158 HydrophobicContact CE-CD1 4.44Å; M150-I158 HydrophobicContact SD-CD1 3.74Å; Q154-I158 WeakPolarHBondContact O-CG1 3.4Å; Q154-I158 PolarHBondContact O-N 3.03Å; L155-I158 HydrophobicContact CD2-CD1 4.14Å; L155-I158 PolarHBondContact O-N 2.99Å; Y156-I158 PolarHBondContact O-N 2.96Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 3.33Å; I158-T161 WeakPolarHBondContact O-CB 3.39Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 VanDerWaalsContact O-N 3.14Å; I158-L162 HydrophobicContact CG2-CD1 3.99Å; I158-L162 HydrophobicContact CG2-CG 4.49Å; I158-L162 WeakPolarHBondContact O-CG 3.44Å; I158-L162 PolarHBondContact O-N 2.88Å |
| 159 | R | 96.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -46 | 179.9 | -175.4 | -177.4 | 179.8 | -179.3 | 2.5 | 111.6 | L102 A105 L155 Y156 T161 L162 L163 | L102-R159 HydrophobicContact CD1-CG 4.02Å; L102-R159 PolarHBondContact O-NH2 2.71Å; A105-R159 PolarHBondContact O-NH1 3.4Å; A105-R159 PolarHBondContact O-NH2 2.97Å; L155-R159 WeakPolarHBondContact O-CB 3.35Å; L155-R159 PolarHBondContact O-N 2.93Å; Y156-R159 PolarHBondContact O-N 3.06Å; R159-T161 VanDerWaalsContact C-N 3.33Å; R159-T161 PolarHBondContact O-N 2.98Å; R159-L162 PolarHBondContact O-N 3.43Å; R159-L163 HydrophobicContact CG-CD1 4.05Å; R159-L163 HydrophobicContact CG-CG 4.46Å; R159-L163 WeakPolarHBondContact O-CB 3.31Å; R159-L163 WeakPolarHBondContact O-CG 3.27Å; R159-L163 PolarHBondContact O-N 3.4Å |
| 160 | Q | 96.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 176 | -177.6 | -175.2 | 8.5 | 0 | 0 | 111.5 | Y156 I158 L162 L163 N164 | Y156-Q160 WeakPolarHBondContact O-CB 3.47Å; Y156-Q160 PolarHBondContact O-N 3.45Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 3.33Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 2.88Å; Q160-L163 PolarHBondContact O-N 3.49Å; Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 VanDerWaalsContact O-CG 3.3Å; Q160-N164 PolarHBondContact O-N 3.23Å |
| 161 | T | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 178.2 | -60 | 0 | 0 | 0 | 0 | 111.2 | M1 S2 A5 L61 Y157 I158 R159 N164 F165 | M1-T161 HydrophobicContact CB-CG2 4.05Å; M1-T161 HydrophobicContact CE-CG2 3.97Å; M1-T161 HydrophobicContact SD-CG2 4.12Å; S2-T161 WeakPolarHBondContact CB-OG1 3.49Å; S2-T161 PolarHBondContact N-OG1 3.42Å; A5-T161 HydrophobicContact CB-CG2 3.8Å; L61-T161 HydrophobicContact CD1-CG2 3.61Å; L61-T161 HydrophobicContact CG-CG2 3.95Å; Y157-T161 WeakPolarHBondContact O-CB 3.49Å; Y157-T161 PolarHBondContact O-N 2.87Å; Y157-T161 PolarHBondContact O-OG1 2.9Å; I158-T161 WeakPolarHBondContact O-CB 3.39Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 VanDerWaalsContact O-N 3.14Å; R159-T161 VanDerWaalsContact C-N 3.33Å; R159-T161 PolarHBondContact O-N 2.98Å; T161-N164 PolarHBondContact O-N 3.15Å; T161-F165 PolarHBondContact O-N 3.23Å |
| 162 | L | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 176.6 | -65 | 169.6 | 0 | 0 | 0 | 112.7 | A5 L8 L9 L61 L102 L111 I158 R159 Q160 N164 F165 F166 | A5-L162 HydrophobicContact CB-CD2 4.12Å; A5-L162 HydrophobicContact CB-CG 4.24Å; L8-L162 HydrophobicContact CB-CD1 4.21Å; L9-L162 HydrophobicContact CB-CD2 3.7Å; L9-L162 HydrophobicContact CD1-CD2 4.17Å; L9-L162 HydrophobicContact CG-CD2 4.43Å; L61-L162 HydrophobicContact CD1-CD2 4.25Å; L102-L162 HydrophobicContact CD1-CB 4.3Å; L102-L162 HydrophobicContact CD1-CD1 4.36Å; L102-L162 HydrophobicContact CD2-CB 3.54Å; L111-L162 HydrophobicContact CD2-CD1 3.58Å; I158-L162 HydrophobicContact CG2-CD1 3.99Å; I158-L162 HydrophobicContact CG2-CG 4.49Å; I158-L162 WeakPolarHBondContact O-CG 3.44Å; I158-L162 PolarHBondContact O-N 2.88Å; R159-L162 PolarHBondContact O-N 3.43Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 2.88Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 2.82Å; L162-F165 WeakPolarHBondContact O-CB 3.44Å; L162-F165 PolarHBondContact O-N 2.88Å; L162-F166 VanDerWaalsContact O-CD2 3.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.32Å; L162-F166 PolarHBondContact O-N 3.03Å |
| 163 | L | 96.1 | Very high | 93.9 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.4 | -76.5 | 168.5 | 0 | 0 | 0 | 111.1 | L102 Q103 R159 Q160 F166 N167 | L102-L163 HydrophobicContact CD2-CD2 3.83Å; L102-L163 HydrophobicContact CD2-CG 3.93Å; L102-L163 HydrophobicContact CG-CD2 3.78Å; L102-L163 HydrophobicContact CG-CG 4.05Å; Q103-L163 HydrophobicContact CG-CD2 3.82Å; R159-L163 HydrophobicContact CG-CD1 4.05Å; R159-L163 HydrophobicContact CG-CG 4.46Å; R159-L163 WeakPolarHBondContact O-CB 3.31Å; R159-L163 WeakPolarHBondContact O-CG 3.27Å; R159-L163 PolarHBondContact O-N 3.4Å; Q160-L163 PolarHBondContact O-N 3.49Å; L163-F166 CarbonylContact O-C 3.56Å; L163-F166 PolarHBondContact O-N 3.17Å; L163-N167 PolarHBondContact O-N 3.38Å |
| 164 | N | 96.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.4 | -73.4 | -9.4 | 0 | 0 | 0 | 112.1 | M1 Q160 T161 L162 F166 N167 | M1-N164 HydrophobicContact CE-CB 3.95Å; Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 VanDerWaalsContact O-CG 3.3Å; Q160-N164 PolarHBondContact O-N 3.23Å; T161-N164 PolarHBondContact O-N 3.15Å; L162-N164 VanDerWaalsContact C-N 3.3Å; L162-N164 PolarHBondContact O-N 2.82Å; N164-F166 VanDerWaalsContact C-N 3.27Å; N164-F166 PolarHBondContact O-N 3.23Å; N164-N167 WeakPolarHBondContact O-CB 3.5Å; N164-N167 PolarHBondContact O-N 3.06Å |
| 165 | F | 96.3 | Very high | 93 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 175.4 | 176.1 | -94.6 | 0 | 0 | 0 | 112.4 | L9 L61 P62 R64 V67 T161 L162 N167 | L9-F165 HydrophobicContact CD1-CD1 3.89Å; L9-F165 HydrophobicContact CD1-CE1 3.85Å; L9-F165 HydrophobicContact CD2-CD1 4.1Å; L9-F165 HydrophobicContact CD2-CD2 4.34Å; L9-F165 HydrophobicContact CD2-CE1 3.86Å; L9-F165 HydrophobicContact CD2-CE2 4.1Å; L9-F165 HydrophobicContact CD2-CG 4.34Å; L9-F165 HydrophobicContact CD2-CZ 3.85Å; L9-F165 HydrophobicContact CG-CE1 4.47Å; L61-F165 HydrophobicContact CD1-CB 3.79Å; L61-F165 HydrophobicContact CD1-CD2 4.16Å; L61-F165 HydrophobicContact CD1-CG 4.17Å; P62-F165 WeakPolarHBondContact O-CE2 3.23Å; R64-F165 HydrophobicContact CB-CZ 4.45Å; R64-F165 HydrophobicContact CG-CD2 4.32Å; R64-F165 HydrophobicContact CG-CE1 4.4Å; R64-F165 HydrophobicContact CG-CE2 3.74Å; R64-F165 HydrophobicContact CG-CZ 3.78Å; V67-F165 HydrophobicContact CB-CZ 4.07Å; V67-F165 HydrophobicContact CG1-CZ 4.23Å; V67-F165 HydrophobicContact CG2-CE2 4Å; V67-F165 HydrophobicContact CG2-CZ 3.9Å; T161-F165 PolarHBondContact O-N 3.23Å; L162-F165 WeakPolarHBondContact O-CB 3.44Å; L162-F165 PolarHBondContact O-N 2.88Å; F165-N167 VanDerWaalsContact C-N 3.3Å |
| 166 | F | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 10.2 | 175.9 | -66.4 | -66 | 0 | 0 | 0 | 114 | L9 M13 A95 F98 K99 L102 L162 L163 N164 T169 | L9-F166 HydrophobicContact CD1-CE2 3.7Å; L9-F166 HydrophobicContact CD1-CZ 3.5Å; L9-F166 VanDerWaalsContact CD1-CZ 3.5Å; M13-F166 HydrophobicContact CG-CZ 4.47Å; M13-F166 HydrophobicContact SD-CE1 4.41Å; M13-F166 HydrophobicContact SD-CZ 3.99Å; A95-F166 HydrophobicContact CB-CD1 4.41Å; A95-F166 HydrophobicContact CB-CE1 3.85Å; F98-F166 AromaticContact CD1-CE2 3.5Å; F98-F166 HydrophobicContact CD1-CE2 3.5Å; F98-F166 AromaticContact CD1-CZ 3.62Å; F98-F166 HydrophobicContact CD1-CZ 3.62Å; F98-F166 AromaticContact CE1-CE2 3.78Å; F98-F166 HydrophobicContact CE1-CE2 3.78Å; F98-F166 HydrophobicContact CE1-CZ 4.25Å; F98-F166 HydrophobicContact CG-CE2 4.48Å; K99-F166 HydrophobicContact CB-CB 4.12Å; K99-F166 HydrophobicContact CB-CD1 4.21Å; K99-F166 HydrophobicContact CB-CD2 4.31Å; K99-F166 HydrophobicContact CB-CG 3.97Å; K99-F166 HydrophobicContact CD-CB 3.87Å; K99-F166 WeakPolarHBondContact CE-O 3.41Å; K99-F166 HydrophobicContact CG-CB 3.69Å; K99-F166 HydrophobicContact CG-CG 4.1Å; K99-F166 PolarHBondContact NZ-O 3.1Å; L102-F166 HydrophobicContact CD2-CD2 4.1Å; L102-F166 HydrophobicContact CD2-CE2 4.5Å; L162-F166 VanDerWaalsContact O-CD2 3.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.32Å; L162-F166 PolarHBondContact O-N 3.03Å; L163-F166 CarbonylContact O-C 3.56Å; L163-F166 PolarHBondContact O-N 3.17Å; N164-F166 VanDerWaalsContact C-N 3.27Å; N164-F166 PolarHBondContact O-N 3.23Å; F166-T169 PolarHBondContact O-N 3Å |
| 167 | N | 91.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 142.5 | 176.4 | -169.1 | 33.1 | 0 | 0 | 0 | 109.8 | L163 N164 F165 T169 | L163-N167 PolarHBondContact O-N 3.38Å; N164-N167 WeakPolarHBondContact O-CB 3.5Å; N164-N167 PolarHBondContact O-N 3.06Å; F165-N167 VanDerWaalsContact C-N 3.3Å; N167-T169 PolarHBondContact O-N 3.31Å |
| 168 | E | 89.1 | Confident | 91.8 | Very high | 154 Ų | 154 | 46 Ų | 46 | 72% | 0.72 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -12.4 | -178.7 | -59 | 175.9 | -177.7 | 0 | 0 | 116.7 | R170 | E168-R170 PolarHBondContact O-N 2.89Å; E168-R170 VanDerWaalsContact O-N 3.09Å |
| 169 | T | 90.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | trans | -61.4 | 113.9 | 170.8 | -51.6 | 0 | 0 | 0 | 0 | 110 | R64 M96 K99 F166 N167 | R64-T169 PolarHBondContact NH1-OG1 2.97Å; R64-T169 PolarHBondContact NH2-OG1 2.72Å; M96-T169 HydrophobicContact SD-CG2 4.03Å; K99-T169 PolarHBondContact NZ-O 3.38Å; F166-T169 PolarHBondContact O-N 3Å; N167-T169 PolarHBondContact O-N 3.31Å | ||
| 170 | R | 89.9 | Confident | 90.6 | Very high | 138 Ų | 138 | 56 Ų | 56 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | trans | -141.9 | 91.5 | -175.3 | -165.1 | -175.7 | -42.9 | -172.5 | 2.1 | 110 | E168 D185 H187 | E168-R170 PolarHBondContact O-N 2.89Å; E168-R170 VanDerWaalsContact O-N 3.09Å; R170-D185 VanDerWaalsContact CD-O 3.22Å; R170-D185 WeakPolarHBondContact CD-O 3.44Å; R170-H187 PolarHBondContact NH1-NE2 3.43Å | ||
| 171 | V | 92 | Very high | 90.2 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | trans | -116.8 | 136.5 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 109 | D92 M96 Q182 F270 | D92-V171 HydrophobicContact CB-CB 4.24Å; D92-V171 HydrophobicContact CB-CG1 3.99Å; D92-V171 HydrophobicContact CB-CG2 4.05Å; M96-V171 VanDerWaalsContact CE-O 3.26Å; M96-V171 WeakPolarHBondContact CE-O 3.42Å; M96-V171 HydrophobicContact CG-CB 3.83Å; M96-V171 HydrophobicContact SD-CB 4.44Å; V171-Q182 PolarHBondContact O-NE2 3.42Å; V171-F270 HydrophobicContact CG1-CE1 3.94Å | ||
| 172 | R | 88.6 | Confident | 89.8 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | trans | -79.5 | 121.1 | 179.3 | -70.6 | 173.9 | 60.9 | -177.1 | 4 | 109.3 | L177 E184 F270 | R172-L177 HydrophobicContact CB-CD1 4.22Å; R172-E184 WeakPolarHBondContact CD-O 3.49Å; R172-E184 PolarHBondContact NE-O 2.99Å; R172-E184 VanDerWaalsContact NE-O 3.16Å; R172-F270 VanDerWaalsContact O-CE1 3.25Å; R172-F270 WeakPolarHBondContact O-CE1 3.4Å | ||
| 173 | V | 88.4 | Confident | 89.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | trans | -108.6 | 119.8 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | L93 M96 L175 L176 L177 | L93-V173 HydrophobicContact CD2-CB 4.47Å; L93-V173 HydrophobicContact CD2-CG1 3.73Å; L93-V173 HydrophobicContact CD2-CG2 4.12Å; M96-V173 HydrophobicContact CB-CG2 3.62Å; M96-V173 HydrophobicContact CG-CG2 4.08Å; V173-L175 VanDerWaalsContact C-N 3.29Å; V173-L175 HydrophobicContact CG1-CB 4.24Å; V173-L175 PolarHBondContact O-N 3.1Å; V173-L176 HydrophobicContact CB-CB 4.21Å; V173-L176 HydrophobicContact CB-CD1 4.02Å; V173-L176 HydrophobicContact CB-CG 4.02Å; V173-L176 HydrophobicContact CG1-CD1 4.39Å; V173-L176 HydrophobicContact CG1-CG 4.04Å; V173-L176 HydrophobicContact CG2-CD1 4.32Å; V173-L176 PolarHBondContact O-N 2.91Å; V173-L176 VanDerWaalsContact O-N 3.08Å; V173-L177 WeakPolarHBondContact O-CG 3.28Å; V173-L177 PolarHBondContact O-N 3.34Å | ||
| 174 | C | 84 | Confident | 89 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.2 | -45.6 | -175.2 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | L176 L177 Q178 S269 | C174-L176 PolarHBondContact O-N 3.11Å; C174-L177 WeakPolarHBondContact O-CB 3.44Å; C174-L177 PolarHBondContact O-N 3Å; C174-Q178 WeakPolarHBondContact O-CB 3.24Å; C174-Q178 VanDerWaalsContact O-CG 3.31Å; C174-Q178 WeakPolarHBondContact O-CG 3.39Å; C174-Q178 PolarHBondContact O-N 3.41Å; C174-S269 VanDerWaalsContact CB-O 3.27Å; C174-S269 WeakPolarHBondContact CB-O 3.28Å |
| 175 | L | 84 | Confident | 88.6 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 176.2 | 177.3 | 51 | 0 | 0 | 0 | 113.1 | V173 L177 Q178 E179 I253 Y254 L267 | V173-L175 VanDerWaalsContact C-N 3.29Å; V173-L175 HydrophobicContact CG1-CB 4.24Å; V173-L175 PolarHBondContact O-N 3.1Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.26Å; L175-Q178 PolarHBondContact O-N 2.92Å; L175-E179 HydrophobicContact CD1-CG 3.95Å; L175-E179 WeakPolarHBondContact O-CG 3.37Å; L175-E179 PolarHBondContact O-N 3.16Å; L175-I253 HydrophobicContact CD2-CD1 3.44Å; L175-I253 VanDerWaalsContact CD2-CD1 3.44Å; L175-I253 HydrophobicContact CD2-CG1 4.21Å; L175-Y254 HydrophobicContact CD2-CE1 4.14Å; L175-L267 HydrophobicContact CB-CD1 3.65Å; L175-L267 HydrophobicContact CB-CG 4.01Å; L175-L267 HydrophobicContact CD1-CD1 3.3Å; L175-L267 HydrophobicContact CD1-CG 4.38Å; L175-L267 HydrophobicContact CD2-CD1 3.66Å; L175-L267 HydrophobicContact CD2-CD2 3.9Å; L175-L267 HydrophobicContact CD2-CG 3.85Å; L175-L267 HydrophobicContact CG-CD1 3.67Å; L175-L267 HydrophobicContact CG-CG 4.27Å |
