| 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 | 41.1 | Very low | 85.9 | Confident | 238 Ų | 238 | 74.4 Ų | 74.4 | 100% | 1.172 | 40% | 0.4 | S | S | * | . | 0 | 141.7 | 0 | -78.3 | 173.1 | 173.8 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 3.43Å; M1-L3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | T | 50 | Low | 87 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | trans | -55.9 | 119.5 | 177.1 | 45.3 | 0 | 0 | 0 | 0 | 108.6 | F4 | T2-F4 PolarHBondContact O-N 3.15Å; T2-F4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | L | 78 | Confident | 87.9 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -61.8 | -19.8 | -170.9 | -155 | 81.6 | 0 | 0 | 0 | 112.9 | M1 | M1-L3 PolarHBondContact O-N 3.43Å; M1-L3 VanDerWaalsContact O-N 3.16Å |
| 4 | F | 93.2 | Very high | 88.6 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | trans | -121.8 | 141.8 | -174.9 | -51.1 | -54.6 | 0 | 0 | 0 | 110.9 | T2 T209 L210 L222 F223 | T2-F4 PolarHBondContact O-N 3.15Å; T2-F4 VanDerWaalsContact O-N 3.1Å; F4-T209 HydrophobicContact CD1-CG2 3.69Å; F4-T209 HydrophobicContact CE1-CG2 3.94Å; F4-T209 WeakPolarHBondContact CE1-O 3.43Å; F4-L210 HydrophobicContact CE1-CB 4.22Å; F4-L210 HydrophobicContact CZ-CD1 4.4Å; F4-L222 WeakPolarHBondContact CB-O 3.44Å; F4-L222 HydrophobicContact CD2-CB 3.89Å; F4-L222 HydrophobicContact CD2-CD2 4.37Å; F4-L222 HydrophobicContact CE2-CB 4.05Å; F4-L222 HydrophobicContact CE2-CD1 4.11Å; F4-L222 HydrophobicContact CE2-CD2 4.1Å; F4-L222 HydrophobicContact CE2-CG 4.32Å; F4-L222 HydrophobicContact CG-CB 4.48Å; F4-L222 HydrophobicContact CZ-CD1 4.44Å; F4-F223 HydrophobicContact CB-CD1 4.21Å; F4-F223 HydrophobicContact CB-CE1 4.23Å; F4-F223 HydrophobicContact CD1-CD1 4.36Å; F4-F223 AromaticContact CD1-CE1 3.59Å; F4-F223 HydrophobicContact CD1-CE1 3.59Å; F4-F223 HydrophobicContact CD1-CE2 4.25Å; F4-F223 AromaticContact CD1-CZ 3.53Å; F4-F223 HydrophobicContact CD1-CZ 3.53Å; F4-F223 HydrophobicContact CE1-CE1 4.32Å; F4-F223 HydrophobicContact CE1-CE2 4.43Å; F4-F223 AromaticContact CE1-CZ 3.81Å; F4-F223 HydrophobicContact CE1-CZ 3.81Å; F4-F223 HydrophobicContact CG-CE1 4.18Å; F4-F223 HydrophobicContact CG-CZ 4.26Å | ||
| 5 | H | 93.9 | Very high | 89.1 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | trans | -101.7 | 149.2 | 170.1 | -63.4 | -80.7 | 0 | 0 | 0 | 110.5 | V7 Q191 | H5-V7 PolarHBondContact O-N 2.96Å; H5-Q191 PolarHBondContact O-NE2 3.35Å; H5-Q191 PolarHBondContact O-OE1 3.26Å | ||
| 6 | P | 96.6 | Very high | 89.5 | Confident | 100 Ų | 100 | 53.6 Ų | 53.6 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | trans | -57.6 | 132.6 | 170.3 | -24.4 | 34.8 | 0 | 0 | 0 | 112 | F223 | P6-F223 CarbonylContact C-O 3.57Å; P6-F223 WeakPolarHBondContact CA-O 3.3Å | ||
| 7 | V | 97.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -106.1 | 143.8 | -177.5 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | H5 H9 V10 S171 L173 Q191 F223 L225 | H5-V7 PolarHBondContact O-N 2.96Å; V7-H9 WeakPolarHBondContact CG1-O 3.33Å; V7-V10 HydrophobicContact CG1-CG2 4.19Å; V7-S171 CarbonylContact C-O 3.43Å; V7-S171 WeakPolarHBondContact CA-O 3.48Å; V7-S171 WeakPolarHBondContact CG1-O 3.5Å; V7-L173 HydrophobicContact CB-CB 4.34Å; V7-L173 HydrophobicContact CG1-CB 3.66Å; V7-L173 HydrophobicContact CG2-CB 3.8Å; V7-Q191 VanDerWaalsContact CG2-NE2 3.26Å; V7-F223 HydrophobicContact CB-CB 4.19Å; V7-F223 HydrophobicContact CG2-CB 3.77Å; V7-F223 HydrophobicContact CG2-CD1 3.91Å; V7-F223 HydrophobicContact CG2-CG 4.24Å; V7-F223 PolarHBondContact N-O 3.33Å; V7-L225 HydrophobicContact CB-CD2 4.26Å; V7-L225 HydrophobicContact CB-CG 4.33Å; V7-L225 HydrophobicContact CG1-CD1 4.41Å; V7-L225 HydrophobicContact CG1-CD2 4.2Å | ||
| 8 | T | 98.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -118.5 | -23.7 | 175.3 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | P107 S171 | T8-P107 WeakPolarHBondContact O-CD 3.27Å; T8-S171 PolarHBondContact N-O 2.9Å; T8-S171 PolarHBondContact OG1-O 3.27Å; T8-S171 PolarHBondContact OG1-OG 3.45Å |
| 9 | H | 98.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.3 | -176.8 | -62.1 | 73.3 | 0 | 0 | 0 | 110.1 | V7 F162 P164 S171 V172 L173 | V7-H9 WeakPolarHBondContact CG1-O 3.33Å; H9-F162 HydrophobicContact CB-CD2 4.26Å; H9-F162 HydrophobicContact CB-CE2 3.97Å; H9-F162 HydrophobicContact CB-CZ 4.24Å; H9-F162 AromaticContact CD2-CD1 3.77Å; H9-F162 AromaticContact CD2-CD2 3.64Å; H9-F162 AromaticContact CD2-CG 3.45Å; H9-F162 VanDerWaalsContact CD2-CG 3.45Å; H9-F162 WeakPolarHBondContact CD2-CG 3.31Å; H9-P164 PolarHBondContact NE2-O 2.8Å; H9-P164 VanDerWaalsContact NE2-O 3.15Å; H9-S171 PolarHBondContact N-O 3.46Å; H9-V172 HydrophobicContact CB-CG2 4.38Å; H9-V172 WeakPolarHBondContact O-CA 3.43Å; H9-L173 PolarHBondContact O-N 3.41Å |
| 10 | V | 98.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.6 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | V7 F12 L101 V106 P107 I108 A109 L173 F175 L225 | V7-V10 HydrophobicContact CG1-CG2 4.19Å; V10-F12 HydrophobicContact CB-CE2 4.11Å; V10-F12 HydrophobicContact CG1-CD2 3.91Å; V10-F12 HydrophobicContact CG1-CE1 4.34Å; V10-F12 HydrophobicContact CG1-CE2 3.32Å; V10-F12 HydrophobicContact CG1-CZ 3.57Å; V10-L101 HydrophobicContact CB-CD1 4.18Å; V10-L101 HydrophobicContact CG1-CD1 4.13Å; V10-L101 HydrophobicContact CG2-CD1 3.99Å; V10-V106 HydrophobicContact CG2-CG1 3.95Å; V10-P107 PolarHBondContact N-O 2.58Å; V10-I108 HydrophobicContact CB-CG2 4.02Å; V10-I108 CarbonylContact O-C 3.49Å; V10-I108 VanDerWaalsContact O-CA 3.22Å; V10-I108 WeakPolarHBondContact O-CA 3.28Å; V10-A109 PolarHBondContact O-N 2.64Å; V10-L173 CarbonylContact C-O 3.53Å; V10-L173 VanDerWaalsContact CA-O 3.29Å; V10-L173 WeakPolarHBondContact CA-O 3.39Å; V10-L173 WeakPolarHBondContact CG1-O 3.37Å; V10-L173 HydrophobicContact CG2-CB 4.42Å; V10-F175 HydrophobicContact CG1-CD2 3.6Å; V10-F175 HydrophobicContact CG1-CE2 3.55Å; V10-L225 HydrophobicContact CG2-CD1 4.16Å |
| 11 | I | 98.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.2 | 173.1 | -56.4 | 173.8 | 0 | 0 | 0 | 108 | A109 C111 Y155 C158 A159 F162 V172 L173 V174 F175 M190 | I11-A109 CarbonylContact C-O 3.54Å; I11-A109 WeakPolarHBondContact CA-O 3.46Å; I11-A109 HydrophobicContact CG1-CB 4.49Å; I11-C111 HydrophobicContact CG2-CB 3.59Å; I11-Y155 HydrophobicContact CD1-CD1 4.44Å; I11-Y155 HydrophobicContact CG2-CD1 3.88Å; I11-Y155 HydrophobicContact CG2-CE1 3.85Å; I11-C158 HydrophobicContact CD1-CB 4.02Å; I11-A159 HydrophobicContact CD1-CB 4.07Å; I11-F162 HydrophobicContact CD1-CE2 4.24Å; I11-F162 HydrophobicContact CG1-CE2 3.87Å; I11-F162 HydrophobicContact CG1-CZ 4.21Å; I11-V172 HydrophobicContact CD1-CG1 3.73Å; I11-V172 HydrophobicContact CG1-CG1 3.89Å; I11-L173 PolarHBondContact N-O 2.99Å; I11-V174 HydrophobicContact CB-CG2 4.4Å; I11-V174 CarbonylContact O-C 3.59Å; I11-V174 VanDerWaalsContact O-CA 3.24Å; I11-V174 WeakPolarHBondContact O-CA 3.34Å; I11-F175 PolarHBondContact O-N 3.01Å; I11-M190 HydrophobicContact CD1-SD 4.44Å |