| 176 | L | 86.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -32.4 | -179 | -60.3 | -178.5 | 0 | 0 | 0 | 111.7 | M97 V173 C174 K180 L181 Q182 F188 | M97-L176 HydrophobicContact CE-CD2 4.22Å; M97-L176 HydrophobicContact SD-CD1 4Å; M97-L176 HydrophobicContact SD-CD2 3.85Å; M97-L176 HydrophobicContact SD-CG 4Å; V173-L176 HydrophobicContact CB-CB 4.21Å; V173-L176 HydrophobicContact CB-CD1 4.02Å; V173-L176 HydrophobicContact CB-CG 4.02Å; V173-L176 HydrophobicContact CG1-CD1 4.39Å; V173-L176 HydrophobicContact CG1-CG 4.04Å; V173-L176 HydrophobicContact CG2-CD1 4.32Å; V173-L176 PolarHBondContact O-N 2.91Å; V173-L176 VanDerWaalsContact O-N 3.08Å; C174-L176 PolarHBondContact O-N 3.11Å; L176-K180 PolarHBondContact O-N 3.07Å; L176-L181 HydrophobicContact CB-CB 4.27Å; L176-L181 HydrophobicContact CD2-CB 4.14Å; L176-L181 HydrophobicContact CD2-CD1 3.86Å; L176-L181 WeakPolarHBondContact O-CA 3.45Å; L176-L181 PolarHBondContact O-N 3.38Å; L176-Q182 HydrophobicContact CB-CB 3.74Å; L176-Q182 PolarHBondContact O-N 2.97Å; L176-F188 HydrophobicContact CD1-CD1 4.42Å; L176-F188 HydrophobicContact CD1-CE1 3.61Å; L176-F188 HydrophobicContact CD1-CZ 4.34Å |
| 177 | L | 88.6 | Confident | 87.9 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 173 | -67.5 | 170.5 | 0 | 0 | 0 | 111.8 | R172 V173 C174 L175 E179 K180 Q182 C183 | R172-L177 HydrophobicContact CB-CD1 4.22Å; V173-L177 WeakPolarHBondContact O-CG 3.28Å; V173-L177 PolarHBondContact O-N 3.34Å; C174-L177 WeakPolarHBondContact O-CB 3.44Å; C174-L177 PolarHBondContact O-N 3Å; L175-L177 VanDerWaalsContact C-N 3.31Å; L175-L177 PolarHBondContact O-N 3.26Å; L177-E179 PolarHBondContact O-N 3.08Å; L177-K180 PolarHBondContact O-N 2.87Å; L177-K180 VanDerWaalsContact O-N 3.08Å; L177-Q182 HydrophobicContact CD2-CB 4.07Å; L177-Q182 HydrophobicContact CD2-CG 4.24Å; L177-Q182 HydrophobicContact CG-CB 4.45Å; L177-C183 WeakPolarHBondContact CD2-O 3.22Å |
| 178 | Q | 85.8 | Confident | 88 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 179.4 | -75.7 | 173.9 | -24.8 | 0 | 0 | 111.7 | C174 L175 K180 C278 | C174-Q178 WeakPolarHBondContact O-CB 3.24Å; C174-Q178 VanDerWaalsContact O-CG 3.31Å; C174-Q178 WeakPolarHBondContact O-CG 3.39Å; C174-Q178 PolarHBondContact O-N 3.41Å; L175-Q178 PolarHBondContact O-N 2.92Å; Q178-K180 PolarHBondContact O-N 3.46Å; Q178-C278 PolarHBondContact NE2-SG 3.39Å; Q178-C278 VanDerWaalsContact NE2-SG 3.44Å |
| 179 | E | 82.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.6 | 177.4 | -61.4 | -68.5 | 130.1 | 0 | 0 | 112.9 | L175 L177 L181 R262 | L175-E179 HydrophobicContact CD1-CG 3.95Å; L175-E179 WeakPolarHBondContact O-CG 3.37Å; L175-E179 PolarHBondContact O-N 3.16Å; L177-E179 PolarHBondContact O-N 3.08Å; E179-L181 HydrophobicContact CB-CD1 3.99Å; E179-L181 HydrophobicContact CB-CG 3.83Å; E179-L181 PolarHBondContact O-N 3.34Å; E179-L181 VanDerWaalsContact O-N 3.15Å; E179-R262 IonicContact OE1-NE 2.69Å; E179-R262 IonicContact OE1-NH2 2.72Å; E179-R262 IonicContact OE2-CZ 3.71Å; E179-R262 IonicContact OE2-NE 3.1Å; E179-R262 IonicContact OE2-NH2 3.97Å; E179-R262 PolarHBondContact OE2-NH2 3.45Å |
| 180 | K | 85.4 | Confident | 87.6 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 23.4 | -177.5 | -53.9 | 176.8 | -179.2 | 175 | 0 | 114.1 | L176 L177 Q178 Q182 T189 | L176-K180 PolarHBondContact O-N 3.07Å; L177-K180 PolarHBondContact O-N 2.87Å; L177-K180 VanDerWaalsContact O-N 3.08Å; Q178-K180 PolarHBondContact O-N 3.46Å; K180-Q182 VanDerWaalsContact C-N 3.32Å; K180-T189 WeakPolarHBondContact O-CB 3.06Å; K180-T189 PolarHBondContact O-OG1 3.36Å |
| 181 | L | 87.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -80.2 | -20 | 173.1 | -58.4 | -179.6 | 0 | 0 | 0 | 111.6 | Y100 L176 E179 F188 T189 | Y100-L181 HydrophobicContact CE1-CD1 4.28Å; Y100-L181 HydrophobicContact CE2-CB 3.87Å; Y100-L181 HydrophobicContact CE2-CD1 4.28Å; Y100-L181 HydrophobicContact CE2-CD2 4.4Å; Y100-L181 HydrophobicContact CE2-CG 4.4Å; Y100-L181 WeakPolarHBondContact OH-CD2 3.31Å; L176-L181 HydrophobicContact CB-CB 4.27Å; L176-L181 HydrophobicContact CD2-CB 4.14Å; L176-L181 HydrophobicContact CD2-CD1 3.86Å; L176-L181 WeakPolarHBondContact O-CA 3.45Å; L176-L181 PolarHBondContact O-N 3.38Å; E179-L181 HydrophobicContact CB-CD1 3.99Å; E179-L181 HydrophobicContact CB-CG 3.83Å; E179-L181 PolarHBondContact O-N 3.34Å; E179-L181 VanDerWaalsContact O-N 3.15Å; L181-F188 WeakPolarHBondContact O-CA 3.5Å; L181-T189 PolarHBondContact O-N 2.64Å |
| 182 | Q | 88.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 145.2 | 174 | -163.6 | -179.5 | 34.4 | 0 | 0 | 110.3 | V171 L176 L177 K180 G186 H187 F188 | V171-Q182 PolarHBondContact O-NE2 3.42Å; L176-Q182 HydrophobicContact CB-CB 3.74Å; L176-Q182 PolarHBondContact O-N 2.97Å; L177-Q182 HydrophobicContact CD2-CB 4.07Å; L177-Q182 HydrophobicContact CD2-CG 4.24Å; L177-Q182 HydrophobicContact CG-CB 4.45Å; K180-Q182 VanDerWaalsContact C-N 3.32Å; Q182-G186 VanDerWaalsContact NE2-CA 3.33Å; Q182-G186 PolarHBondContact NE2-O 3.21Å; Q182-H187 CarbonylContact C-O 3.3Å; Q182-H187 VanDerWaalsContact CA-O 3.3Å; Q182-H187 WeakPolarHBondContact CA-O 3.35Å; Q182-H187 WeakPolarHBondContact CG-O 3.23Å; Q182-F188 HydrophobicContact CB-CD1 4.11Å; Q182-F188 HydrophobicContact CG-CD1 4.01Å; Q182-F188 HydrophobicContact CG-CE1 4.27Å |
| 183 | C | 88.4 | Confident | 86.2 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | trans | -82.6 | 160.7 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | L177 D185 G186 H187 | L177-C183 WeakPolarHBondContact CD2-O 3.22Å; C183-D185 WeakPolarHBondContact CB-OD1 3.49Å; C183-D185 PolarHBondContact O-N 3.13Å; C183-D185 VanDerWaalsContact O-N 3.09Å; C183-G186 PolarHBondContact O-N 2.77Å; C183-H187 PolarHBondContact N-O 3.18Å | ||
| 184 | E | 88.7 | Confident | 85.9 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.2 | -179.3 | -66.1 | -165.6 | 176.6 | 0 | 0 | 114.2 | R172 G186 | R172-E184 WeakPolarHBondContact CD-O 3.49Å; R172-E184 PolarHBondContact NE-O 2.99Å; R172-E184 VanDerWaalsContact NE-O 3.16Å; E184-G186 VanDerWaalsContact C-N 3.27Å |
| 185 | D | 88.5 | Confident | 85.7 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.1 | 175.7 | 64 | 0.5 | 0 | 0 | 0 | 113.6 | R170 C183 H187 | R170-D185 VanDerWaalsContact CD-O 3.22Å; R170-D185 WeakPolarHBondContact CD-O 3.44Å; C183-D185 WeakPolarHBondContact CB-OD1 3.49Å; C183-D185 PolarHBondContact O-N 3.13Å; C183-D185 VanDerWaalsContact O-N 3.09Å; D185-H187 WeakPolarHBondContact OD1-CB 3.32Å; D185-H187 IonicContact OD1-CD2 2.85Å; D185-H187 IonicContact OD1-CG 2.63Å; D185-H187 PolarHBondContact OD1-N 2.67Å; D185-H187 IonicContact OD2-CD2 2.78Å; D185-H187 PolarHBondContact OD2-CD2 2.8Å |
| 186 | G | 86.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 87.6 | 0.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q182 C183 E184 | Q182-G186 VanDerWaalsContact NE2-CA 3.33Å; Q182-G186 PolarHBondContact NE2-O 3.21Å; C183-G186 PolarHBondContact O-N 2.77Å; E184-G186 VanDerWaalsContact C-N 3.27Å |
| 187 | H | 90.9 | Very high | 85.2 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 147.9 | 172 | -78.6 | -79.6 | 0 | 0 | 0 | 111.5 | R170 Q182 C183 D185 | R170-H187 PolarHBondContact NH1-NE2 3.43Å; Q182-H187 CarbonylContact C-O 3.3Å; Q182-H187 VanDerWaalsContact CA-O 3.3Å; Q182-H187 WeakPolarHBondContact CA-O 3.35Å; Q182-H187 WeakPolarHBondContact CG-O 3.23Å; C183-H187 PolarHBondContact N-O 3.18Å; D185-H187 WeakPolarHBondContact OD1-CB 3.32Å; D185-H187 IonicContact OD1-CD2 2.85Å; D185-H187 IonicContact OD1-CG 2.63Å; D185-H187 PolarHBondContact OD1-N 2.67Å; D185-H187 IonicContact OD2-CD2 2.78Å; D185-H187 PolarHBondContact OD2-CD2 2.8Å |
| 188 | F | 92.7 | Very high | 84.4 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 141.8 | 172.8 | -61.1 | -48 | 0 | 0 | 0 | 111.3 | M96 K99 Y100 Q103 L176 L181 Q182 V190 | M96-F188 HydrophobicContact CE-CE1 3.69Å; M96-F188 HydrophobicContact CE-CE2 4.07Å; M96-F188 HydrophobicContact CE-CZ 3.26Å; M96-F188 WeakPolarHBondContact O-CZ 3.18Å; M96-F188 HydrophobicContact SD-CZ 4.47Å; K99-F188 HydrophobicContact CB-CE2 4.29Å; K99-F188 HydrophobicContact CD-CE2 3.83Å; K99-F188 HydrophobicContact CD-CZ 4.4Å; K99-F188 HydrophobicContact CG-CE2 3.87Å; Y100-F188 AromaticContact CD2-CD1 3.95Å; Y100-F188 HydrophobicContact CD2-CD1 3.95Å; Y100-F188 HydrophobicContact CD2-CD2 4.46Å; Y100-F188 HydrophobicContact CD2-CE1 4.25Å; Y100-F188 HydrophobicContact CD2-CG 4.08Å; Q103-F188 VanDerWaalsContact OE1-CD2 3.29Å; L176-F188 HydrophobicContact CD1-CD1 4.42Å; L176-F188 HydrophobicContact CD1-CE1 3.61Å; L176-F188 HydrophobicContact CD1-CZ 4.34Å; L181-F188 WeakPolarHBondContact O-CA 3.5Å; Q182-F188 HydrophobicContact CB-CD1 4.11Å; Q182-F188 HydrophobicContact CG-CD1 4.01Å; Q182-F188 HydrophobicContact CG-CE1 4.27Å; F188-V190 PolarHBondContact O-N 2.78Å |
| 189 | T | 87.3 | Confident | 84 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 125.9 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 109 | K180 L181 P191 | K180-T189 WeakPolarHBondContact O-CB 3.06Å; K180-T189 PolarHBondContact O-OG1 3.36Å; L181-T189 PolarHBondContact O-N 2.64Å; T189-P191 WeakPolarHBondContact O-CD 3.43Å |
| 190 | V | 84.1 | Confident | 84 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 70% | 0.697 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 121 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | F188 L192 | F188-V190 PolarHBondContact O-N 2.78Å; V190-L192 PolarHBondContact O-N 2.85Å |
| 191 | P | 81.3 | Confident | 83.9 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 127.8 | 177.4 | 25.2 | -32.4 | 0 | 0 | 0 | 110 | T189 K193 V194 | T189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-K193 VanDerWaalsContact C-N 3.3Å; P191-V194 HydrophobicContact CB-CG2 4.41Å; P191-V194 HydrophobicContact CG-CG2 4.12Å; P191-V194 WeakPolarHBondContact O-CG2 3.49Å |
| 192 | L | 81.1 | Confident | 83.7 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -79.7 | -15.3 | 175.3 | -65.7 | 178.8 | 0 | 0 | 0 | 112.4 | V190 V224 G225 V226 | V190-L192 PolarHBondContact O-N 2.85Å; L192-V224 HydrophobicContact CD2-CG1 4.44Å; L192-G225 CarbonylContact O-C 3.21Å; L192-G225 WeakPolarHBondContact O-CA 3.38Å; L192-V226 PolarHBondContact O-N 3.46Å |
| 193 | K | 79.5 | Confident | 83.6 | Confident | 147 Ų | 147 | 72.5 Ų | 72.5 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113 | 172.4 | -173.6 | -177.1 | 178.9 | -171.3 | 0 | 108 | P191 V226 I228 | P191-K193 VanDerWaalsContact C-N 3.3Å; K193-V226 CarbonylContact C-O 3.51Å; K193-V226 WeakPolarHBondContact CA-O 3.37Å; K193-V226 HydrophobicContact CB-CB 4.5Å; K193-V226 HydrophobicContact CG-CB 4.35Å; K193-V226 HydrophobicContact CG-CG1 4.42Å; K193-I228 VanDerWaalsContact CE-CD1 3.41Å; K193-I228 HydrophobicContact CG-CD1 4.35Å |
| 194 | V | 80.7 | Confident | 83.6 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.261 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.4 | -174.5 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | P191 V226 Y227 I228 | P191-V194 HydrophobicContact CB-CG2 4.41Å; P191-V194 HydrophobicContact CG-CG2 4.12Å; P191-V194 WeakPolarHBondContact O-CG2 3.49Å; V194-V226 PolarHBondContact N-O 3.01Å; V194-Y227 HydrophobicContact CB-CD1 4.25Å; V194-Y227 HydrophobicContact CB-CE1 4.39Å; V194-Y227 VanDerWaalsContact O-CA 3.31Å; V194-Y227 WeakPolarHBondContact O-CA 3.4Å; V194-I228 PolarHBondContact O-N 3.27Å |
| 195 | E | 80.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.3 | 167.7 | -61.3 | -177.8 | 170.8 | 0 | 0 | 108.9 | I106 I228 K230 | I106-E195 HydrophobicContact CD1-CB 3.91Å; I106-E195 WeakPolarHBondContact CG2-O 3.42Å; E195-I228 CarbonylContact C-O 3.55Å; E195-I228 WeakPolarHBondContact CA-O 3.11Å; E195-I228 HydrophobicContact CG-CB 4.35Å; E195-K230 WeakPolarHBondContact OE2-CE 3.45Å; E195-K230 IonicContact OE2-NZ 3.35Å; E195-K230 PolarHBondContact OE2-NZ 3.1Å |
| 196 | L | 80.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144.8 | 177 | -66.7 | 175.3 | 0 | 0 | 0 | 110.1 | M200 K202 Y227 I228 E229 K230 | L196-M200 HydrophobicContact CB-CB 4.43Å; L196-K202 HydrophobicContact CD1-CB 4.32Å; L196-Y227 HydrophobicContact CD1-CD1 4.32Å; L196-Y227 HydrophobicContact CD1-CG 4.36Å; L196-Y227 HydrophobicContact CD2-CD1 3.86Å; L196-Y227 HydrophobicContact CG-CD1 4.16Å; L196-I228 PolarHBondContact N-O 3.14Å; L196-E229 HydrophobicContact CD1-CG 4.09Å; L196-K230 PolarHBondContact O-N 3.5Å |
| 197 | P | 78.1 | Confident | 84.1 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 154.1 | 164.6 | -21.7 | 31.9 | 0 | 0 | 0 | 111.6 | I106 D199 M200 | I106-P197 HydrophobicContact CG2-CG 3.78Å; P197-D199 VanDerWaalsContact CB-OD1 3.25Å; P197-D199 WeakPolarHBondContact CB-OD1 3.39Å; P197-D199 PolarHBondContact O-N 2.63Å; P197-M200 HydrophobicContact CB-CB 4.22Å; P197-M200 HydrophobicContact CB-CG 3.78Å; P197-M200 HydrophobicContact CG-CB 4.32Å; P197-M200 HydrophobicContact CG-CG 3.78Å; P197-M200 PolarHBondContact O-N 2.96Å; P197-M200 VanDerWaalsContact O-N 3.08Å |
| 198 | S | 73.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.1 | -174.8 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | K230 E233 | S198-K230 WeakPolarHBondContact CA-O 3.46Å; S198-K230 WeakPolarHBondContact CB-O 3.46Å; S198-E233 WeakPolarHBondContact OG-CG 3.42Å |
| 199 | D | 76.8 | Confident | 84.4 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 59% | 0.588 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.7 | 177.4 | 63.6 | -33.3 | 0 | 0 | 0 | 113.5 | P197 | P197-D199 VanDerWaalsContact CB-OD1 3.25Å; P197-D199 WeakPolarHBondContact CB-OD1 3.39Å; P197-D199 PolarHBondContact O-N 2.63Å |
| 200 | M | 82 | Confident | 84.6 | Confident | 91 Ų | 91 | 75 Ų | 75 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -108 | 130.7 | -173.4 | -68.1 | -71.7 | -102 | 0 | 0 | 112.2 | L196 P197 | L196-M200 HydrophobicContact CB-CB 4.43Å; P197-M200 HydrophobicContact CB-CB 4.22Å; P197-M200 HydrophobicContact CB-CG 3.78Å; P197-M200 HydrophobicContact CG-CB 4.32Å; P197-M200 HydrophobicContact CG-CG 3.78Å; P197-M200 PolarHBondContact O-N 2.96Å; P197-M200 VanDerWaalsContact O-N 3.08Å | ||
| 201 | S | 82.9 | Confident | 84.9 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 56% | 0.559 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 147.4 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 202 | K | 84.1 | Confident | 85.3 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -50 | 130.2 | 169.7 | -176.3 | 170.6 | -178 | 174.6 | 0 | 112.6 | L196 Y227 E229 | L196-K202 HydrophobicContact CD1-CB 4.32Å; K202-Y227 HydrophobicContact CG-CD2 4.26Å; K202-Y227 HydrophobicContact CG-CG 4.4Å; K202-E229 WeakPolarHBondContact CB-OE1 3.3Å; K202-E229 PolarHBondContact N-OE1 3.05Å; K202-E229 VanDerWaalsContact N-OE1 3.15Å |
| 203 | P | 86.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 149.9 | 175.7 | 26.3 | -34.2 | 0 | 0 | 0 | 110.8 | A223 Y227 | P203-A223 HydrophobicContact CG-CB 4.19Å; P203-Y227 HydrophobicContact CG-CD1 3.85Å; P203-Y227 HydrophobicContact CG-CD2 3.68Å; P203-Y227 HydrophobicContact CG-CE1 3.54Å; P203-Y227 HydrophobicContact CG-CE2 3.37Å; P203-Y227 HydrophobicContact CG-CG 3.91Å |
| 204 | G | 88.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 126.5 | -24.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q220 F221 | G204-Q220 CarbonylContact O-C 3.47Å; G204-Q220 WeakPolarHBondContact O-CA 3.47Å; G204-F221 VanDerWaalsContact CA-CE1 3.47Å; G204-F221 WeakPolarHBondContact CA-O 3.43Å; G204-F221 WeakPolarHBondContact O-CD1 3.39Å; G204-F221 PolarHBondContact O-N 3.45Å |
| 205 | A | 89.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 206 | I | 92.1 | Very high | 87.3 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.1 | 174.3 | -54.4 | 172.3 | 0 | 0 | 0 | 107.1 | F208 Q218 R219 F221 | I206-F208 HydrophobicContact CB-CE2 4.36Å; I206-F208 HydrophobicContact CG2-CD2 4.32Å; I206-F208 HydrophobicContact CG2-CE1 4.48Å; I206-F208 HydrophobicContact CG2-CE2 3.59Å; I206-F208 HydrophobicContact CG2-CZ 3.69Å; I206-Q218 CarbonylContact O-C 3.57Å; I206-Q218 VanDerWaalsContact O-CA 3.27Å; I206-Q218 WeakPolarHBondContact O-CA 3.44Å; I206-R219 HydrophobicContact CB-CB 4.27Å; I206-R219 PolarHBondContact N-O 3.41Å; I206-R219 PolarHBondContact O-N 2.95Å; I206-F221 HydrophobicContact CD1-CD1 4.08Å; I206-F221 HydrophobicContact CG1-CD1 4.2Å; I206-F221 HydrophobicContact CG1-CE1 4.43Å |
| 207 | R | 93.1 | Very high | 87.8 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 46% | 0.457 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.9 | -179.9 | -66.3 | -179.1 | -173.6 | 127.7 | -0.5 | 109.7 | Y209 L215 Q218 | R207-Y209 HydrophobicContact CB-CD2 4.49Å; R207-Y209 HydrophobicContact CB-CE2 3.69Å; R207-L215 HydrophobicContact CB-CD1 3.68Å; R207-L215 HydrophobicContact CG-CD1 4.02Å; R207-Q218 HydrophobicContact CG-CG 4.26Å |
| 208 | F | 94.6 | Very high | 88.5 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 39% | 0.386 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.6 | 174.8 | -62.1 | -91.7 | 0 | 0 | 0 | 108.7 | I206 A216 S217 R219 | I206-F208 HydrophobicContact CB-CE2 4.36Å; I206-F208 HydrophobicContact CG2-CD2 4.32Å; I206-F208 HydrophobicContact CG2-CE1 4.48Å; I206-F208 HydrophobicContact CG2-CE2 3.59Å; I206-F208 HydrophobicContact CG2-CZ 3.69Å; F208-A216 WeakPolarHBondContact O-CB 3.35Å; F208-A216 PolarHBondContact O-N 3.31Å; F208-S217 WeakPolarHBondContact CB-OG 3.44Å; F208-S217 WeakPolarHBondContact CD2-OG 3.28Å; F208-S217 PolarHBondContact N-O 3.46Å; F208-S217 PolarHBondContact O-N 3Å; F208-R219 HydrophobicContact CE2-CB 4.28Å; F208-R219 HydrophobicContact CE2-CG 3.88Å |
| 209 | Y | 94.7 | Very high | 89.4 | Confident | 140 Ų | 140 | 88.1 Ų | 88.1 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.8 | 179.2 | -63.9 | -92.2 | 0 | 0 | 0 | 109.6 | R207 G213 K214 L215 | R207-Y209 HydrophobicContact CB-CD2 4.49Å; R207-Y209 HydrophobicContact CB-CE2 3.69Å; Y209-G213 WeakPolarHBondContact CD1-O 3.39Å; Y209-K214 CarbonylContact C-O 3.51Å; Y209-K214 WeakPolarHBondContact CA-O 3.2Å; Y209-L215 HydrophobicContact CD1-CD1 4.48Å; Y209-L215 HydrophobicContact CE1-CB 4.5Å; Y209-L215 HydrophobicContact CE1-CD1 4.16Å |
| 210 | A | 92.3 | Very high | 90.1 | Very high | 50 Ų | 50 | 89.4 Ų | 89.4 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | trans | -80.2 | 171.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G212 G213 K214 A216 | A210-G212 PolarHBondContact O-N 3.31Å; A210-G213 PolarHBondContact O-N 3.15Å; A210-G213 VanDerWaalsContact O-N 3.09Å; A210-K214 PolarHBondContact N-O 3.47Å; A210-A216 HydrophobicContact CB-CB 3.85Å | ||
| 211 | S | 89.3 | Confident | 90.5 | Very high | 132 Ų | 132 | 90.7 Ų | 90.7 | 92% | 0.923 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 129.7 | 169.5 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 212 | G | 90.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 96.5 Ų | 96.5 | 75% | 0.753 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | 9.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A210 K214 | A210-G212 PolarHBondContact O-N 3.31Å; G212-K214 PolarHBondContact O-N 2.98Å |
| 213 | G | 90.6 | Very high | 90.5 | Very high | 58 Ų | 58 | 92.8 Ų | 92.8 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 74.9 | 8.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y209 A210 | Y209-G213 WeakPolarHBondContact CD1-O 3.39Å; A210-G213 PolarHBondContact O-N 3.15Å; A210-G213 VanDerWaalsContact O-N 3.09Å |
| 214 | K | 90.9 | Very high | 90.3 | Very high | 162 Ų | 162 | 96.9 Ų | 96.9 | 70% | 0.704 | 53% | 0.526 | S | S | * | . | trans | -78 | 137 | 175.5 | -66.2 | -175.6 | 179.7 | 179.7 | 0 | 110.2 | Y209 A210 G212 A216 | Y209-K214 CarbonylContact C-O 3.51Å; Y209-K214 WeakPolarHBondContact CA-O 3.2Å; A210-K214 PolarHBondContact N-O 3.47Å; G212-K214 PolarHBondContact O-N 2.98Å; K214-A216 PolarHBondContact O-N 2.94Å; K214-A216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | L | 90.7 | Very high | 89.9 | Confident | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 114.8 | 174.7 | -174.3 | 71 | 0 | 0 | 0 | 109.3 | R207 Y209 | R207-L215 HydrophobicContact CB-CD1 3.68Å; R207-L215 HydrophobicContact CG-CD1 4.02Å; Y209-L215 HydrophobicContact CD1-CD1 4.48Å; Y209-L215 HydrophobicContact CE1-CB 4.5Å; Y209-L215 HydrophobicContact CE1-CD1 4.16Å |
| 216 | A | 91.3 | Very high | 89.5 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -42.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F208 A210 K214 | F208-A216 WeakPolarHBondContact O-CB 3.35Å; F208-A216 PolarHBondContact O-N 3.31Å; A210-A216 HydrophobicContact CB-CB 3.85Å; K214-A216 PolarHBondContact O-N 2.94Å; K214-A216 VanDerWaalsContact O-N 3.13Å |
| 217 | S | 92.5 | Very high | 89.1 | Confident | 58 Ų | 58 | 99.1 Ų | 99.1 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 163.4 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | F208 | F208-S217 WeakPolarHBondContact CB-OG 3.44Å; F208-S217 WeakPolarHBondContact CD2-OG 3.28Å; F208-S217 PolarHBondContact N-O 3.46Å; F208-S217 PolarHBondContact O-N 3Å |
| 218 | Q | 92.7 | Very high | 88.4 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.9 | 173.5 | -177.2 | 174.3 | -54.8 | 0 | 0 | 109.1 | I206 R207 | I206-Q218 CarbonylContact O-C 3.57Å; I206-Q218 VanDerWaalsContact O-CA 3.27Å; I206-Q218 WeakPolarHBondContact O-CA 3.44Å; R207-Q218 HydrophobicContact CG-CG 4.26Å |
| 219 | R | 92 | Very high | 87.3 | Confident | 168 Ų | 168 | 97.6 Ų | 97.6 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 163.1 | 168.6 | -64.8 | -176.8 | -176.9 | -176 | -0 | 109.1 | I206 F208 | I206-R219 HydrophobicContact CB-CB 4.27Å; I206-R219 PolarHBondContact N-O 3.41Å; I206-R219 PolarHBondContact O-N 2.95Å; F208-R219 HydrophobicContact CE2-CB 4.28Å; F208-R219 HydrophobicContact CE2-CG 3.88Å |
| 220 | Q | 91.8 | Very high | 86 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.7 | 174.8 | -167.2 | 171.5 | 23.5 | 0 | 0 | 110.4 | G204 | G204-Q220 CarbonylContact O-C 3.47Å; G204-Q220 WeakPolarHBondContact O-CA 3.47Å |
| 221 | F | 90.1 | Very high | 84.1 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | trans | -113.7 | 152 | 165.6 | 69.3 | -91.5 | 0 | 0 | 0 | 110.3 | G204 I206 A223 | G204-F221 VanDerWaalsContact CA-CE1 3.47Å; G204-F221 WeakPolarHBondContact CA-O 3.43Å; G204-F221 WeakPolarHBondContact O-CD1 3.39Å; G204-F221 PolarHBondContact O-N 3.45Å; I206-F221 HydrophobicContact CD1-CD1 4.08Å; I206-F221 HydrophobicContact CG1-CD1 4.2Å; I206-F221 HydrophobicContact CG1-CE1 4.43Å; F221-A223 HydrophobicContact CE2-CB 4.39Å; F221-A223 PolarHBondContact O-N 3.41Å | ||
| 222 | K | 84.6 | Confident | 82.7 | Confident | 203 Ų | 203 | 94.4 Ų | 94.4 | 88% | 0.883 | 52% | 0.516 | S | S | * | . | trans | -74.5 | 106.7 | 175 | -173.9 | 177.9 | 179.8 | -178.6 | 0 | 108.6 | ||||
| 223 | A | 82.5 | Confident | 81.1 | Confident | 13 Ų | 13 | 93.8 Ų | 93.8 | 11% | 0.107 | 49% | 0.494 | C | S | . | . | trans | -64 | 141.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P203 F221 G225 Y227 | P203-A223 HydrophobicContact CG-CB 4.19Å; F221-A223 HydrophobicContact CE2-CB 4.39Å; F221-A223 PolarHBondContact O-N 3.41Å; A223-G225 VanDerWaalsContact C-N 3.28Å; A223-G225 PolarHBondContact O-N 3.15Å; A223-Y227 HydrophobicContact CB-CD2 4.24Å; A223-Y227 HydrophobicContact CB-CE2 3.58Å | ||
| 224 | V | 81.6 | Confident | 79.5 | Confident | 133 Ų | 133 | 95.6 Ų | 95.6 | 81% | 0.806 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -66.2 | -33.1 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | L192 | L192-V224 HydrophobicContact CD2-CG1 4.44Š|
| 225 | G | 80.1 | Confident | 77.9 | Confident | 9 Ų | 9 | 89.8 Ų | 89.8 | 9% | 0.093 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -79.2 | 156.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L192 A223 Y227 | L192-G225 CarbonylContact O-C 3.21Å; L192-G225 WeakPolarHBondContact O-CA 3.38Å; A223-G225 VanDerWaalsContact C-N 3.28Å; A223-G225 PolarHBondContact O-N 3.15Å; G225-Y227 WeakPolarHBondContact O-CD2 3.3Å; G225-Y227 VanDerWaalsContact O-CE2 3.31Å; G225-Y227 WeakPolarHBondContact O-CE2 3.35Å |
| 226 | V | 82.1 | Confident | 76.2 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.2 | 166.3 | -178 | 0 | 0 | 0 | 0 | 107.9 | L192 K193 V194 | L192-V226 PolarHBondContact O-N 3.46Å; K193-V226 CarbonylContact C-O 3.51Å; K193-V226 WeakPolarHBondContact CA-O 3.37Å; K193-V226 HydrophobicContact CB-CB 4.5Å; K193-V226 HydrophobicContact CG-CB 4.35Å; K193-V226 HydrophobicContact CG-CG1 4.42Å; V194-V226 PolarHBondContact N-O 3.01Å |
| 227 | Y | 82.2 | Confident | 74.3 | Confident | 68 Ų | 68 | 90 Ų | 90 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.3 | 179.2 | -59.8 | -86.1 | 0 | 0 | 0 | 110.2 | V194 L196 K202 P203 A223 G225 | V194-Y227 HydrophobicContact CB-CD1 4.25Å; V194-Y227 HydrophobicContact CB-CE1 4.39Å; V194-Y227 VanDerWaalsContact O-CA 3.31Å; V194-Y227 WeakPolarHBondContact O-CA 3.4Å; L196-Y227 HydrophobicContact CD1-CD1 4.32Å; L196-Y227 HydrophobicContact CD1-CG 4.36Å; L196-Y227 HydrophobicContact CD2-CD1 3.86Å; L196-Y227 HydrophobicContact CG-CD1 4.16Å; K202-Y227 HydrophobicContact CG-CD2 4.26Å; K202-Y227 HydrophobicContact CG-CG 4.4Å; P203-Y227 HydrophobicContact CG-CD1 3.85Å; P203-Y227 HydrophobicContact CG-CD2 3.68Å; P203-Y227 HydrophobicContact CG-CE1 3.54Å; P203-Y227 HydrophobicContact CG-CE2 3.37Å; P203-Y227 HydrophobicContact CG-CG 3.91Å; A223-Y227 HydrophobicContact CB-CD2 4.24Å; A223-Y227 HydrophobicContact CB-CE2 3.58Å; G225-Y227 WeakPolarHBondContact O-CD2 3.3Å; G225-Y227 VanDerWaalsContact O-CE2 3.31Å; G225-Y227 WeakPolarHBondContact O-CE2 3.35Å |
| 228 | I | 79 | Confident | 72.5 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 31% | 0.313 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.8 | 178.6 | -59.2 | 171.1 | 0 | 0 | 0 | 107.6 | K193 V194 E195 L196 | K193-I228 VanDerWaalsContact CE-CD1 3.41Å; K193-I228 HydrophobicContact CG-CD1 4.35Å; V194-I228 PolarHBondContact O-N 3.27Å; E195-I228 CarbonylContact C-O 3.55Å; E195-I228 WeakPolarHBondContact CA-O 3.11Å; E195-I228 HydrophobicContact CG-CB 4.35Å; L196-I228 PolarHBondContact N-O 3.14Å |
| 229 | E | 71.2 | Confident | 70.4 | Confident | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.5 | 175.1 | -67.1 | 176 | 176.1 | 0 | 0 | 109.2 | L196 K202 | L196-E229 HydrophobicContact CD1-CG 4.09Å; K202-E229 WeakPolarHBondContact CB-OE1 3.3Å; K202-E229 PolarHBondContact N-OE1 3.05Å; K202-E229 VanDerWaalsContact N-OE1 3.15Å |