| 12 | F | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.1 | 175.7 | -67 | -91.7 | 0 | 0 | 0 | 110.1 | V10 L17 L18 L97 L101 I108 A109 L110 C111 F133 F175 | V10-F12 HydrophobicContact CB-CE2 4.11Å; V10-F12 HydrophobicContact CG1-CD2 3.91Å; V10-F12 HydrophobicContact CG1-CE1 4.34Å; V10-F12 HydrophobicContact CG1-CE2 3.32Å; V10-F12 HydrophobicContact CG1-CZ 3.57Å; F12-L17 HydrophobicContact CD1-CD2 4.35Å; F12-L18 HydrophobicContact CB-CD1 3.75Å; F12-L18 HydrophobicContact CB-CG 4.28Å; F12-L18 HydrophobicContact CD1-CD2 3.85Å; F12-L18 HydrophobicContact CD1-CG 4.38Å; F12-L18 HydrophobicContact CE1-CD2 4.38Å; F12-L18 HydrophobicContact CG-CD1 4.23Å; F12-L18 HydrophobicContact CG-CD2 4.35Å; F12-L97 HydrophobicContact CE1-CD2 3.68Å; F12-L97 HydrophobicContact CE1-CG 4.26Å; F12-L97 HydrophobicContact CZ-CD2 3.89Å; F12-L97 HydrophobicContact CZ-CG 4.01Å; F12-L101 HydrophobicContact CE2-CD1 3.91Å; F12-L101 HydrophobicContact CZ-CD1 3.68Å; F12-I108 HydrophobicContact CE2-CB 4.26Å; F12-I108 HydrophobicContact CE2-CG2 4.18Å; F12-A109 PolarHBondContact N-O 3.15Å; F12-L110 HydrophobicContact CB-CD1 4.41Å; F12-L110 WeakPolarHBondContact O-CA 3.04Å; F12-C111 PolarHBondContact O-N 3.01Å; F12-F133 HydrophobicContact CB-CE1 4.08Å; F12-F133 HydrophobicContact CB-CZ 4.38Å; F12-F133 AromaticContact CD2-CE1 3.71Å; F12-F133 HydrophobicContact CD2-CE1 3.71Å; F12-F133 HydrophobicContact CD2-CZ 4.07Å; F12-F133 HydrophobicContact CG-CE1 4.22Å; F12-F133 HydrophobicContact CG-CZ 4.38Å; F12-F175 HydrophobicContact CD1-CB 3.65Å; F12-F175 AromaticContact CD1-CD2 3.88Å; F12-F175 HydrophobicContact CD1-CD2 3.88Å; F12-F175 AromaticContact CD1-CG 3.87Å; F12-F175 HydrophobicContact CD1-CG 3.87Å; F12-F175 HydrophobicContact CE1-CB 3.97Å; F12-F175 HydrophobicContact CE1-CD1 4.28Å; F12-F175 AromaticContact CE1-CD2 3.43Å; F12-F175 HydrophobicContact CE1-CD2 3.43Å; F12-F175 VanDerWaalsContact CE1-CD2 3.43Å; F12-F175 AromaticContact CE1-CE2 3.93Å; F12-F175 HydrophobicContact CE1-CE2 3.93Å; F12-F175 AromaticContact CE1-CG 3.64Å; F12-F175 HydrophobicContact CE1-CG 3.64Å; F12-F175 HydrophobicContact CG-CB 4.5Å; F12-F175 AromaticContact CZ-CD2 3.87Å; F12-F175 HydrophobicContact CZ-CD2 3.87Å; F12-F175 HydrophobicContact CZ-CE2 4.03Å; F12-F175 HydrophobicContact CZ-CG 4.5Å |
| 13 | D | 98.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | trans | -62.9 | 172.4 | 149.5 | -168.6 | 70.3 | 0 | 0 | 0 | 110.1 | D15 L17 L18 K149 F175 E176 | D13-D15 PolarHBondContact OD2-N 2.86Å; D13-D15 VanDerWaalsContact OD2-N 3.09Å; D13-L17 HydrophobicContact CB-CD2 3.95Å; D13-L18 WeakPolarHBondContact O-CD1 3.48Å; D13-L18 WeakPolarHBondContact O-CG 3.45Å; D13-K149 IonicContact OD1-NZ 3.58Å; D13-K149 PolarHBondContact OD1-NZ 3.15Å; D13-F175 PolarHBondContact N-O 3.31Å; D13-E176 HydrophobicContact CB-CG 4.28Å | ||