| 230 | K | 67.4 | Low | 68.5 | Low | 68 Ų | 68 | 85.3 Ų | 85.3 | 30% | 0.296 | 45% | 0.451 | S | S | . | . | trans | -86.4 | 143.7 | 170.6 | -85.3 | -172.2 | 168.2 | 165.6 | 0 | 110.5 | E195 L196 S198 | E195-K230 WeakPolarHBondContact OE2-CE 3.45Å; E195-K230 IonicContact OE2-NZ 3.35Å; E195-K230 PolarHBondContact OE2-NZ 3.1Å; L196-K230 PolarHBondContact O-N 3.5Å; S198-K230 WeakPolarHBondContact CA-O 3.46Å; S198-K230 WeakPolarHBondContact CB-O 3.46Å | ||
| 231 | T | 54 | Low | 66.9 | Low | 146 Ų | 146 | 82.8 Ų | 82.8 | 90% | 0.896 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -87.4 | -19.4 | 179.9 | -33.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 232 | A | 58.5 | Low | 65.4 | Low | 41 Ų | 41 | 82.1 Ų | 82.1 | 34% | 0.339 | 45% | 0.445 | S | S | . | . | trans | -145.6 | 149.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D234 | A232-D234 VanDerWaalsContact C-N 3.27Å; A232-D234 VanDerWaalsContact CB-OD1 3.25Å; A232-D234 WeakPolarHBondContact CB-OD1 3.47Å; A232-D234 PolarHBondContact O-N 3.36Å | ||
| 233 | E | 57.7 | Low | 64.5 | Low | 59 Ų | 59 | 75.4 Ų | 75.4 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | trans | -87.6 | 52.8 | 168.8 | -69.3 | -159.6 | 133.6 | 0 | 0 | 110.7 | R109 S198 I235 L236 | R109-E233 WeakPolarHBondContact CD-OE2 3.05Å; R109-E233 IonicContact CZ-OE2 3.9Å; R109-E233 IonicContact NE-OE2 2.99Å; R109-E233 IonicContact NH1-OE1 3.6Å; R109-E233 IonicContact NH1-OE2 3.73Å; R109-E233 PolarHBondContact NH1-OE2 2.81Å; S198-E233 WeakPolarHBondContact OG-CG 3.42Å; E233-I235 PolarHBondContact O-N 3.29Å; E233-L236 PolarHBondContact O-N 3.34Å | ||
| 234 | D | 55.9 | Low | 64 | Low | 97 Ų | 97 | 80 Ų | 80 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -64.4 | -5.4 | -177.6 | -63.4 | -22 | 0 | 0 | 0 | 113.6 | A232 L236 D237 F238 | A232-D234 VanDerWaalsContact C-N 3.27Å; A232-D234 VanDerWaalsContact CB-OD1 3.25Å; A232-D234 WeakPolarHBondContact CB-OD1 3.47Å; A232-D234 PolarHBondContact O-N 3.36Å; D234-L236 PolarHBondContact O-N 3.34Å; D234-D237 PolarHBondContact O-N 3.46Å; D234-F238 WeakPolarHBondContact O-CD2 3.38Å |
| 235 | I | 58.2 | Low | 63.7 | Low | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -67.2 | -23.8 | -175.9 | -44.5 | -177.5 | 0 | 0 | 0 | 111.4 | V113 E233 R245 | V113-I235 HydrophobicContact CB-CG2 4Å; V113-I235 HydrophobicContact CG1-CG2 3.62Å; V113-I235 HydrophobicContact CG2-CB 4.39Å; V113-I235 HydrophobicContact CG2-CG2 3.42Å; V113-I235 VanDerWaalsContact CG2-CG2 3.42Å; E233-I235 PolarHBondContact O-N 3.29Å; I235-R245 WeakPolarHBondContact CG2-O 3.31Å |
| 236 | L | 55 | Low | 63.4 | Low | 43 Ų | 43 | 76.2 Ų | 76.2 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -93.9 | -17.1 | -178.1 | -69.5 | -176.7 | 0 | 0 | 0 | 115.1 | R109 V113 F148 E233 D234 F238 | R109-L236 HydrophobicContact CB-CD1 4.21Å; R109-L236 HydrophobicContact CB-CD2 4.42Å; R109-L236 HydrophobicContact CG-CD1 3.88Å; V113-L236 HydrophobicContact CG2-CD2 4.07Å; F148-L236 HydrophobicContact CE1-CD2 3.9Å; F148-L236 HydrophobicContact CZ-CD2 4.39Å; E233-L236 PolarHBondContact O-N 3.34Å; D234-L236 PolarHBondContact O-N 3.34Å; L236-F238 PolarHBondContact O-N 2.98Å |
| 237 | D | 52.3 | Low | 63.3 | Low | 120 Ų | 120 | 72.9 Ų | 72.9 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -82.6 | 4.6 | -169 | -78.4 | -16.1 | 0 | 0 | 0 | 114.5 | D234 P239 | D234-D237 PolarHBondContact O-N 3.46Å; D237-P239 VanDerWaalsContact C-CD 3.44Å; D237-P239 WeakPolarHBondContact O-CD 3.44Å |
| 238 | F | 53.1 | Low | 63.4 | Low | 104 Ų | 104 | 75.2 Ų | 75.2 | 46% | 0.456 | 42% | 0.423 | S | S | . | . | trans | -116 | 82.6 | -180 | -60.1 | -70.1 | 0 | 0 | 0 | 112.4 | D234 L236 A240 I243 | D234-F238 WeakPolarHBondContact O-CD2 3.38Å; L236-F238 PolarHBondContact O-N 2.98Å; F238-A240 PolarHBondContact O-N 3.29Å; F238-I243 HydrophobicContact CB-CB 4.41Å; F238-I243 HydrophobicContact CB-CD1 3.89Å; F238-I243 HydrophobicContact CB-CG2 4.03Å; F238-I243 HydrophobicContact CD1-CD1 4.21Å; F238-I243 HydrophobicContact CG-CD1 4.41Å; F238-I243 HydrophobicContact CG-CG2 4.28Å | ||
| 239 | P | 48.7 | Very low | 63.8 | Low | 78 Ų | 78 | 73.7 Ų | 73.7 | 51% | 0.506 | 42% | 0.415 | S | S | . | . | trans | -77.8 | -0.2 | 176.2 | 29.8 | -34.1 | 0 | 0 | 0 | 114.4 | D237 Q241 | D237-P239 VanDerWaalsContact C-CD 3.44Å; D237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-Q241 PolarHBondContact O-N 2.87Å | ||
| 240 | A | 51.7 | Low | 64.7 | Low | 48 Ų | 48 | 68.1 Ų | 68.1 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -69.9 | 139 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F238 T242 I243 | F238-A240 PolarHBondContact O-N 3.29Å; A240-T242 PolarHBondContact O-N 2.92Å; A240-I243 HydrophobicContact CB-CD1 3.27Å; A240-I243 HydrophobicContact CB-CG1 3.87Å |
| 241 | Q | 58.4 | Low | 65.8 | Low | 85 Ų | 85 | 67 Ų | 67 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -55.6 | 133.8 | 169 | -61.4 | 167 | -12.1 | 0 | 0 | 107.4 | R123 D137 P239 | R123-Q241 VanDerWaalsContact NH1-CB 3.3Å; D137-Q241 PolarHBondContact OD1-NE2 3.21Å; P239-Q241 PolarHBondContact O-N 2.87Å |
| 242 | T | 59.8 | Low | 67.4 | Low | 104 Ų | 104 | 60.9 Ų | 60.9 | 64% | 0.638 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 59.6 | 63.3 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 116.1 | D120 A240 | D120-T242 PolarHBondContact OD1-N 3.46Å; D120-T242 PolarHBondContact OD2-N 3.14Å; A240-T242 PolarHBondContact O-N 2.92Å |
| 243 | I | 64.7 | Low | 68.5 | Low | 62 Ų | 62 | 61.2 Ų | 61.2 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | trans | -118.9 | 145.8 | 164.8 | -66.2 | 177.2 | 0 | 0 | 0 | 109.6 | F238 A240 R245 | F238-I243 HydrophobicContact CB-CB 4.41Å; F238-I243 HydrophobicContact CB-CD1 3.89Å; F238-I243 HydrophobicContact CB-CG2 4.03Å; F238-I243 HydrophobicContact CD1-CD1 4.21Å; F238-I243 HydrophobicContact CG-CD1 4.41Å; F238-I243 HydrophobicContact CG-CG2 4.28Å; A240-I243 HydrophobicContact CB-CD1 3.27Å; A240-I243 HydrophobicContact CB-CG1 3.87Å; I243-R245 PolarHBondContact O-N 3.18Å; I243-R245 VanDerWaalsContact O-N 3.16Å | ||
| 244 | D | 71.7 | Confident | 69.5 | Low | 108 Ų | 108 | 58.9 Ų | 58.9 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | trans | -67.3 | 108.1 | 167.4 | -175.5 | 24.7 | 0 | 0 | 0 | 110.4 | G246 K251 | D244-G246 PolarHBondContact O-N 2.92Å; D244-G246 PolarHBondContact OD1-N 3.48Å; D244-K251 IonicContact OD1-NZ 3.72Å; D244-K251 PolarHBondContact OD1-NZ 2.89Å | ||
| 245 | R | 76.9 | Confident | 70.3 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | trans | -83 | 13.1 | -178.9 | -56.4 | -173.9 | -178.6 | 82.6 | 6.3 | 113 | V113 N117 D120 I235 I243 T247 | V113-R245 HydrophobicContact CG1-CB 3.64Å; V113-R245 HydrophobicContact CG1-CG 4.29Å; N117-R245 PolarHBondContact OD1-NH1 2.74Å; D120-R245 IonicContact OD2-CZ 2.95Å; D120-R245 IonicContact OD2-NH1 2.81Å; D120-R245 PolarHBondContact OD2-NH1 2.97Å; D120-R245 IonicContact OD2-NH2 3.69Å; D120-R245 PolarHBondContact OD2-NH2 3.46Å; I235-R245 WeakPolarHBondContact CG2-O 3.31Å; I243-R245 PolarHBondContact O-N 3.18Å; I243-R245 VanDerWaalsContact O-N 3.16Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.15Å | ||
| 246 | G | 73.6 | Confident | 70.4 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 71.3 | 21 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D244 | D244-G246 PolarHBondContact O-N 2.92Å; D244-G246 PolarHBondContact OD1-N 3.48Å |
| 247 | T | 79.8 | Confident | 70.3 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | trans | -145.4 | 141.9 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | H110 V113 R245 L249 K251 | H110-T247 PolarHBondContact CE1-OG1 3.18Å; H110-T247 WeakPolarHBondContact NE2-CB 3.46Å; H110-T247 WeakPolarHBondContact NE2-CG2 3.47Å; H110-T247 PolarHBondContact NE2-OG1 3.01Å; V113-T247 HydrophobicContact CG1-CG2 3.73Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.15Å; T247-L249 PolarHBondContact OG1-N 2.88Å; T247-K251 WeakPolarHBondContact O-CE 3.36Å; T247-K251 PolarHBondContact O-NZ 2.9Å | ||
| 248 | D | 83.9 | Confident | 70.1 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | trans | -91.3 | -6.9 | 175.7 | -62.2 | -32.9 | 0 | 0 | 0 | 112.7 | K251 | D248-K251 WeakPolarHBondContact O-CB 3.27Å; D248-K251 PolarHBondContact O-N 2.78Å; D248-K251 IonicContact OD1-NZ 3.79Å; D248-K251 PolarHBondContact OD1-NZ 2.87Å | ||
| 249 | L | 88 | Confident | 69.8 | Low | 28 Ų | 28 | 62.1 Ų | 62.1 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 134.5 | 175.5 | -59.9 | -178.4 | 0 | 0 | 0 | 110.4 | Y100 Q101 N104 I114 N117 T247 K251 | Y100-L249 HydrophobicContact CE1-CD2 4.2Å; Q101-L249 HydrophobicContact CG-CB 4.48Å; Q101-L249 HydrophobicContact CG-CD2 4.17Å; N104-L249 HydrophobicContact CB-CD1 4.2Å; I114-L249 HydrophobicContact CD1-CB 3.88Å; I114-L249 HydrophobicContact CD1-CD1 3.87Å; I114-L249 HydrophobicContact CG1-CB 3.67Å; I114-L249 HydrophobicContact CG1-CD1 4.49Å; N117-L249 PolarHBondContact ND2-O 3.48Å; T247-L249 PolarHBondContact OG1-N 2.88Å; L249-K251 PolarHBondContact O-N 3.23Å |
| 250 | G | 89.8 | Confident | 69.1 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 0.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y19 N117 H118 | Y19-G250 PolarHBondContact OH-O 3.23Å; N117-G250 CarbonylContact C-O 3.4Å; N117-G250 WeakPolarHBondContact CB-O 3.48Å; H118-G250 PolarHBondContact N-O 3.36Å |
| 251 | K | 89.7 | Confident | 68.4 | Low | 44 Ų | 44 | 66.7 Ų | 66.7 | 19% | 0.191 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -81.2 | 155.8 | 167.7 | -64.6 | -176.2 | -174.1 | 159.7 | 0 | 109.9 | D244 T247 D248 L249 I253 | D244-K251 IonicContact OD1-NZ 3.72Å; D244-K251 PolarHBondContact OD1-NZ 2.89Å; T247-K251 WeakPolarHBondContact O-CE 3.36Å; T247-K251 PolarHBondContact O-NZ 2.9Å; D248-K251 WeakPolarHBondContact O-CB 3.27Å; D248-K251 PolarHBondContact O-N 2.78Å; D248-K251 IonicContact OD1-NZ 3.79Å; D248-K251 PolarHBondContact OD1-NZ 2.87Å; L249-K251 PolarHBondContact O-N 3.23Å; K251-I253 PolarHBondContact O-N 3.3Å |
| 252 | N | 87.9 | Confident | 67.7 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | trans | -69.5 | 97.6 | 177.6 | -170.6 | -7.1 | 0 | 0 | 0 | 111.4 | Y19 Y254 D255 | Y19-N252 HydrophobicContact CD1-CB 3.82Å; Y19-N252 HydrophobicContact CD2-CB 4.07Å; Y19-N252 HydrophobicContact CE1-CB 3.74Å; Y19-N252 HydrophobicContact CE2-CB 3.97Å; Y19-N252 HydrophobicContact CG-CB 3.98Å; N252-Y254 PolarHBondContact O-N 2.61Å; N252-Y254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Y254 WeakPolarHBondContact OD1-CB 3.04Å; N252-Y254 WeakPolarHBondContact OD1-CD2 3.44Å; N252-Y254 PolarHBondContact OD1-N 3.25Å; N252-D255 HydrophobicContact CB-CB 4.34Å; N252-D255 PolarHBondContact O-N 3.44Å; N252-D255 PolarHBondContact OD1-N 3.46Å | ||
| 253 | I | 81.7 | Confident | 66.5 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.6 | 176.1 | 66.4 | 178.2 | 0 | 0 | 0 | 113.7 | M97 L175 K251 | M97-I253 HydrophobicContact CE-CD1 3.28Å; M97-I253 HydrophobicContact SD-CD1 4.22Å; L175-I253 HydrophobicContact CD2-CD1 3.44Å; L175-I253 VanDerWaalsContact CD2-CD1 3.44Å; L175-I253 HydrophobicContact CD2-CG1 4.21Å; K251-I253 PolarHBondContact O-N 3.3Å |
| 254 | Y | 79.6 | Confident | 65.4 | Low | 10 Ų | 10 | 63.7 Ų | 63.7 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.5 | -177.2 | -50.9 | -86.5 | 0 | 0 | 0 | 112.9 | Y19 I20 L175 N252 E256 L267 F268 | Y19-Y254 HydrophobicContact CD2-CD2 4.49Å; Y19-Y254 HydrophobicContact CG-CD2 4.42Å; I20-Y254 HydrophobicContact CG1-CE1 4.44Å; I20-Y254 HydrophobicContact CG1-CE2 4.09Å; L175-Y254 HydrophobicContact CD2-CE1 4.14Å; N252-Y254 PolarHBondContact O-N 2.61Å; N252-Y254 WeakPolarHBondContact OD1-CA 3.49Å; N252-Y254 WeakPolarHBondContact OD1-CB 3.04Å; N252-Y254 WeakPolarHBondContact OD1-CD2 3.44Å; N252-Y254 PolarHBondContact OD1-N 3.25Å; Y254-E256 PolarHBondContact O-N 2.82Å; Y254-L267 HydrophobicContact CD1-CD2 3.06Å; Y254-L267 HydrophobicContact CD1-CG 4.4Å; Y254-L267 HydrophobicContact CE1-CD2 3.2Å; Y254-L267 HydrophobicContact CE1-CG 4.18Å; Y254-L267 HydrophobicContact CG-CD2 4.32Å; Y254-F268 HydrophobicContact CE1-CE1 4.34Å; Y254-F268 HydrophobicContact CE1-CZ 4.16Å |
| 255 | D | 73 | Confident | 63.9 | Low | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | trans | -79.9 | 114.7 | 176.4 | -173.5 | 7.2 | 0 | 0 | 0 | 111 | N252 K257 Q258 A259 | N252-D255 HydrophobicContact CB-CB 4.34Å; N252-D255 PolarHBondContact O-N 3.44Å; N252-D255 PolarHBondContact OD1-N 3.46Å; D255-K257 PolarHBondContact O-N 3.38Å; D255-K257 PolarHBondContact OD1-N 3.27Å; D255-Q258 PolarHBondContact O-N 2.71Å; D255-A259 WeakPolarHBondContact O-CB 3.19Å; D255-A259 PolarHBondContact O-N 3.25Å | ||
| 256 | E | 60.1 | Low | 62.3 | Low | 124 Ų | 124 | 62.6 Ų | 62.6 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.5 | 179.4 | -66 | 180 | 164.6 | 0 | 0 | 112.9 | Y254 A259 | Y254-E256 PolarHBondContact O-N 2.82Å; E256-A259 CarbonylContact O-C 3.33Å; E256-A259 VanDerWaalsContact O-O 3.14Å |
| 257 | K | 53.1 | Low | 61.2 | Low | 183 Ų | 183 | 61 Ų | 61 | 80% | 0.796 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -28.7 | 179.9 | -66.9 | -179.2 | -177.6 | 173.5 | 0 | 113.3 | D255 | D255-K257 PolarHBondContact O-N 3.38Å; D255-K257 PolarHBondContact OD1-N 3.27Å |
| 258 | Q | 48 | Very low | 59.5 | Low | 127 Ų | 127 | 60.5 Ų | 60.5 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -35.5 | 175.7 | -63.5 | -174.3 | 11.5 | 0 | 0 | 110.9 | D255 G260 | D255-Q258 PolarHBondContact O-N 2.71Å; Q258-G260 PolarHBondContact O-N 3.48Å |