| 14 | M | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -117.2 | -54.6 | -178.3 | -169.8 | 179.1 | 67.4 | 0 | 0 | 112.9 | L17 L18 I19 L110 Y119 K122 T123 F130 | M14-L17 PolarHBondContact O-N 3.33Å; M14-L18 PolarHBondContact O-N 3.35Å; M14-I19 HydrophobicContact CG-CD1 4.32Å; M14-I19 PolarHBondContact O-N 3.38Å; M14-I19 VanDerWaalsContact O-N 3.08Å; M14-I19 HydrophobicContact SD-CD1 4.34Å; M14-L110 HydrophobicContact CB-CD1 3.93Å; M14-L110 HydrophobicContact CB-CD2 4.49Å; M14-L110 HydrophobicContact CB-CG 4.46Å; M14-L110 HydrophobicContact CG-CD1 4.3Å; M14-L110 HydrophobicContact SD-CD2 4.04Å; M14-Y119 HydrophobicContact CE-CD2 3.97Å; M14-Y119 HydrophobicContact SD-CD2 3.51Å; M14-Y119 VanDerWaalsContact SD-CD2 3.51Å; M14-Y119 HydrophobicContact SD-CE2 3.77Å; M14-K122 HydrophobicContact CE-CD 3.79Å; M14-T123 HydrophobicContact SD-CG2 3.98Å; M14-F130 HydrophobicContact CG-CE1 3.9Å; M14-F130 HydrophobicContact CG-CZ 4.02Å; M14-F130 HydrophobicContact SD-CE1 3.79Å; M14-F130 HydrophobicContact SD-CZ 4.2Å | ||
| 15 | D | 96.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 126.6 | -164.6 | -69 | -70.6 | 0 | 0 | 0 | 108.4 | D13 L17 T21 S112 S114 K122 | D13-D15 PolarHBondContact OD2-N 2.86Å; D13-D15 VanDerWaalsContact OD2-N 3.09Å; D15-L17 PolarHBondContact O-N 2.95Å; D15-L17 VanDerWaalsContact O-N 3.09Å; D15-T21 VanDerWaalsContact CA-OG1 3.32Å; D15-T21 WeakPolarHBondContact CA-OG1 3.43Å; D15-T21 WeakPolarHBondContact CB-OG1 3.22Å; D15-T21 VanDerWaalsContact OD1-CG2 3.25Å; D15-T21 WeakPolarHBondContact OD1-CG2 3.13Å; D15-T21 PolarHBondContact OD1-OG1 3.3Å; D15-S112 PolarHBondContact OD2-OG 3.46Å; D15-S114 PolarHBondContact OD1-OG 2.96Å; D15-S114 PolarHBondContact OD2-OG 3.11Å; D15-K122 WeakPolarHBondContact OD1-CD 3.13Å; D15-K122 WeakPolarHBondContact OD1-CE 3.34Å; D15-K122 IonicContact OD1-NZ 3.82Å; D15-K122 PolarHBondContact OD1-NZ 2.94Å; D15-K122 IonicContact OD2-NZ 2.77Å |
| 16 | G | 96 | Very high | 97.3 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -15.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | I19 T21 M91 | G16-I19 PolarHBondContact N-O 2.77Å; G16-T21 PolarHBondContact N-OG1 3.05Å; G16-M91 WeakPolarHBondContact O-CE 3.4Å |
| 17 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -57.7 | -179 | 179.7 | 70.3 | 0 | 0 | 0 | 114.2 | F12 D13 M14 D15 M91 F175 D177 V195 L215 | F12-L17 HydrophobicContact CD1-CD2 4.35Å; D13-L17 HydrophobicContact CB-CD2 3.95Å; M14-L17 PolarHBondContact O-N 3.33Å; D15-L17 PolarHBondContact O-N 2.95Å; D15-L17 VanDerWaalsContact O-N 3.09Å; L17-M91 WeakPolarHBondContact O-CB 3.46Å; L17-M91 WeakPolarHBondContact O-CG 3.48Å; L17-F175 HydrophobicContact CD1-CB 4.35Å; L17-F175 HydrophobicContact CD2-CB 3.58Å; L17-F175 WeakPolarHBondContact CD2-O 3.49Å; L17-F175 HydrophobicContact CG-CB 4.5Å; L17-D177 HydrophobicContact CB-CB 4.33Å; L17-V195 HydrophobicContact CD1-CB 3.8Å; L17-V195 HydrophobicContact CD1-CG2 3.86Å; L17-L215 HydrophobicContact CD1-CD1 4.4Å; L17-L215 HydrophobicContact CD1-CD2 4.1Å; L17-L215 HydrophobicContact CD1-CG 4.42Å; L17-L215 WeakPolarHBondContact O-CD1 3.25Å |
| 18 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -34.8 | 179.6 | -68.6 | 178.8 | 0 | 0 | 0 | 111.2 | F12 D13 M14 L90 M91 A94 V98 L110 F130 F133 L215 | F12-L18 HydrophobicContact CB-CD1 3.75Å; F12-L18 HydrophobicContact CB-CG 4.28Å; F12-L18 HydrophobicContact CD1-CD2 3.85Å; F12-L18 HydrophobicContact CD1-CG 4.38Å; F12-L18 HydrophobicContact CE1-CD2 4.38Å; F12-L18 HydrophobicContact CG-CD1 4.23Å; F12-L18 HydrophobicContact CG-CD2 4.35Å; D13-L18 WeakPolarHBondContact O-CD1 3.48Å; D13-L18 WeakPolarHBondContact O-CG 3.45Å; M14-L18 