| 259 | A | 45.1 | Very low | 57.3 | Low | 13 Ų | 13 | 55.8 Ų | 55.8 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -88.5 | 76.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D255 E256 V261 R262 | D255-A259 WeakPolarHBondContact O-CB 3.19Å; D255-A259 PolarHBondContact O-N 3.25Å; E256-A259 CarbonylContact O-C 3.33Å; E256-A259 VanDerWaalsContact O-O 3.14Å; A259-V261 PolarHBondContact O-N 3.36Å; A259-R262 HydrophobicContact CB-CB 3.75Å; A259-R262 HydrophobicContact CB-CG 3.79Å; A259-R262 PolarHBondContact O-N 3.44Å; A259-R262 VanDerWaalsContact O-N 3.11Å |
| 260 | G | 35.5 | Very low | 54.8 | Low | 67 Ų | 67 | 57.6 Ų | 57.6 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | 107.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q258 | Q258-G260 PolarHBondContact O-N 3.48Š|
| 261 | V | 35.2 | Very low | 52 | Low | 154 Ų | 154 | 64.7 Ų | 64.7 | 93% | 0.933 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 49.1 | -179.7 | -156.3 | 0 | 0 | 0 | 0 | 115 | A259 | A259-V261 PolarHBondContact O-N 3.36Š|
| 262 | R | 43.8 | Very low | 49.4 | Very low | 110 Ų | 110 | 71.3 Ų | 71.3 | 42% | 0.415 | 37% | 0.369 | S | S | . | . | trans | -107.8 | 100 | 158.1 | -66.5 | -173.1 | 175.2 | 152.3 | -5.6 | 110.1 | E179 A259 G264 | E179-R262 IonicContact OE1-NE 2.69Å; E179-R262 IonicContact OE1-NH2 2.72Å; E179-R262 IonicContact OE2-CZ 3.71Å; E179-R262 IonicContact OE2-NE 3.1Å; E179-R262 IonicContact OE2-NH2 3.97Å; E179-R262 PolarHBondContact OE2-NH2 3.45Å; A259-R262 HydrophobicContact CB-CB 3.75Å; A259-R262 HydrophobicContact CB-CG 3.79Å; A259-R262 PolarHBondContact O-N 3.44Å; A259-R262 VanDerWaalsContact O-N 3.11Å; R262-G264 PolarHBondContact O-N 3.16Å | ||
| 263 | A | 36.3 | Very low | 47 | Very low | 69 Ų | 69 | 72.6 Ų | 72.6 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | trans | -57.8 | 106.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T265 | A263-T265 PolarHBondContact O-N 3.01Å; A263-T265 VanDerWaalsContact O-N 3.09Å | ||
| 264 | G | 40.6 | Very low | 45.2 | Very low | 9 Ų | 9 | 73.4 Ų | 73.4 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 10 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q23 R262 | Q23-G264 PolarHBondContact NE2-O 3.45Å; R262-G264 PolarHBondContact O-N 3.16Å |
| 265 | T | 41.3 | Very low | 43.6 | Very low | 74 Ų | 74 | 82.8 Ų | 82.8 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -34.3 | -175.9 | 48.2 | 0 | 0 | 0 | 0 | 114 | A263 | A263-T265 PolarHBondContact O-N 3.01Å; A263-T265 VanDerWaalsContact O-N 3.09Å |
| 266 | N | 43.1 | Very low | 42.6 | Very low | 20 Ų | 20 | 91.5 Ų | 91.5 | 11% | 0.107 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -95 | 1.4 | -171.8 | -70.6 | -24.5 | 0 | 0 | 0 | 115 | F268 S269 E282 | N266-F268 PolarHBondContact O-N 2.94Å; N266-S269 PolarHBondContact O-N 2.96Å; N266-S269 VanDerWaalsContact O-N 3.14Å; N266-E282 WeakPolarHBondContact ND2-CG 3.43Å |
| 267 | L | 49.8 | Very low | 42.3 | Very low | 21 Ų | 21 | 90.6 Ų | 90.6 | 11% | 0.11 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.8 | -174.3 | -149.8 | 64.3 | 0 | 0 | 0 | 114.3 | L175 Y254 | L175-L267 HydrophobicContact CB-CD1 3.65Å; L175-L267 HydrophobicContact CB-CG 4.01Å; L175-L267 HydrophobicContact CD1-CD1 3.3Å; L175-L267 HydrophobicContact CD1-CG 4.38Å; L175-L267 HydrophobicContact CD2-CD1 3.66Å; L175-L267 HydrophobicContact CD2-CD2 3.9Å; L175-L267 HydrophobicContact CD2-CG 3.85Å; L175-L267 HydrophobicContact CG-CD1 3.67Å; L175-L267 HydrophobicContact CG-CG 4.27Å; Y254-L267 HydrophobicContact CD1-CD2 3.06Å; Y254-L267 HydrophobicContact CD1-CG 4.4Å; Y254-L267 HydrophobicContact CE1-CD2 3.2Å; Y254-L267 HydrophobicContact CE1-CG 4.18Å; Y254-L267 HydrophobicContact CG-CD2 4.32Å |
| 268 | F | 43.5 | Very low | 42.1 | Very low | 10 Ų | 10 | 82.7 Ų | 82.7 | 4% | 0.044 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10.1 | -174.8 | -60.6 | -61.7 | 0 | 0 | 0 | 113.3 | I20 L93 Y254 N266 F270 F308 | I20-F268 HydrophobicContact CB-CZ 4.41Å; I20-F268 HydrophobicContact CG1-CE1 4.31Å; I20-F268 HydrophobicContact CG1-CZ 4.48Å; I20-F268 HydrophobicContact CG2-CE1 3.75Å; I20-F268 HydrophobicContact CG2-CZ 3.78Å; L93-F268 HydrophobicContact CD1-CD1 3.57Å; L93-F268 HydrophobicContact CD1-CE1 3.78Å; Y254-F268 HydrophobicContact CE1-CE1 4.34Å; Y254-F268 HydrophobicContact CE1-CZ 4.16Å; N266-F268 PolarHBondContact O-N 2.94Å; F268-F270 PolarHBondContact O-N 3.25Å; F268-F308 HydrophobicContact CB-CD1 3.98Å; F268-F308 HydrophobicContact CB-CE1 3.56Å; F268-F308 HydrophobicContact CB-CZ 4.37Å; F268-F308 HydrophobicContact CG-CE1 4.44Å; F268-F308 WeakPolarHBondContact O-CD1 3.38Å; F268-F308 WeakPolarHBondContact O-CE1 3.32Å |
| 269 | S | 38 | Very low | 42.4 | Very low | 18 Ų | 18 | 81.3 Ų | 81.3 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | trans | -71.3 | 101.7 | 176 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | C174 N266 K271 M273 | C174-S269 VanDerWaalsContact CB-O 3.27Å; C174-S269 WeakPolarHBondContact CB-O 3.28Å; N266-S269 PolarHBondContact O-N 2.96Å; N266-S269 VanDerWaalsContact O-N 3.14Å; S269-K271 PolarHBondContact O-N 2.93Å; S269-M273 WeakPolarHBondContact OG-CE 3.5Å; S269-M273 PolarHBondContact OG-SD 3.35Å; S269-M273 VanDerWaalsContact OG-SD 3.41Å | ||
| 270 | F | 36.3 | Very low | 43.3 | Very low | 65 Ų | 65 | 82.8 Ų | 82.8 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | trans | -81.2 | 80.8 | 166.3 | -77.4 | -89.1 | 0 | 0 | 0 | 110.2 | K89 L93 V171 R172 F268 F308 | K89-F270 HydrophobicContact CB-CE2 4.04Å; K89-F270 HydrophobicContact CD-CD2 4.13Å; K89-F270 HydrophobicContact CD-CE2 4.25Å; K89-F270 HydrophobicContact CG-CD2 4.36Å; K89-F270 HydrophobicContact CG-CE2 4.07Å; L93-F270 HydrophobicContact CD1-CE2 4.22Å; L93-F270 HydrophobicContact CD1-CZ 4.49Å; L93-F270 HydrophobicContact CD2-CE2 4.23Å; L93-F270 HydrophobicContact CD2-CZ 3.88Å; L93-F270 HydrophobicContact CG-CE2 4.21Å; L93-F270 HydrophobicContact CG-CZ 3.98Å; V171-F270 HydrophobicContact CG1-CE1 3.94Å; R172-F270 VanDerWaalsContact O-CE1 3.25Å; R172-F270 WeakPolarHBondContact O-CE1 3.4Å; F268-F270 PolarHBondContact O-N 3.25Å; F270-F308 HydrophobicContact CD2-CD1 4.05Å; F270-F308 AromaticContact CD2-CE1 3.36Å; F270-F308 HydrophobicContact CD2-CE1 3.36Å; F270-F308 AromaticContact CD2-CZ 3.9Å; F270-F308 HydrophobicContact CD2-CZ 3.9Å; F270-F308 AromaticContact CE2-CE1 3.49Å; F270-F308 HydrophobicContact CE2-CE1 3.49Å; F270-F308 VanDerWaalsContact CE2-CE1 3.49Å; F270-F308 AromaticContact CE2-CZ 3.58Å; F270-F308 HydrophobicContact CE2-CZ 3.58Å | ||
| 271 | K | 31.3 | Very low | 44.4 | Very low | 149 Ų | 149 | 82.8 Ų | 82.8 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -148.6 | 153.2 | 157.2 | -157 | 162.5 | -176.4 | 166.8 | 0 | 109.1 | S269 M273 | S269-K271 PolarHBondContact O-N 2.93Å; K271-M273 HydrophobicContact CB-CG 4.13Å; K271-M273 PolarHBondContact O-N 3.32Å |
| 272 | R | 35.2 | Very low | 45.4 | Very low | 183 Ų | 183 | 79.6 Ų | 79.6 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | trans | -62.7 | 77.4 | 167.2 | -172 | -174.3 | -168.1 | -174.7 | 3.1 | 107.8 | ||||
| 273 | M | 36.6 | Very low | 46.6 | Very low | 44 Ų | 44 | 80.5 Ų | 80.5 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | trans | -86.9 | 121 | 177.8 | -64.6 | -165.7 | -52.5 | 0 | 0 | 108 | S269 K271 E277 C278 K281 | S269-M273 WeakPolarHBondContact OG-CE 3.5Å; S269-M273 PolarHBondContact OG-SD 3.35Å; S269-M273 VanDerWaalsContact OG-SD 3.41Å; K271-M273 HydrophobicContact CB-CG 4.13Å; K271-M273 PolarHBondContact O-N 3.32Å; M273-E277 WeakPolarHBondContact CA-OE2 3.07Å; M273-E277 HydrophobicContact CB-CB 4.17Å; M273-C278 HydrophobicContact CE-CB 4.22Å; M273-K281 HydrophobicContact SD-CD 4.23Å | ||
| 274 | S | 44.7 | Very low | 48.1 | Very low | 66 Ų | 66 | 82.4 Ų | 82.4 | 46% | 0.462 | 39% | 0.387 | S | S | . | . | trans | -56.2 | 149.2 | 160 | 169 | 0 | 0 | 0 | 0 | 109.1 | R276 E277 C278 | S274-R276 PolarHBondContact O-N 2.99Å; S274-R276 PolarHBondContact OG-N 2.64Å; S274-E277 PolarHBondContact N-OE2 2.77Å; S274-E277 WeakPolarHBondContact O-CA 3.48Å; S274-E277 WeakPolarHBondContact O-CB 3.21Å; S274-E277 PolarHBondContact O-N 3.32Å; S274-C278 PolarHBondContact O-N 2.76Å; S274-C278 VanDerWaalsContact O-N 3.1Å | ||
| 275 | R | 46.3 | Very low | 49.3 | Very low | 207 Ų | 207 | 84 Ų | 84 | 78% | 0.781 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -49.2 | -31.9 | 174.8 | 179.7 | 178.4 | 156.3 | -170.1 | -5.6 | 112.7 | M279 | R275-M279 PolarHBondContact O-N 3.26Å |
| 276 | R | 51.7 | Low | 50.4 | Low | 208 Ų | 208 | 85.6 Ų | 85.6 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.2 | -39.4 | 175.2 | -70.7 | -173.5 | -171.4 | 172.1 | 2.5 | 113 | S274 C278 M279 A280 | S274-R276 PolarHBondContact O-N 2.99Å; S274-R276 PolarHBondContact OG-N 2.64Å; R276-C278 VanDerWaalsContact C-N 3.34Å; R276-M279 PolarHBondContact O-N 3.37Å; R276-A280 WeakPolarHBondContact O-CB 3.3Å; R276-A280 PolarHBondContact O-N 2.96Å |
| 277 | E | 52 | Low | 51.2 | Low | 105 Ų | 105 | 88.8 Ų | 88.8 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.7 | -32.7 | 178.8 | -67.2 | 168.3 | 150.7 | 0 | 0 | 111.3 | M273 S274 A280 K281 | M273-E277 WeakPolarHBondContact CA-OE2 3.07Å; M273-E277 HydrophobicContact CB-CB 4.17Å; S274-E277 PolarHBondContact N-OE2 2.77Å; S274-E277 WeakPolarHBondContact O-CA 3.48Å; S274-E277 WeakPolarHBondContact O-CB 3.21Å; S274-E277 PolarHBondContact O-N 3.32Å; E277-A280 PolarHBondContact O-N 2.86Å; E277-K281 WeakPolarHBondContact O-CB 3.17Å; E277-K281 PolarHBondContact O-N 2.87Å |
| 278 | C | 49 | Very low | 51.9 | Low | 18 Ų | 18 | 92.5 Ų | 92.5 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 173.4 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | Q178 M273 S274 R276 K281 E282 | Q178-C278 PolarHBondContact NE2-SG 3.39Å; Q178-C278 VanDerWaalsContact NE2-SG 3.44Å; M273-C278 HydrophobicContact CE-CB 4.22Å; S274-C278 PolarHBondContact O-N 2.76Å; S274-C278 VanDerWaalsContact O-N 3.1Å; R276-C278 VanDerWaalsContact C-N 3.34Å; C278-K281 PolarHBondContact O-N 2.9Å; C278-E282 PolarHBondContact O-N 2.79Å |
| 279 | M | 55.1 | Low | 52.5 | Low | 97 Ų | 97 | 97.9 Ų | 97.9 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.6 | -66.9 | -162.1 | -65.6 | 0 | 0 | 111.6 | R275 R276 K281 E282 E283 | R275-M279 PolarHBondContact O-N 3.26Å; R276-M279 PolarHBondContact O-N 3.37Å; M279-K281 VanDerWaalsContact C-N 3.29Å; M279-K281 PolarHBondContact O-N 2.85Å; M279-E282 WeakPolarHBondContact O-CB 3.31Å; M279-E282 PolarHBondContact O-N 3.5Å; M279-E283 WeakPolarHBondContact O-CG 3.46Å; M279-E283 PolarHBondContact O-N 3.41Å |
| 280 | A | 64.3 | Low | 53.5 | Low | 44 Ų | 44 | 103.2 Ų | 103.2 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R276 E277 E283 L284 | R276-A280 WeakPolarHBondContact O-CB 3.3Å; R276-A280 PolarHBondContact O-N 2.96Å; E277-A280 PolarHBondContact O-N 2.86Å; A280-E283 PolarHBondContact O-N 3.41Å; A280-L284 WeakPolarHBondContact O-CB 3.48Å; A280-L284 VanDerWaalsContact O-CG 3.25Å; A280-L284 WeakPolarHBondContact O-CG 3.39Å; A280-L284 PolarHBondContact O-N 3.3Å |
| 281 | K | 57.8 | Low | 54.9 | Low | 67 Ų | 67 | 105.6 Ų | 105.6 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.2 | -35.7 | 176 | -157.4 | 174.9 | -177.5 | -176.8 | 0 | 111.8 | M273 E277 C278 M279 L284 T285 E309 | M273-K281 HydrophobicContact SD-CD 4.23Å; E277-K281 WeakPolarHBondContact O-CB 3.17Å; E277-K281 PolarHBondContact O-N 2.87Å; C278-K281 PolarHBondContact O-N 2.9Å; M279-K281 VanDerWaalsContact C-N 3.29Å; M279-K281 PolarHBondContact O-N 2.85Å; K281-L284 PolarHBondContact O-N 2.82Å; K281-T285 VanDerWaalsContact O-CB 3.29Å; K281-T285 WeakPolarHBondContact O-CB 3.32Å; K281-T285 PolarHBondContact O-N 3.03Å; K281-T285 PolarHBondContact O-OG1 3.4Å; K281-E309 IonicContact NZ-OE2 3.96Å; K281-E309 PolarHBondContact NZ-OE2 3.06Å |
| 282 | E | 55.9 | Low | 55.9 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 169.8 | -77.7 | 173.3 | 177.5 | 0 | 0 | 112 | N266 C278 M279 T285 L286 | N266-E282 WeakPolarHBondContact ND2-CG 3.43Å; C278-E282 PolarHBondContact O-N 2.79Å; M279-E282 WeakPolarHBondContact O-CB 3.31Å; M279-E282 PolarHBondContact O-N 3.5Å; E282-T285 PolarHBondContact O-N 2.88Å; E282-L286 VanDerWaalsContact O-CB 3.27Å; E282-L286 WeakPolarHBondContact O-CB 3.42Å; E282-L286 PolarHBondContact O-N 3.32Å |
| 283 | E | 70.2 | Confident | 56.2 | Low | 129 Ų | 129 | 98.1 Ų | 98.1 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 176.9 | -71.3 | -175.8 | 178.3 | 0 | 0 | 111.8 | M279 A280 L286 L287 | M279-E283 WeakPolarHBondContact O-CG 3.46Å; M279-E283 PolarHBondContact O-N 3.41Å; A280-E283 PolarHBondContact O-N 3.41Å; E283-L286 PolarHBondContact O-N 2.9Å; E283-L287 WeakPolarHBondContact O-CB 3.47Å; E283-L287 WeakPolarHBondContact O-CD1 3.41Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.16Å |
| 284 | L | 67 | Low | 56.2 | Low | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.2 | -37.8 | 177.5 | -72.8 | 172.7 | 0 | 0 | 0 | 113 | A280 K281 L286 L287 N288 | A280-L284 WeakPolarHBondContact O-CB 3.48Å; A280-L284 VanDerWaalsContact O-CG 3.25Å; A280-L284 WeakPolarHBondContact O-CG 3.39Å; A280-L284 PolarHBondContact O-N 3.3Å; K281-L284 PolarHBondContact O-N 2.82Å; L284-L286 VanDerWaalsContact C-N 3.35Å; L284-L287 HydrophobicContact CD2-CD1 4.18Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.39Å; L284-N288 WeakPolarHBondContact O-CB 3.37Å; L284-N288 PolarHBondContact O-N 3.01Å |