PolarHBondContact O-N 3.35Å; L18-L90 CarbonylContact O-C 3.56Å; L18-L90 VanDerWaalsContact O-CA 3.32Å; L18-L90 WeakPolarHBondContact O-CA 3.21Å; L18-L90 WeakPolarHBondContact O-CD2 3.37Å; L18-M91 PolarHBondContact O-N 3.29Å; L18-A94 HydrophobicContact CD2-CB 3.86Å; L18-V98 HydrophobicContact CD2-CG2 4.13Å; L18-L110 HydrophobicContact CD1-CD1 3.71Å; L18-F130 HydrophobicContact CB-CZ 4.22Å; L18-F130 HydrophobicContact CD1-CE1 4.33Å; L18-F130 HydrophobicContact CD1-CZ 4.31Å; L18-F133 HydrophobicContact CD1-CE1 4.39Å; L18-F133 HydrophobicContact CD1-CE2 4.36Å; L18-F133 HydrophobicContact CD1-CZ 3.59Å; L18-L215 HydrophobicContact CD2-CD1 4.28Å |
| 19 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 135.5 | 178.4 | -65.4 | 172.9 | 0 | 0 | 0 | 108.7 | M14 G16 T21 A88 V89 L90 K122 T123 F130 | M14-I19 HydrophobicContact CG-CD1 4.32Å; M14-I19 PolarHBondContact O-N 3.38Å; M14-I19 VanDerWaalsContact O-N 3.08Å; M14-I19 HydrophobicContact SD-CD1 4.34Å; G16-I19 PolarHBondContact N-O 2.77Å; I19-T21 HydrophobicContact CB-CG2 4.22Å; I19-T21 HydrophobicContact CG2-CG2 3.64Å; I19-T21 PolarHBondContact O-N 2.62Å; I19-A88 HydrophobicContact CG2-CB 3.35Å; I19-V89 CarbonylContact C-O 3.57Å; I19-V89 WeakPolarHBondContact CA-O 3.19Å; I19-L90 HydrophobicContact CG1-CD2 4.12Å; I19-K122 HydrophobicContact CD1-CB 4.08Å; I19-K122 WeakPolarHBondContact CD1-O 3.47Å; I19-T123 HydrophobicContact CD1-CG2 3.9Å; I19-F130 HydrophobicContact CD1-CE1 4.36Å; I19-F130 HydrophobicContact CD1-CE2 3.51Å; I19-F130 HydrophobicContact CD1-CZ 3.36Å; I19-F130 HydrophobicContact CG1-CE2 3.86Å; I19-F130 HydrophobicContact CG1-CZ 3.72Å |
| 20 | N | 97 | Very high | 97.3 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 17% | 0.166 | 11% | 0.111 | C | C | . | . | trans | -75.2 | 74.2 | 171.4 | -171.7 | 1 | 0 | 0 | 0 | 111.4 | D23 H24 V89 M91 | N20-D23 PolarHBondContact ND2-OD2 3.27Å; N20-D23 PolarHBondContact OD1-N 3.08Å; N20-H24 PolarHBondContact O-ND1 3.42Å; N20-V89 HydrophobicContact CB-CG2 4.17Å; N20-V89 PolarHBondContact N-O 3.39Å; N20-M91 HydrophobicContact CB-SD 3.57Å; N20-M91 VanDerWaalsContact CB-SD 3.57Å | ||
| 21 | T | 95.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -82.5 | -20.3 | 171.3 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | D15 G16 I19 D23 H24 Y25 A88 K122 | D15-T21 VanDerWaalsContact CA-OG1 3.32Å; D15-T21 WeakPolarHBondContact CA-OG1 3.43Å; D15-T21 WeakPolarHBondContact CB-OG1 3.22Å; D15-T21 VanDerWaalsContact OD1-CG2 3.25Å; D15-T21 WeakPolarHBondContact OD1-CG2 3.13Å; D15-T21 PolarHBondContact OD1-OG1 3.3Å; G16-T21 PolarHBondContact N-OG1 3.05Å; I19-T21 HydrophobicContact CB-CG2 4.22Å; I19-T21 HydrophobicContact CG2-CG2 3.64Å; I19-T21 PolarHBondContact O-N 2.62Å; T21-D23 PolarHBondContact O-N 3.37Å; T21-H24 PolarHBondContact O-N 2.92Å; T21-Y25 WeakPolarHBondContact O-CB 3.35Å; T21-Y25 PolarHBondContact O-N 3.28Å; T21-A88 HydrophobicContact CG2-CB 4.46Å; T21-K122 HydrophobicContact CG2-CD 3.7Å; T21-K122 HydrophobicContact CG2-CG 3.89Å |
| 22 | E | 94.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 24.7 Ų | 24.7 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.5 | -33.5 | -171.6 | -75.3 | -48.5 | 114.7 | 0 | 0 | 113.9 | T26 K45 | E22-T26 WeakPolarHBondContact O-CB 3.47Å; E22-T26 PolarHBondContact O-N 3.24Å; E22-T26 PolarHBondContact O-OG1 3.19Å; E22-K45 VanDerWaalsContact CB-NZ 3.32Å; E22-K45 PolarHBondContact O-NZ 2.81Å; E22-K45 VanDerWaalsContact O-NZ 3.12Å; E22-K45 WeakPolarHBondContact OE2-CE 3.48Å; E22-K45 IonicContact OE2-NZ 3.48Å; E22-K45 PolarHBondContact OE2-NZ 2.67Å |
| 23 | D | 95.7 | Very high | 97.1 | Very high | 89 Ų | 89 | 24.8 Ų | 24.8 | 48% | 0.476 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -71 | -46.7 | 172 | -73.3 | -16.5 | 0 | 0 | 0 | 111.2 | N20 T21 Y25 T26 E27 | N20-D23 PolarHBondContact ND2-OD2 3.27Å; N20-D23 PolarHBondContact OD1-N 3.08Å; T21-D23 PolarHBondContact O-N 3.37Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 2.89Å; D23-T26 WeakPolarHBondContact O-CB 3.32Å; D23-T26 PolarHBondContact O-N 3.27Å; D23-T26 VanDerWaalsContact O-N 3.14Å; D23-E27 PolarHBondContact O-N 3.27Å |
| 24 | H | 96.9 | Very high | 97 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 177.6 | -66.1 | 91.3 | 0 | 0 | 0 | 112.1 | N20 T21 T26 E27 A28 L84 F85 | N20-H24 PolarHBondContact O-ND1 3.42Å; T21-H24 PolarHBondContact O-N 2.92Å; H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 PolarHBondContact O-N 3.5Å; H24-E27 PolarHBondContact O-N 3.24Å; H24-A28 WeakPolarHBondContact O-CB 3.1Å; H24-A28 PolarHBondContact O-N 3.05Å; H24-L84 HydrophobicContact CB-CB 4.14Å; H24-L84 PolarHBondContact CD2-O 3.15Å; H24-L84 WeakPolarHBondContact O-CD1 3.37Å; H24-F85 HydrophobicContact CB-CD1 3.96Å; H24-F85 HydrophobicContact CB-CE1 4.09Å |
| 25 | Y | 94.9 | Very high | 96.9 | Very high | 45 Ų | 45 | 38 Ų | 38 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.3 | -169.6 | -104.7 | 0 | 0 | 0 | 111.9 | T21 D23 H29 F57 M81 F85 | T21-Y25 WeakPolarHBondContact O-CB 3.35Å; T21-Y25 PolarHBondContact O-N 3.28Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 PolarHBondContact O-N 2.89Å; Y25-H29 AromaticContact CD1-CE1 3.78Å; Y25-H29 AromaticContact CD1-ND1 3.81Å; Y25-H29 AromaticContact CE1-CE1 3.22Å; Y25-H29 WeakPolarHBondContact CE1-CE1 3.32Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CE2-CE1 3.94Å; Y25-H29 AromaticContact CZ-CE1 3.34Å; Y25-H29 PolarHBondContact O-N 3.2Å; Y25-H29 VanDerWaalsContact O-N 3.17Å; Y25-H29 PolarHBondContact O-ND1 3.16Å; Y25-F57 HydrophobicContact CE2-CE1 4.3Å; Y25-F57 VanDerWaalsContact OH-CE1 3.26Å; Y25-F57 WeakPolarHBondContact OH-CE1 3.41Å; Y25-M81 HydrophobicContact CD2-SD 3.72Å; Y25-M81 HydrophobicContact CE2-SD 3.8Å; Y25-F85 HydrophobicContact CD2-CZ 4.44Å |
| 26 | T | 96.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | E22 D23 H24 H29 N30 F40 | E22-T26 WeakPolarHBondContact O-CB 3.47Å; E22-T26 PolarHBondContact O-N 3.24Å; E22-T26 PolarHBondContact O-OG1 3.19Å; D23-T26 WeakPolarHBondContact O-CB 3.32Å; D23-T26 PolarHBondContact O-N 3.27Å; D23-T26 VanDerWaalsContact O-N 3.14Å; H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 PolarHBondContact O-N 3.5Å; T26-H29 PolarHBondContact O-N 3.09Å; T26-N30 PolarHBondContact O-N 2.95Å; T26-N30 PolarHBondContact O-ND2 3.2Å; T26-F40 HydrophobicContact CG2-CD1 4.11Å |
| 27 | E | 97.8 | Very high | 97 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.4 | -176 | 171.8 | -172.3 | 0 | 0 | 111.4 | D23 H24 H29 N30 M31 L84 | D23-E27 PolarHBondContact O-N 3.27Å; H24-E27 PolarHBondContact O-N 3.24Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.38Å; E27-N30 CarbonylContact O-C 3.58Å; E27-N30 WeakPolarHBondContact O-CA 3.26Å; E27-N30 PolarHBondContact O-N 2.64Å; E27-M31 HydrophobicContact CG-CG 4.47Å; E27-M31 HydrophobicContact CG-SD 4.41Å; E27-M31 WeakPolarHBondContact O-CG 3.39Å; E27-M31 PolarHBondContact O-N 3.47Å; E27-L84 HydrophobicContact CB-CD1 4.06Å; E27-L84 HydrophobicContact CG-CD1 3.96Å; E27-L84 HydrophobicContact CG-CD2 4.29Å |