| 285 | T | 65.6 | Low | 55.7 | Low | 42 Ų | 42 | 109.4 Ų | 109.4 | 26% | 0.258 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 174 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | K281 E282 N288 H289 | K281-T285 VanDerWaalsContact O-CB 3.29Å; K281-T285 WeakPolarHBondContact O-CB 3.32Å; K281-T285 PolarHBondContact O-N 3.03Å; K281-T285 PolarHBondContact O-OG1 3.4Å; E282-T285 PolarHBondContact O-N 2.88Å; T285-N288 PolarHBondContact O-N 2.91Å; T285-H289 WeakPolarHBondContact O-CB 3.27Å; T285-H289 PolarHBondContact O-N 3.43Å |
| 286 | L | 65.2 | Low | 55.2 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 171.7 | 178.1 | 63.8 | 0 | 0 | 0 | 111 | E282 E283 L284 N288 H289 L290 | E282-L286 VanDerWaalsContact O-CB 3.27Å; E282-L286 WeakPolarHBondContact O-CB 3.42Å; E282-L286 PolarHBondContact O-N 3.32Å; E283-L286 PolarHBondContact O-N 2.9Å; L284-L286 VanDerWaalsContact C-N 3.35Å; L286-N288 VanDerWaalsContact C-N 3.33Å; L286-N288 PolarHBondContact O-N 3.35Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 3.04Å; L286-L290 HydrophobicContact CD1-CD1 4.39Å; L286-L290 HydrophobicContact CG-CD1 4.11Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.13Å |
| 287 | L | 59.4 | Low | 54.4 | Low | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 173.7 | -86.3 | 156.4 | 0 | 0 | 0 | 111.5 | E283 L284 H289 L290 I291 | E283-L287 WeakPolarHBondContact O-CB 3.47Å; E283-L287 WeakPolarHBondContact O-CD1 3.41Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.16Å; L284-L287 HydrophobicContact CD2-CD1 4.18Å; L284-L287 WeakPolarHBondContact O-CB 3.47Å; L284-L287 PolarHBondContact O-N 3.39Å; L287-H289 VanDerWaalsContact C-N 3.3Å; L287-H289 PolarHBondContact O-N 3.48Å; L287-L290 CarbonylContact O-C 3.57Å; L287-L290 WeakPolarHBondContact O-CB 3.45Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.1Å; L287-I291 HydrophobicContact CB-CD1 4.36Å; L287-I291 HydrophobicContact CD2-CD1 4.44Å; L287-I291 WeakPolarHBondContact O-CB 3.4Å; L287-I291 WeakPolarHBondContact O-CD1 3.41Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 3.29Å |
| 288 | N | 64.1 | Low | 53.8 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -37.2 | 177.8 | -163 | 24.3 | 0 | 0 | 0 | 111.3 | L284 T285 L286 L290 I291 A292 | L284-N288 WeakPolarHBondContact O-CB 3.37Å; L284-N288 PolarHBondContact O-N 3.01Å; T285-N288 PolarHBondContact O-N 2.91Å; L286-N288 VanDerWaalsContact C-N 3.33Å; L286-N288 PolarHBondContact O-N 3.35Å; N288-L290 VanDerWaalsContact C-N 3.3Å; N288-L290 PolarHBondContact O-N 3.15Å; N288-I291 PolarHBondContact O-N 3.27Å; N288-A292 WeakPolarHBondContact O-CB 3.37Å; N288-A292 PolarHBondContact O-N 3.06Å |
| 289 | H | 57.1 | Low | 53.3 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -33 | 173 | -151.2 | 76.6 | 0 | 0 | 0 | 113 | K29 T285 L286 L287 | K29-H289 PolarHBondContact NZ-CE1 3.47Å; K29-H289 VanDerWaalsContact NZ-CE1 3.29Å; T285-H289 WeakPolarHBondContact O-CB 3.27Å; T285-H289 PolarHBondContact O-N 3.43Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 3.04Å; L287-H289 VanDerWaalsContact C-N 3.3Å; L287-H289 PolarHBondContact O-N 3.48Å |
| 290 | L | 58.3 | Low | 52.5 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 68% | 0.681 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.7 | -29.6 | 176.6 | -69.7 | 168.7 | 0 | 0 | 0 | 112.4 | L286 L287 N288 | L286-L290 HydrophobicContact CD1-CD1 4.39Å; L286-L290 HydrophobicContact CG-CD1 4.11Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.13Å; L287-L290 CarbonylContact O-C 3.57Å; L287-L290 WeakPolarHBondContact O-CB 3.45Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.1Å; N288-L290 VanDerWaalsContact C-N 3.3Å; N288-L290 PolarHBondContact O-N 3.15Å |
| 291 | I | 66.8 | Low | 52 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 59% | 0.59 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.3 | -32.4 | -178.5 | -66.1 | 163.2 | 0 | 0 | 0 | 111.6 | L287 N288 T293 | L287-I291 HydrophobicContact CB-CD1 4.36Å; L287-I291 HydrophobicContact CD2-CD1 4.44Å; L287-I291 WeakPolarHBondContact O-CB 3.4Å; L287-I291 WeakPolarHBondContact O-CD1 3.41Å; L287-I291 WeakPolarHBondContact O-CG1 3.49Å; L287-I291 PolarHBondContact O-N 3.29Å; N288-I291 PolarHBondContact O-N 3.27Å; I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 3.47Å |
| 292 | A | 52.1 | Low | 51.3 | Low | 62 Ų | 62 | 121.2 Ų | 121.2 | 51% | 0.512 | 64% | 0.64 | S | S | . | * | trans | -70.6 | 85.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N288 E294 | N288-A292 WeakPolarHBondContact O-CB 3.37Å; N288-A292 PolarHBondContact O-N 3.06Å; A292-E294 PolarHBondContact O-N 2.87Å | ||
| 293 | T | 39.9 | Very low | 51.5 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.693 | 62% | 0.624 | S | S | * | * | trans | -58.4 | 128.6 | 160.1 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | I291 N295 | I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 3.47Å; T293-N295 PolarHBondContact O-N 3.35Å | ||
| 294 | E | 36.5 | Very low | 50.5 | Low | 189 Ų | 189 | 116.9 Ų | 116.9 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | trans | -43.5 | 96.2 | -178.1 | -62.1 | 175.1 | 156.9 | 0 | 0 | 112.4 | A292 | A292-E294 PolarHBondContact O-N 2.87Š| ||
| 295 | N | 35.8 | Very low | 49.7 | Very low | 158 Ų | 158 | 111.7 Ų | 111.7 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | trans | -95.2 | 102.8 | 165.2 | -81.3 | -12.2 | 0 | 0 | 0 | 108.2 | T293 | T293-N295 PolarHBondContact O-N 3.35Š| ||
| 296 | E | 34.6 | Very low | 48.8 | Very low | 168 Ų | 168 | 110.9 Ų | 110.9 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -63 | 167.5 | 165.8 | -69.2 | -164.4 | 136.2 | 0 | 0 | 112 | ||||
| 297 | T | 34.9 | Very low | 48.1 | Very low | 133 Ų | 133 | 105.8 Ų | 105.8 | 82% | 0.816 | 56% | 0.562 | S | S | * | * | trans | 89.9 | 100.9 | 165 | 71.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 298 | D | 40.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 102.4 Ų | 102.4 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | -149 | 122.6 | 125.1 | -142.6 | -8.5 | 0 | 0 | 0 | 111.8 | R300 | D298-R300 PolarHBondContact O-N 3.1Š| |||
| 299 | S | 39 | Very low | 46.5 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 83% | 0.825 | 55% | 0.547 | S | S | * | . | trans | -96.2 | 81.8 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 300 | R | 38 | Very low | 45.6 | Very low | 204 Ų | 204 | 104.1 Ų | 104.1 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | trans | -129.6 | 137.2 | 163.4 | -71.3 | -175 | 174.7 | -172.9 | -0.4 | 109.3 | D298 G302 | D298-R300 PolarHBondContact O-N 3.1Å; R300-G302 PolarHBondContact O-N 2.98Å | ||
| 301 | E | 52.9 | Low | 44.4 | Very low | 187 Ų | 187 | 105 Ų | 105 | 87% | 0.874 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -64.7 | -24.6 | -171.9 | -69.3 | -177.7 | 153.9 | 0 | 0 | 113.2 | K34 | K34-E301 VanDerWaalsContact CE-O 3.32Å; K34-E301 WeakPolarHBondContact CE-O 3.44Å; K34-E301 PolarHBondContact NZ-O 3.08Å |
| 302 | G | 42.9 | Very low | 42.6 | Very low | 45 Ų | 45 | 108.4 Ų | 108.4 | 46% | 0.464 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -72.5 | 148.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | K34 R300 | K34-G302 PolarHBondContact NZ-O 3.44Å; R300-G302 PolarHBondContact O-N 2.98Å |
| 303 | V | 60.8 | Low | 41.6 | Very low | 12 Ų | 12 | 114.2 Ų | 114.2 | 7% | 0.073 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.4 | 161.7 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | V30 K34 R81 L305 | V30-V303 HydrophobicContact CG2-CG1 4.34Å; K34-V303 HydrophobicContact CD-CG2 3.41Å; K34-V303 VanDerWaalsContact CD-CG2 3.41Å; K34-V303 HydrophobicContact CG-CG2 3.88Å; K34-V303 VanDerWaalsContact NZ-CG2 3.33Å; R81-V303 PolarHBondContact N-O 2.87Å; V303-L305 HydrophobicContact CG1-CB 4.39Å; V303-L305 HydrophobicContact CG1-CD1 4.4Å; V303-L305 PolarHBondContact O-N 3.49Å |
| 304 | H | 49.8 | Very low | 41 | Very low | 114 Ų | 114 | 116 Ų | 116 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 105.4 | 166.5 | -166.7 | -88 | 0 | 0 | 0 | 107.6 | S306 E310 | H304-S306 PolarHBondContact CE1-OG 3.26Å; H304-S306 PolarHBondContact ND1-OG 2.95Å; H304-E310 IonicContact CE1-OE1 3.5Å |
| 305 | L | 49.5 | Very low | 40.6 | Very low | 0 Ų | 0 | 112.5 Ų | 112.5 | 0% | 0 | 58% | 0.579 | C | S | . | * | trans | -101.5 | 94.2 | -178.9 | -165.5 | 110 | 0 | 0 | 0 | 107.8 | L21 R24 L25 M80 R81 L82 V303 I307 | L21-L305 HydrophobicContact CD2-CD2 4.12Å; R24-L305 HydrophobicContact CB-CD2 4.01Å; R24-L305 HydrophobicContact CG-CD1 4.09Å; R24-L305 HydrophobicContact CG-CD2 3.58Å; R24-L305 HydrophobicContact CG-CG 3.84Å; L25-L305 HydrophobicContact CD2-CD1 3.54Å; L25-L305 HydrophobicContact CG-CD1 3.98Å; M80-L305 HydrophobicContact CG-CB 4.11Å; M80-L305 HydrophobicContact SD-CB 4.27Å; M80-L305 HydrophobicContact SD-CD2 3.93Å; R81-L305 PolarHBondContact O-N 3.18Å; L82-L305 HydrophobicContact CD2-CB 3.87Å; L82-L305 HydrophobicContact CD2-CD2 3.72Å; L82-L305 HydrophobicContact CD2-CG 4.4Å; L82-L305 WeakPolarHBondContact CD2-O 3.45Å; V303-L305 HydrophobicContact CG1-CB 4.39Å; V303-L305 HydrophobicContact CG1-CD1 4.4Å; V303-L305 PolarHBondContact O-N 3.49Å; L305-I307 HydrophobicContact CD2-CG1 3.98Å; L305-I307 PolarHBondContact O-N 3.27Å | ||
| 306 | S | 47.5 | Very low | 40.2 | Very low | 25 Ų | 25 | 109.8 Ų | 109.8 | 18% | 0.175 | 57% | 0.572 | C | S | . | * | trans | -72.3 | 112.8 | 168.1 | -52.7 | 0 | 0 | 0 | 0 | 106.9 | R24 Q28 H304 F308 E310 | R24-S306 PolarHBondContact NE-O 3.02Å; R24-S306 PolarHBondContact NH2-O 3.1Å; Q28-S306 PolarHBondContact NE2-O 2.69Å; H304-S306 PolarHBondContact CE1-OG 3.26Å; H304-S306 PolarHBondContact ND1-OG 2.95Å; S306-F308 VanDerWaalsContact CB-O 3.22Å; S306-F308 WeakPolarHBondContact CB-O 3.3Å; S306-F308 PolarHBondContact O-N 3.11Å; S306-E310 PolarHBondContact OG-OE1 3.4Å | ||
| 307 | I | 50.1 | Low | 39.9 | Very low | 0 Ų | 0 | 105.9 Ų | 105.9 | 0% | 0 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -67 | -17.4 | -179.9 | -61.4 | 176.8 | 0 | 0 | 0 | 110.4 | R24 L82 S86 L90 L305 | R24-I307 PolarHBondContact NE-O 3.45Å; R24-I307 PolarHBondContact NH1-O 2.72Å; R24-I307 PolarHBondContact NH2-O 2.78Å; L82-I307 HydrophobicContact CD1-CD1 4.06Å; L82-I307 HydrophobicContact CD2-CD1 3.84Å; L82-I307 HydrophobicContact CD2-CG1 3.84Å; S86-I307 WeakPolarHBondContact O-CD1 3.38Å; S86-I307 PolarHBondContact OG-N 3.01Å; S86-I307 VanDerWaalsContact OG-N 3.1Å; L90-I307 HydrophobicContact CB-CD1 3.73Å; L90-I307 HydrophobicContact CD1-CD1 4.36Å; L90-I307 HydrophobicContact CD2-CD1 4.19Å; L90-I307 HydrophobicContact CG-CD1 4.32Å; L305-I307 HydrophobicContact CD2-CG1 3.98Å; L305-I307 PolarHBondContact O-N 3.27Å |
| 308 | F | 46.6 | Very low | 39.5 | Very low | 16 Ų | 16 | 107.1 Ų | 107.1 | 7% | 0.07 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -133.3 | 154.8 | 179.7 | -51.8 | -85.8 | 0 | 0 | 0 | 109.3 | K89 L93 F268 F270 S306 E310 | K89-F308 HydrophobicContact CB-CD2 4.18Å; K89-F308 HydrophobicContact CB-CE1 4.5Å; K89-F308 HydrophobicContact CB-CE2 3.22Å; K89-F308 HydrophobicContact CB-CZ 3.43Å; K89-F308 VanDerWaalsContact CB-CZ 3.43Å; K89-F308 HydrophobicContact CD-CD1 4.13Å; K89-F308 HydrophobicContact CD-CD2 3.22Å; K89-F308 HydrophobicContact CD-CE1 3.99Å; K89-F308 HydrophobicContact CD-CE2 3.11Å; K89-F308 HydrophobicContact CD-CG 3.78Å; K89-F308 HydrophobicContact CD-CZ 3.54Å; K89-F308 HydrophobicContact CG-CD2 4.34Å; K89-F308 HydrophobicContact CG-CE2 3.79Å; K89-F308 HydrophobicContact CG-CZ 4.05Å; L93-F308 HydrophobicContact CD1-CZ 4.1Å; F268-F308 HydrophobicContact CB-CD1 3.98Å; F268-F308 HydrophobicContact CB-CE1 3.56Å; F268-F308 HydrophobicContact CB-CZ 4.37Å; F268-F308 HydrophobicContact CG-CE1 4.44Å; F268-F308 WeakPolarHBondContact O-CD1 3.38Å; F268-F308 WeakPolarHBondContact O-CE1 3.32Å; F270-F308 HydrophobicContact CD2-CD1 4.05Å; F270-F308 AromaticContact CD2-CE1 3.36Å; F270-F308 HydrophobicContact CD2-CE1 3.36Å; F270-F308 AromaticContact CD2-CZ 3.9Å; F270-F308 HydrophobicContact CD2-CZ 3.9Å; F270-F308 AromaticContact CE2-CE1 3.49Å; F270-F308 HydrophobicContact CE2-CE1 3.49Å; F270-F308 VanDerWaalsContact CE2-CE1 3.49Å; F270-F308 AromaticContact CE2-CZ 3.58Å; F270-F308 HydrophobicContact CE2-CZ 3.58Å; S306-F308 VanDerWaalsContact CB-O 3.22Å; S306-F308 WeakPolarHBondContact CB-O 3.3Å; S306-F308 PolarHBondContact O-N 3.11Å; F308-E310 PolarHBondContact O-N 3.35Å |
| 309 | E | 43.6 | Very low | 38.8 | Very low | 128 Ų | 128 | 105.2 Ų | 105.2 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | trans | -61.3 | 118.5 | 159.1 | -68.5 | 167.7 | 165.8 | 0 | 0 | 105.9 | K281 E311 | K281-E309 IonicContact NZ-OE2 3.96Å; K281-E309 PolarHBondContact NZ-OE2 3.06Å; E309-E311 PolarHBondContact O-N 3.21Å; E309-E311 VanDerWaalsContact O-N 3.15Å | ||
| 310 | E | 37.6 | Very low | 38.1 | Very low | 129 Ų | 129 | 111.2 Ų | 111.2 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | trans | -58.8 | 119.6 | 172.8 | -72.2 | 169.3 | -156.6 | 0 | 0 | 106.4 | H304 S306 F308 E312 | H304-E310 IonicContact CE1-OE1 3.5Å; S306-E310 PolarHBondContact OG-OE1 3.4Å; F308-E310 PolarHBondContact O-N 3.35Å; E310-E312 PolarHBondContact O-N 3Å | ||