| 28 | A | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.9 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H24 N30 M31 L32 M77 M81 L84 | H24-A28 WeakPolarHBondContact O-CB 3.1Å; H24-A28 PolarHBondContact O-N 3.05Å; A28-N30 PolarHBondContact O-N 3.4Å; A28-M31 PolarHBondContact O-N 3.31Å; A28-L32 PolarHBondContact O-N 2.94Å; A28-M77 HydrophobicContact CB-CE 3.71Å; A28-M81 HydrophobicContact CB-CG 4.09Å; A28-L84 HydrophobicContact CB-CD1 3.9Å |
| 29 | H | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.3 | -80.2 | 82.5 | 0 | 0 | 0 | 111.8 | Y25 T26 E27 M31 L32 L33 F40 Q48 F57 M77 | Y25-H29 AromaticContact CD1-CE1 3.78Å; Y25-H29 AromaticContact CD1-ND1 3.81Å; Y25-H29 AromaticContact CE1-CE1 3.22Å; Y25-H29 WeakPolarHBondContact CE1-CE1 3.32Å; Y25-H29 AromaticContact CE1-ND1 3.74Å; Y25-H29 AromaticContact CE2-CE1 3.94Å; Y25-H29 AromaticContact CZ-CE1 3.34Å; Y25-H29 PolarHBondContact O-N 3.2Å; Y25-H29 VanDerWaalsContact O-N 3.17Å; Y25-H29 PolarHBondContact O-ND1 3.16Å; T26-H29 PolarHBondContact O-N 3.09Å; E27-H29 VanDerWaalsContact C-N 3.32Å; E27-H29 PolarHBondContact O-N 3.38Å; H29-M31 VanDerWaalsContact C-N 3.31Å; H29-M31 PolarHBondContact O-N 3.01Å; H29-L32 PolarHBondContact O-N 3.38Å; H29-L33 VanDerWaalsContact O-CB 3.32Å; H29-L33 WeakPolarHBondContact O-CB 3.26Å; H29-L33 WeakPolarHBondContact O-CG 3.2Å; H29-L33 PolarHBondContact O-N 3.39Å; H29-F40 HydrophobicContact CB-CB 3.55Å; H29-F40 HydrophobicContact CB-CD1 3.73Å; H29-F40 HydrophobicContact CB-CD2 3.92Å; H29-F40 HydrophobicContact CB-CE1 4.43Å; H29-F40 HydrophobicContact CB-CG 3.45Å; H29-F40 VanDerWaalsContact CB-CG 3.45Å; H29-F40 AromaticContact CD2-CD2 3.68Å; H29-F40 AromaticContact CD2-CE2 3.75Å; H29-F40 AromaticContact CG-CD1 3.89Å; H29-F40 AromaticContact CG-CD2 3.84Å; H29-F40 AromaticContact CG-CG 3.77Å; H29-Q48 PolarHBondContact NE2-NE2 3.14Å; H29-F57 AromaticContact CE1-CE1 3.78Å; H29-F57 AromaticContact NE2-CD1 3.82Å; H29-F57 AromaticContact NE2-CE1 3.74Å; H29-M77 WeakPolarHBondContact CE1-CE 3.47Å; H29-M77 VanDerWaalsContact ND1-CE 3.31Å; H29-M77 WeakPolarHBondContact ND1-CE 3.34Å |
| 30 | N | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -33.6 | 179.6 | -78.3 | -46.5 | 0 | 0 | 0 | 112.8 | T26 E27 A28 L33 K34 T39 F40 | T26-N30 PolarHBondContact O-N 2.95Å; T26-N30 PolarHBondContact O-ND2 3.2Å; E27-N30 CarbonylContact O-C 3.58Å; E27-N30 WeakPolarHBondContact O-CA 3.26Å; E27-N30 PolarHBondContact O-N 2.64Å; A28-N30 PolarHBondContact O-N 3.4Å; N30-L33 PolarHBondContact O-N 3.15Å; N30-K34 VanDerWaalsContact O-CB 3.3Å; N30-K34 WeakPolarHBondContact O-CB 3.36Å; N30-K34 PolarHBondContact O-N 2.93Å; N30-T39 WeakPolarHBondContact OD1-CG2 3.42Å; N30-F40 PolarHBondContact OD1-N 3.28Å |