| 311 | E | 33.5 | Very low | 37.3 | Very low | 148 Ų | 148 | 108.5 Ų | 108.5 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | trans | -55.5 | 114.1 | 169.5 | -69.7 | -176.9 | 151 | 0 | 0 | 105.4 | E309 K313 | E309-E311 PolarHBondContact O-N 3.21Å; E309-E311 VanDerWaalsContact O-N 3.15Å; E311-K313 PolarHBondContact O-N 2.92Å | ||
| 312 | E | 29.5 | Very low | 36 | Very low | 188 Ų | 188 | 107 Ų | 107 | 88% | 0.879 | 57% | 0.57 | S | S | * | * | trans | -51.9 | 99 | 164.1 | -76.7 | -171.7 | 165.5 | 0 | 0 | 105.3 | E310 D314 | E310-E312 PolarHBondContact O-N 3Å; E312-D314 PolarHBondContact O-N 3.41Å | ||
| 313 | K | 29.6 | Very low | 35 | Very low | 184 Ų | 184 | 112.4 Ų | 112.4 | 80% | 0.8 | 58% | 0.583 | S | S | * | * | trans | -58.3 | 113.9 | 168.2 | -77.1 | -177.1 | 177.4 | 178.6 | 0 | 104.2 | E311 S315 | E311-K313 PolarHBondContact O-N 2.92Å; K313-S315 PolarHBondContact O-N 3.24Å; K313-S315 PolarHBondContact O-OG 3.46Å; K313-S315 VanDerWaalsContact O-OG 3.13Å | ||
| 314 | D | 27.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 81% | 0.807 | 61% | 0.614 | S | S | * | * | trans | -35.6 | 90.2 | 171.3 | -70.7 | -44.8 | 0 | 0 | 0 | 110.1 | E312 | E312-D314 PolarHBondContact O-N 3.41Š| ||
| 315 | S | 28.4 | Very low | 32 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 63% | 0.627 | S | S | * | * | trans | -104.5 | 37.6 | 164.3 | 34 | 0 | 0 | 0 | 0 | 107.6 | K313 A317 | K313-S315 PolarHBondContact O-N 3.24Å; K313-S315 PolarHBondContact O-OG 3.46Å; K313-S315 VanDerWaalsContact O-OG 3.13Å; S315-A317 PolarHBondContact O-N 3.03Å | ||
| 316 | S | 26.7 | Very low | 30.6 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | trans | -75.5 | 67.9 | 152.3 | 56.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 317 | A | 29.8 | Very low | 29.4 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -126.8 | 78.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S315 | S315-A317 PolarHBondContact O-N 3.03Š| ||
| 318 | L | 26.1 | Very low | 28.1 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 33 | 109.9 | 141.7 | -73.4 | 153 | 0 | 0 | 0 | 117.5 | ||||
| 319 | S | 24.2 | Very low | 26.9 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -10.1 | 131.1 | 140.3 | 60.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 320 | R | 24.4 | Very low | 26 | Very low | 245 Ų | 245 | 153.1 Ų | 153.1 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | -166.9 | 133.3 | 123.4 | -104.5 | 164.6 | -173 | -172.1 | 1.9 | 111.5 | |||||
| 321 | N | 22.6 | Very low | 25.3 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -48.6 | 146.1 | 167.7 | -57.4 | -25.4 | 0 | 0 | 0 | 111.5 | ||||
| 322 | D | 25.7 | Very low | 25 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | -175.3 | 149.4 | 101.7 | -91.8 | -28.2 | 0 | 0 | 0 | 112.1 | |||||
| 323 | E | 22 | Very low | 24.7 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -72.5 | 160.4 | -176.7 | -50.2 | 172.1 | 142 | 0 | 0 | 113.5 | ||||
| 324 | K | 23.2 | Very low | 24.7 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 109.5 | 120.7 | 145.4 | -67.4 | 169.6 | -175 | 171.9 | 0 | 119.2 | ||||
| 325 | Q | 22.7 | Very low | 24.6 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 66.7 | 109 | 134.5 | -67.2 | -178.1 | -11.5 | 0 | 0 | 117.9 | ||||
| 326 | V | 21.1 | Very low | 24.4 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | 63.4 | 102.2 | 92.2 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 327 | E | 21.4 | Very low | 24.7 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | 173 | 157 | 100 | -125.4 | 157.8 | -157.8 | 0 | 0 | 111.9 | |||||
| 328 | D | 23.6 | Very low | 24.7 | Very low | 137 Ų | 137 | 155.7 Ų | 155.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 78.9 | 91.6 | 162 | -71.7 | -20.8 | 0 | 0 | 0 | 123.7 | ||||
| 329 | K | 21.8 | Very low | 25.4 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | 8 | 110.1 | 126 | -63 | 176.8 | 179.7 | 175.2 | 0 | 117.6 | |||||
| 330 | H | 24.3 | Very low | 25.7 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -137.9 | 126.4 | 140.9 | -97.1 | -71.8 | 0 | 0 | 0 | 109.9 | V332 | H330-V332 PolarHBondContact O-N 3.45Š| ||
| 331 | E | 22 | Very low | 26 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -59.3 | 121.2 | 171.8 | -75.9 | 169.1 | 132.4 | 0 | 0 | 110.7 | ||||
| 332 | V | 28.3 | Very low | 26.2 | Very low | 115 Ų | 115 | 154.5 Ų | 154.5 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 115.9 | 154.4 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | H330 E334 | H330-V332 PolarHBondContact O-N 3.45Å; V332-E334 HydrophobicContact CG1-CG 4.21Å; V332-E334 PolarHBondContact O-N 2.95Å | ||
| 333 | T | 23.4 | Very low | 26.4 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -67.8 | 79.4 | 176.9 | -45.4 | 0 | 0 | 0 | 0 | 109.2 | L335 | T333-L335 PolarHBondContact O-N 3.21Š| ||
| 334 | E | 28.3 | Very low | 26.7 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | trans | -78.7 | 120.5 | 170.2 | -71.2 | -173.4 | 170.5 | 0 | 0 | 109.3 | V332 N336 | V332-E334 HydrophobicContact CG1-CG 4.21Å; V332-E334 PolarHBondContact O-N 2.95Å; E334-N336 PolarHBondContact O-N 3.18Å | ||
| 335 | L | 26.6 | Very low | 27.4 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -50 | 104.7 | 175.6 | -73.5 | 149.7 | 0 | 0 | 0 | 110 | T333 V337 | T333-L335 PolarHBondContact O-N 3.21Å; L335-V337 VanDerWaalsContact C-N 3.27Å; L335-V337 PolarHBondContact O-N 3.43Å | ||
| 336 | N | 25.3 | Very low | 27.9 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -69.9 | 82.3 | 177.7 | -168.9 | 2.7 | 0 | 0 | 0 | 109.9 | E334 N338 | E334-N336 PolarHBondContact O-N 3.18Å; N336-N338 PolarHBondContact O-N 2.77Å | ||
| 337 | V | 31.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -77.1 | 84.9 | 165.8 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | L335 P339 | L335-V337 VanDerWaalsContact C-N 3.27Å; L335-V337 PolarHBondContact O-N 3.43Å; V337-P339 WeakPolarHBondContact O-CD 3.29Å | ||
| 338 | N | 31.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | trans | -63.4 | 111.1 | 175.6 | -165.4 | -4 | 0 | 0 | 0 | 109.3 | N336 H340 | N336-N338 PolarHBondContact O-N 2.77Å; N338-H340 PolarHBondContact O-N 3.19Å; N338-H340 VanDerWaalsContact O-N 3.12Å | ||
| 339 | P | 40.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -84.5 | 19.1 | -169.1 | 33.7 | -32.5 | 0 | 0 | 0 | 113.8 | V337 V341 | V337-P339 WeakPolarHBondContact O-CD 3.29Å; P339-V341 PolarHBondContact O-N 3.2Å | ||
| 340 | H | 30.4 | Very low | 32.1 | Very low | 152 Ų | 152 | 130 Ų | 130 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | trans | -98 | 69.7 | 178.3 | -70.2 | -50.4 | 0 | 0 | 0 | 112.1 | N338 R342 | N338-H340 PolarHBondContact O-N 3.19Å; N338-H340 VanDerWaalsContact O-N 3.12Å; H340-R342 VanDerWaalsContact C-N 3.31Å; H340-R342 PolarHBondContact O-N 2.99Å | ||
| 341 | V | 30.8 | Very low | 33.4 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | trans | -70.1 | 97.8 | 156 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | P339 I343 | P339-V341 PolarHBondContact O-N 3.2Å; V341-I343 HydrophobicContact CG1-CG1 4.02Å; V341-I343 PolarHBondContact O-N 3.39Å; V341-I343 VanDerWaalsContact O-N 3.08Å | ||
| 342 | R | 26.4 | Very low | 34.7 | Very low | 238 Ų | 238 | 117.9 Ų | 117.9 | 90% | 0.898 | 64% | 0.639 | S | S | * | * | trans | -68.1 | 98.9 | 169.2 | -75.9 | -178.6 | 172.1 | 170.6 | -1.9 | 108.2 | H340 D344 | H340-R342 VanDerWaalsContact C-N 3.31Å; H340-R342 PolarHBondContact O-N 2.99Å; R342-D344 PolarHBondContact O-N 3.36Å | ||
| 343 | I | 30.5 | Very low | 35.8 | Very low | 102 Ų | 102 | 114.4 Ų | 114.4 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | trans | -82.2 | 107.6 | 170.7 | -57.2 | 174.5 | 0 | 0 | 0 | 107.2 | V341 V345 | V341-I343 HydrophobicContact CG1-CG1 4.02Å; V341-I343 PolarHBondContact O-N 3.39Å; V341-I343 VanDerWaalsContact O-N 3.08Å; I343-V345 PolarHBondContact O-N 3.42Å | ||
| 344 | D | 28 | Very low | 37.2 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | trans | -76.2 | 112.6 | 175.5 | -173.1 | -15.2 | 0 | 0 | 0 | 109.7 | R342 S346 | R342-D344 PolarHBondContact O-N 3.36Å; D344-S346 PolarHBondContact O-N 2.88Å; D344-S346 WeakPolarHBondContact OD1-CB 3.23Å; D344-S346 PolarHBondContact OD1-N 3.35Å; D344-S346 VanDerWaalsContact OD1-N 3.15Å; D344-S346 PolarHBondContact OD1-OG 3.12Å | ||
| 345 | V | 38.2 | Very low | 38.3 | Very low | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -1.8 | -172.9 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | I343 K347 | I343-V345 PolarHBondContact O-N 3.42Å; V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.23Å |
| 346 | S | 31.5 | Very low | 39.4 | Very low | 85 Ų | 85 | 102.6 Ų | 102.6 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3 | -179.9 | 64.2 | 0 | 0 | 0 | 0 | 115 | D344 | D344-S346 PolarHBondContact O-N 2.88Å; D344-S346 WeakPolarHBondContact OD1-CB 3.23Å; D344-S346 PolarHBondContact OD1-N 3.35Å; D344-S346 VanDerWaalsContact OD1-N 3.15Å; D344-S346 PolarHBondContact OD1-OG 3.12Å |
| 347 | K | 34.7 | Very low | 40.7 | Very low | 165 Ų | 165 | 101.7 Ų | 101.7 | 72% | 0.717 | 53% | 0.531 | S | S | * | . | trans | -123.2 | 80.8 | 175.7 | -68.5 | -176 | -178.5 | 175.8 | 0 | 112 | V345 | V345-K347 VanDerWaalsContact C-N 3.31Å; V345-K347 PolarHBondContact O-N 3.23Å | ||
| 348 | P | 39.4 | Very low | 41.6 | Very low | 109 Ų | 109 | 99 Ų | 99 | 71% | 0.708 | 52% | 0.518 | S | S | * | . | trans | -67.8 | 143 | 168.1 | 30.2 | -30.7 | 0 | 0 | 0 | 108.7 | ||||
| 349 | S | 53.4 | Low | 42.2 | Very low | 36 Ų | 36 | 94.9 Ų | 94.9 | 25% | 0.252 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 100.8 | -35.3 | 171.3 | -159.2 | 0 | 0 | 0 | 0 | 118.6 | L50 E351 T352 L353 | L50-S349 WeakPolarHBondContact CD1-OG 3.38Å; S349-E351 PolarHBondContact O-N 3.05Å; S349-T352 PolarHBondContact O-OG1 3.37Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 WeakPolarHBondContact O-CD1 3.38Å; S349-L353 WeakPolarHBondContact O-CG 3.23Å; S349-L353 PolarHBondContact O-N 3.46Å; S349-L353 VanDerWaalsContact OG-CD1 3.23Å; S349-L353 WeakPolarHBondContact OG-CD1 3.14Å |
| 350 | A | 49.1 | Very low | 42 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R354 | A350-R354 VanDerWaalsContact O-CB 3.31Å; A350-R354 WeakPolarHBondContact O-CB 3.31Å; A350-R354 WeakPolarHBondContact O-CG 3.22Å; A350-R354 PolarHBondContact O-N 3.04Å |
| 351 | E | 51 | Low | 42.1 | Very low | 108 Ų | 108 | 92 Ų | 92 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.7 | -44.1 | -179.6 | -68.9 | -173.6 | 171.5 | 0 | 0 | 112.3 | S349 L353 R354 L355 | S349-E351 PolarHBondContact O-N 3.05Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 PolarHBondContact O-N 3.08Å; E351-R354 CarbonylContact O-C 3.58Å; E351-R354 PolarHBondContact O-N 3.19Å; E351-L355 WeakPolarHBondContact O-CB 2.97Å; E351-L355 WeakPolarHBondContact O-CD1 3.47Å; E351-L355 WeakPolarHBondContact O-CG 3.44Å; E351-L355 PolarHBondContact O-N 3.23Å |
| 352 | T | 51.1 | Low | 42.3 | Very low | 17 Ų | 17 | 90.9 Ų | 90.9 | 10% | 0.104 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 173.1 | 26.7 | 0 | 0 | 0 | 0 | 112.1 | T45 L74 S349 L355 L356 | T45-T352 HydrophobicContact CG2-CG2 4.03Å; L74-T352 HydrophobicContact CD2-CG2 4.34Å; S349-T352 PolarHBondContact O-OG1 3.37Å; T352-L355 WeakPolarHBondContact O-CB 3.21Å; T352-L355 PolarHBondContact O-N 2.96Å; T352-L356 PolarHBondContact O-N 3.3Å |
| 353 | L | 49.5 | Very low | 42.5 | Very low | 41 Ų | 41 | 89 Ų | 89 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 172.5 | -72.1 | 170.1 | 0 | 0 | 0 | 112.8 | L50 K54 S349 E351 L355 L356 H357 | L50-L353 HydrophobicContact CB-CD1 3.68Å; L50-L353 HydrophobicContact CB-CD2 3.73Å; L50-L353 HydrophobicContact CB-CG 4.13Å; L50-L353 HydrophobicContact CD1-CD1 3.74Å; L50-L353 HydrophobicContact CG-CD1 4.24Å; L50-L353 WeakPolarHBondContact O-CD2 3.45Å; K54-L353 HydrophobicContact CG-CD2 3.84Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 WeakPolarHBondContact O-CD1 3.38Å; S349-L353 WeakPolarHBondContact O-CG 3.23Å; S349-L353 PolarHBondContact O-N 3.46Å; S349-L353 VanDerWaalsContact OG-CD1 3.23Å; S349-L353 WeakPolarHBondContact OG-CD1 3.14Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 PolarHBondContact O-N 3.08Å; L353-L355 PolarHBondContact O-N 3.4Å; L353-L356 PolarHBondContact O-N 3.22Å; L353-H357 WeakPolarHBondContact O-CB 3.22Å; L353-H357 PolarHBondContact O-N 3.37Å |
| 354 | R | 53.7 | Low | 42.3 | Very low | 181 Ų | 181 | 86.8 Ų | 86.8 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.6 | -33.1 | 171.1 | -81.9 | 175.6 | 179.4 | 173 | -1.2 | 111.4 | A350 E351 H357 S358 | A350-R354 VanDerWaalsContact O-CB 3.31Å; A350-R354 WeakPolarHBondContact O-CB 3.31Å; A350-R354 WeakPolarHBondContact O-CG 3.22Å; A350-R354 PolarHBondContact O-N 3.04Å; E351-R354 CarbonylContact O-C 3.58Å; E351-R354 PolarHBondContact O-N 3.19Å; R354-H357 CarbonylContact O-C 3.52Å; R354-H357 PolarHBondContact O-N 3.26Å; R354-S358 WeakPolarHBondContact O-CB 3.31Å; R354-S358 PolarHBondContact O-N 3.2Å; R354-S358 PolarHBondContact O-OG 3.42Å |
| 355 | L | 52.2 | Low | 42.2 | Very low | 29 Ų | 29 | 90.3 Ų | 90.3 | 15% | 0.152 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -72 | -49.6 | 178.6 | -72.8 | 157.1 | 0 | 0 | 0 | 111.2 | K73 E351 T352 L353 H357 S358 L359 | K73-L355 HydrophobicContact CB-CD1 4.48Å; K73-L355 HydrophobicContact CD-CD1 3.15Å; K73-L355 HydrophobicContact CD-CD2 4.03Å; K73-L355 HydrophobicContact CD-CG 4.2Å; K73-L355 HydrophobicContact CG-CD1 4.42Å; E351-L355 WeakPolarHBondContact O-CB 2.97Å; E351-L355 WeakPolarHBondContact O-CD1 3.47Å; E351-L355 WeakPolarHBondContact O-CG 3.44Å; E351-L355 PolarHBondContact O-N 3.23Å; T352-L355 WeakPolarHBondContact O-CB 3.21Å; T352-L355 PolarHBondContact O-N 2.96Å; L353-L355 PolarHBondContact O-N 3.4Å; L355-H357 PolarHBondContact O-N 3.38Å; L355-S358 VanDerWaalsContact CA-OG 3.31Å; L355-S358 WeakPolarHBondContact CA-OG 3.47Å; L355-S358 CarbonylContact O-C 3.5Å; L355-S358 WeakPolarHBondContact O-CA 3.5Å; L355-S358 WeakPolarHBondContact O-CB 3.47Å; L355-S358 PolarHBondContact O-N 3.05Å; L355-S358 PolarHBondContact O-OG 3.07Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.32Å; L355-L359 PolarHBondContact O-N 2.95Å |
| 356 | L | 49.9 | Very low | 41.6 | Very low | 9 Ų | 9 | 94.4 Ų | 94.4 | 5% | 0.047 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -55.5 | -38.4 | 168 | -86.9 | 152.3 | 0 | 0 | 0 | 112.4 | F51 K54 T352 L353 S358 L359 D360 | F51-L356 HydrophobicContact CB-CD1 4.43Å; F51-L356 HydrophobicContact CD2-CD1 3.12Å; F51-L356 HydrophobicContact CD2-CG 4.24Å; F51-L356 HydrophobicContact CE2-CD1 3.32Å; F51-L356 HydrophobicContact CE2-CG 4Å; F51-L356 HydrophobicContact CG-CD1 3.88Å; F51-L356 HydrophobicContact CZ-CD1 4.26Å; K54-L356 HydrophobicContact CB-CB 4.19Å; K54-L356 HydrophobicContact CB-CD1 3.72Å; K54-L356 HydrophobicContact CB-CD2 4.1Å; K54-L356 HydrophobicContact CB-CG 4.25Å; T352-L356 PolarHBondContact O-N 3.3Å; L353-L356 PolarHBondContact O-N 3.22Å; L356-S358 VanDerWaalsContact C-N 3.27Å; L356-S358 PolarHBondContact O-N 2.97Å; L356-L359 HydrophobicContact CD2-CD1 3.78Å; L356-L359 HydrophobicContact CG-CD1 4.08Å; L356-L359 WeakPolarHBondContact O-CA 3.48Å; L356-L359 WeakPolarHBondContact O-CB 3.31Å; L356-L359 PolarHBondContact O-N 2.88Å; L356-D360 PolarHBondContact O-N 3Å |
| 357 | H | 51 | Low | 41.3 | Very low | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.4 | -23.1 | 176.3 | -149.5 | -62.6 | 0 | 0 | 0 | 112.7 | L353 R354 L355 | L353-H357 WeakPolarHBondContact O-CB 3.22Å; L353-H357 PolarHBondContact O-N 3.37Å; R354-H357 CarbonylContact O-C 3.52Å; R354-H357 PolarHBondContact O-N 3.26Å; L355-H357 PolarHBondContact O-N 3.38Å |
| 358 | S | 50.7 | Low | 41 | Very low | 68 Ų | 68 | 99.6 Ų | 99.6 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -85.8 | -12.4 | 166.7 | 71.6 | 0 | 0 | 0 | 0 | 113 | R354 L355 L356 D360 I361 | R354-S358 WeakPolarHBondContact O-CB 3.31Å; R354-S358 PolarHBondContact O-N 3.2Å; R354-S358 PolarHBondContact O-OG 3.42Å; L355-S358 VanDerWaalsContact CA-OG 3.31Å; L355-S358 WeakPolarHBondContact CA-OG 3.47Å; L355-S358 CarbonylContact O-C 3.5Å; L355-S358 WeakPolarHBondContact O-CA 3.5Å; L355-S358 WeakPolarHBondContact O-CB 3.47Å; L355-S358 PolarHBondContact O-N 3.05Å; L355-S358 PolarHBondContact O-OG 3.07Å; L356-S358 VanDerWaalsContact C-N 3.27Å; L356-S358 PolarHBondContact O-N 2.97Å; S358-D360 VanDerWaalsContact C-N 3.31Å; S358-I361 WeakPolarHBondContact O-CG1 3.48Å |
| 359 | L | 43.6 | Very low | 40.5 | Very low | 27 Ų | 27 | 101.6 Ų | 101.6 | 14% | 0.141 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -76.9 | -22.1 | 167.2 | -60.1 | 177.7 | 0 | 0 | 0 | 111.1 | P62 T66 L355 L356 I361 | P62-L359 HydrophobicContact CB-CD2 4.47Å; P62-L359 HydrophobicContact CG-CD2 4.39Å; T66-L359 HydrophobicContact CG2-CD2 2.9Å; T66-L359 HydrophobicContact CG2-CG 4.39Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.32Å; L355-L359 PolarHBondContact O-N 2.95Å; L356-L359 HydrophobicContact CD2-CD1 3.78Å; L356-L359 HydrophobicContact CG-CD1 4.08Å; L356-L359 WeakPolarHBondContact O-CA 3.48Å; L356-L359 WeakPolarHBondContact O-CB 3.31Å; L356-L359 PolarHBondContact O-N 2.88Å; L359-I361 PolarHBondContact O-N 3.33Å |
| 360 | D | 36.3 | Very low | 39.5 | Very low | 87 Ų | 87 | 104.2 Ų | 104.2 | 47% | 0.465 | 55% | 0.547 | S | S | . | . | trans | -72.6 | 58.2 | 174.5 | -152.4 | -1.4 | 0 | 0 | 0 | 110.7 | L356 S358 S362 | L356-D360 PolarHBondContact O-N 3Å; S358-D360 VanDerWaalsContact C-N 3.31Å; D360-S362 PolarHBondContact O-N 3.48Å | ||
| 361 | I | 32.9 | Very low | 39 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 59% | 0.59 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 63 | 175.4 | -47.4 | 176.4 | 0 | 0 | 0 | 107.3 | S358 L359 | S358-I361 WeakPolarHBondContact O-CG1 3.48Å; L359-I361 PolarHBondContact O-N 3.33Å |
| 362 | S | 34.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 108.4 Ų | 108.4 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -6.2 | 152.9 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | D360 | D360-S362 PolarHBondContact O-N 3.48Š|
| 363 | K | 30.4 | Very low | 38.9 | Very low | 200 Ų | 200 | 110.6 Ų | 110.6 | 87% | 0.87 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -148.2 | 101.3 | 171.1 | -66.6 | -170.8 | 178 | -179.2 | 0 | 110.8 | ||
| 364 | G | 26.9 | Very low | 39.3 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -163.1 | 70.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 365 | E | 26.3 | Very low | 39.7 | Very low | 193 Ų | 193 | 110.2 Ų | 110.2 | 90% | 0.902 | 60% | 0.596 | S | S | * | * | trans | 67.4 | 91.3 | 152.4 | -63.7 | 172.6 | 178.9 | 0 | 0 | 117.2 | ||||
| 366 | E | 25.1 | Very low | 40.5 | Very low | 183 Ų | 183 | 113.9 Ų | 113.9 | 86% | 0.855 | 61% | 0.612 | S | S | * | * | trans | -44 | 143.6 | 135.9 | -68.8 | 174.2 | 155.6 | 0 | 0 | 110.9 | ||||
| 367 | E | 25.8 | Very low | 41.4 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 84% | 0.841 | 63% | 0.634 | S | S | * | * | trans | 72.4 | 96.1 | 160.1 | -62.7 | 179.4 | 177 | 0 | 0 | 118.2 | ||||
| 368 | E | 27.4 | Very low | 42.4 | Very low | 179 Ų | 179 | 116.4 Ų | 116.4 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | S | Bend | -177.8 | 120.4 | 102.7 | -97.7 | -173.4 | 162.5 | 0 | 0 | 111.5 | |||
| 369 | N | 29.3 | Very low | 43.6 | Very low | 151 Ų | 151 | 118.3 Ų | 118.3 | 81% | 0.807 | 63% | 0.631 | S | S | * | * | trans | 55.6 | 69.3 | 155.7 | -63.5 | -37.9 | 0 | 0 | 0 | 118.7 | ||||
| 370 | A | 33 | Very low | 45 | Very low | 91 Ų | 91 | 121 Ų | 121 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K372 | A370-K372 PolarHBondContact O-N 3.21Š|
| 371 | P | 37.9 | Very low | 46.7 | Very low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 124.6 | -173.2 | 28.4 | -32.4 | 0 | 0 | 0 | 110.4 | S373 | P371-S373 PolarHBondContact O-N 3.49Š|
| 372 | K | 45.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 133.8 | 176.2 | -70.3 | 177.5 | 171.7 | -179.9 | 0 | 110.7 | A370 E376 E380 | A370-K372 PolarHBondContact O-N 3.21Å; K372-E376 WeakPolarHBondContact CA-OE2 3.34Å; K372-E376 HydrophobicContact CB-CB 4.36Å; K372-E380 VanDerWaalsContact NZ-CD 3.28Å; K372-E380 IonicContact NZ-OE1 3.95Å; K372-E380 PolarHBondContact NZ-OE1 2.71Å; K372-E380 VanDerWaalsContact NZ-OE1 3.1Å; K372-E380 IonicContact NZ-OE2 2.71Å; K372-E380 PolarHBondContact NZ-OE2 2.73Å |
| 373 | S | 55.4 | Low | 50.4 | Low | 63 Ų | 63 | 123.6 Ų | 123.6 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 148.6 | 175 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | P371 S375 E376 M377 | P371-S373 PolarHBondContact O-N 3.49Å; S373-S375 PolarHBondContact O-N 3.02Å; S373-S375 PolarHBondContact OG-N 2.79Å; S373-S375 PolarHBondContact OG-OG 2.6Å; S373-E376 PolarHBondContact N-OE2 2.74Å; S373-E376 VanDerWaalsContact N-OE2 3.15Å; S373-E376 WeakPolarHBondContact O-CB 3.47Å; S373-E376 PolarHBondContact O-N 3.06Å; S373-M377 PolarHBondContact O-N 2.92Å; S373-M377 VanDerWaalsContact O-N 3.1Å |
| 374 | H | 56.5 | Low | 52 | Low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.676 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52.3 | -30.7 | 176.5 | -155.7 | 62.5 | 0 | 0 | 0 | 112.4 | I378 | H374-I378 WeakPolarHBondContact O-CD1 3.32Å; H374-I378 VanDerWaalsContact O-CG1 3.25Å; H374-I378 WeakPolarHBondContact O-CG1 3.34Å; H374-I378 PolarHBondContact O-N 3.3Å; H374-I378 VanDerWaalsContact O-N 3.15Å |
| 375 | S | 62.8 | Low | 53.3 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.9 | -37.4 | 174.4 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | S373 L379 | S373-S375 PolarHBondContact O-N 3.02Å; S373-S375 PolarHBondContact OG-N 2.79Å; S373-S375 PolarHBondContact OG-OG 2.6Å; S375-L379 PolarHBondContact O-N 2.94Å |
| 376 | E | 68.8 | Low | 54.5 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.7 | -36.4 | 176.8 | -70.8 | 174.6 | 145.1 | 0 | 0 | 110.9 | K372 S373 I378 L379 E380 | K372-E376 WeakPolarHBondContact CA-OE2 3.34Å; K372-E376 HydrophobicContact CB-CB 4.36Å; S373-E376 PolarHBondContact N-OE2 2.74Å; S373-E376 VanDerWaalsContact N-OE2 3.15Å; S373-E376 WeakPolarHBondContact O-CB 3.47Å; S373-E376 PolarHBondContact O-N 3.06Å; E376-I378 VanDerWaalsContact C-N 3.31Å; E376-I378 PolarHBondContact O-N 3.1Å; E376-L379 PolarHBondContact O-N 3.41Å; E376-E380 PolarHBondContact O-N 3.01Å |
| 377 | M | 69.3 | Low | 56 | Low | 103 Ų | 103 | 121.8 Ų | 121.8 | 51% | 0.507 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.9 | -37.6 | 175.8 | -146.5 | 175.9 | 124.8 | 0 | 0 | 111.8 | S373 M381 | S373-M377 PolarHBondContact O-N 2.92Å; S373-M377 VanDerWaalsContact O-N 3.1Å; M377-M381 WeakPolarHBondContact O-CG 3.19Å; M377-M381 PolarHBondContact O-N 2.8Å; M377-M381 VanDerWaalsContact O-N 3.11Å |
| 378 | I | 72.4 | Confident | 57.6 | Low | 84 Ų | 84 | 118.7 Ų | 118.7 | 43% | 0.431 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.9 | -41.4 | 175.6 | -68.8 | 165.3 | 0 | 0 | 0 | 111.5 | H374 E376 M381 L382 | H374-I378 WeakPolarHBondContact O-CD1 3.32Å; H374-I378 VanDerWaalsContact O-CG1 3.25Å; H374-I378 WeakPolarHBondContact O-CG1 3.34Å; H374-I378 PolarHBondContact O-N 3.3Å; H374-I378 VanDerWaalsContact O-N 3.15Å; E376-I378 VanDerWaalsContact C-N 3.31Å; E376-I378 PolarHBondContact O-N 3.1Å; I378-M381 PolarHBondContact O-N 2.81Å; I378-L382 HydrophobicContact CG2-CD1 4.09Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.22Å; I378-L382 VanDerWaalsContact O-N 3.09Å |
| 379 | L | 74.5 | Confident | 59.3 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.9 | -43.2 | 176.4 | -88 | 157.3 | 0 | 0 | 0 | 111.8 | S375 E376 M381 L382 D383 | S375-L379 PolarHBondContact O-N 2.94Å; E376-L379 PolarHBondContact O-N 3.41Å; L379-M381 VanDerWaalsContact C-N 3.33Å; L379-M381 PolarHBondContact O-N 3.48Å; L379-L382 PolarHBondContact O-N 3.41Å; L379-D383 PolarHBondContact O-N 3.08Å; L379-D383 VanDerWaalsContact O-N 3.12Å |
| 380 | E | 74.2 | Confident | 61 | Low | 84 Ų | 84 | 113.3 Ų | 113.3 | 39% | 0.393 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.6 | -28 | 179.9 | -151.7 | 175.9 | -166.1 | 0 | 0 | 112.6 | K372 E376 K384 | K372-E380 VanDerWaalsContact NZ-CD 3.28Å; K372-E380 IonicContact NZ-OE1 3.95Å; K372-E380 PolarHBondContact NZ-OE1 2.71Å; K372-E380 VanDerWaalsContact NZ-OE1 3.1Å; K372-E380 IonicContact NZ-OE2 2.71Å; K372-E380 PolarHBondContact NZ-OE2 2.73Å; E376-E380 PolarHBondContact O-N 3.01Å; E380-K384 PolarHBondContact O-N 3.23Å |
| 381 | M | 71.7 | Confident | 62.8 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.6 | -37.1 | 171.5 | -79.9 | -176 | 61.2 | 0 | 0 | 112.6 | M377 I378 L379 | M377-M381 WeakPolarHBondContact O-CG 3.19Å; M377-M381 PolarHBondContact O-N 2.8Å; M377-M381 VanDerWaalsContact O-N 3.11Å; I378-M381 PolarHBondContact O-N 2.81Å; L379-M381 VanDerWaalsContact C-N 3.33Å; L379-M381 PolarHBondContact O-N 3.48Å |
| 382 | L | 70.8 | Confident | 64.4 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -43.3 | 177.3 | -76.1 | 162.7 | 0 | 0 | 0 | 111.1 | I378 L379 K384 S385 | I378-L382 HydrophobicContact CG2-CD1 4.09Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.22Å; I378-L382 VanDerWaalsContact O-N 3.09Å; L379-L382 PolarHBondContact O-N 3.41Å; L382-K384 VanDerWaalsContact C-N 3.25Å; L382-K384 PolarHBondContact O-N 3.42Å; L382-S385 PolarHBondContact O-N 2.71Å; L382-S385 VanDerWaalsContact O-N 3.15Å; L382-S385 PolarHBondContact O-OG 3.15Å |
| 383 | D | 73.6 | Confident | 65.8 | Low | 125 Ų | 125 | 113.5 Ų | 113.5 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -22.2 | 179.6 | -86.7 | -3.5 | 0 | 0 | 0 | 113.9 | L379 | L379-D383 PolarHBondContact O-N 3.08Å; L379-D383 VanDerWaalsContact O-N 3.12Å |
| 384 | K | 63.7 | Low | 66.6 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 73% | 0.726 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -0.9 | 176.3 | -72.5 | -177.1 | -178 | 175.4 | 0 | 114.4 | E380 L382 | E380-K384 PolarHBondContact O-N 3.23Å; L382-K384 VanDerWaalsContact C-N 3.25Å; L382-K384 PolarHBondContact O-N 3.42Å |
| 385 | S | 54.6 | Low | 67.4 | Low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | trans | -108.3 | 4 | -179.8 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | L382 | L382-S385 PolarHBondContact O-N 2.71Å; L382-S385 VanDerWaalsContact O-N 3.15Å; L382-S385 PolarHBondContact O-OG 3.15Å | ||
| 386 | L | 52.8 | Low | 67.8 | Low | 212 Ų | 212 | 119.2 Ų | 119.2 | 100% | 1.11 | 61% | 0.609 | S | S | * | * | trans | -109.6 | 0 | 166.9 | -71 | 166.1 | 0 | 0 | 0 | 109 |
Retrieved 386 of 386 residues in 111 ms
(Link to these results)