| 31 | M | 97.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 172.5 | -69.2 | 175.9 | 81.1 | 0 | 0 | 111.1 | E27 A28 H29 Y80 L84 | E27-M31 HydrophobicContact CG-CG 4.47Å; E27-M31 HydrophobicContact CG-SD 4.41Å; E27-M31 WeakPolarHBondContact O-CG 3.39Å; E27-M31 PolarHBondContact O-N 3.47Å; A28-M31 PolarHBondContact O-N 3.31Å; H29-M31 VanDerWaalsContact C-N 3.31Å; H29-M31 PolarHBondContact O-N 3.01Å; M31-Y80 HydrophobicContact CB-CD1 4.03Å; M31-Y80 HydrophobicContact CB-CD2 4.29Å; M31-Y80 HydrophobicContact CB-CE1 4.03Å; M31-Y80 HydrophobicContact CB-CE2 4.29Å; M31-Y80 HydrophobicContact CB-CG 4.17Å; M31-Y80 HydrophobicContact CE-CD1 3.45Å; M31-Y80 VanDerWaalsContact CE-CD1 3.45Å; M31-Y80 HydrophobicContact CE-CE1 3.66Å; M31-Y80 HydrophobicContact CE-CG 4.46Å; M31-Y80 HydrophobicContact SD-CD1 3.76Å; M31-Y80 HydrophobicContact SD-CE1 4.37Å; M31-Y80 HydrophobicContact SD-CG 4.23Å; M31-L84 HydrophobicContact SD-CD1 3.93Å |
| 32 | L | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 176.1 | -175 | 153.4 | 0 | 0 | 0 | 111.7 | A28 H29 K34 R35 F36 M73 E76 M77 Y80 | A28-L32 PolarHBondContact O-N 2.94Å; H29-L32 PolarHBondContact O-N 3.38Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.97Å; L32-R35 WeakPolarHBondContact O-CG 3.44Å; L32-F36 HydrophobicContact CD2-CD2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 3.98Å; L32-M73 HydrophobicContact CD1-CG 4.14Å; L32-E76 HydrophobicContact CD1-CB 3.9Å; L32-M77 HydrophobicContact CB-SD 4.28Å; L32-M77 HydrophobicContact CD1-CG 3.93Å; L32-M77 HydrophobicContact CD1-SD 3.97Å; L32-Y80 HydrophobicContact CB-CD2 4.33Å; L32-Y80 HydrophobicContact CB-CE2 3.98Å |
| 33 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.8 | -23.2 | -173.1 | -69.1 | 178.8 | 0 | 0 | 0 | 113.9 | H29 N30 R35 F36 G37 K38 F40 V60 L64 L66 | H29-L33 VanDerWaalsContact O-CB 3.32Å; H29-L33 WeakPolarHBondContact O-CB 3.26Å; H29-L33 WeakPolarHBondContact O-CG 3.2Å; H29-L33 PolarHBondContact O-N 3.39Å; N30-L33 PolarHBondContact O-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 3.12Å; L33-F36 WeakPolarHBondContact O-CA 3.22Å; L33-F36 PolarHBondContact O-N 2.8Å; L33-G37 PolarHBondContact O-N 3.34Å; L33-K38 CarbonylContact C-O 3.49Å; L33-K38 HydrophobicContact CB-CB 4.12Å; L33-K38 WeakPolarHBondContact CB-O 3.49Å; L33-K38 HydrophobicContact CD2-CB 4.28Å; L33-K38 PolarHBondContact O-N 2.84Å; L33-F40 HydrophobicContact CD1-CB 3.75Å; L33-F40 HydrophobicContact CD1-CD2 4.38Å; L33-V60 HydrophobicContact CD2-CG1 4.41Å; L33-L64 HydrophobicContact CD1-CD1 3.76Å; L33-L64 HydrophobicContact CD2-CD1 3.68Å; L33-L64 HydrophobicContact CG-CD1 4.39Å; L33-L66 HydrophobicContact CD2-CD1 3.51Å; L33-L66 HydrophobicContact CD2-CD2 3.8Å; L33-L66 HydrophobicContact CD2-CG 4.3Å |
| 34 | K | 96.9 | Very high | 96.8 | Very high | 169 Ų | 169 | 54.9 Ų | 54.9 | 74% | 0.735 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -52.5 | -41.2 | 179.7 | -177.7 | 176.6 | -179 | 179 | 0 | 112.8 | N30 L32 F36 G37 | N30-K34 VanDerWaalsContact O-CB 3.3Å; N30-K34 WeakPolarHBondContact O-CB 3.36Å; N30-K34 PolarHBondContact O-N 2.93Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.97Å; K34-F36 PolarHBondContact O-N 3.27Å; K34-G37 PolarHBondContact O-N 3.12Å |
| 35 | R | 96 | Very high | 96.7 | Very high | 119 Ų | 119 | 54 Ų | 54 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -68.4 | -18.7 | -179.8 | 77.3 | -169.3 | 173.2 | -162.3 | -3.2 | 113.7 | L32 L33 E76 | L32-R35 WeakPolarHBondContact O-CG 3.44Å; L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 3.12Å; R35-E76 IonicContact CZ-OE1 3.34Å; R35-E76 VanDerWaalsContact CZ-OE1 3.27Å; R35-E76 IonicContact CZ-OE2 2.87Å; R35-E76 IonicContact NH1-OE1 2.67Å; R35-E76 PolarHBondContact NH1-OE1 2.81Å; R35-E76 IonicContact NH1-OE2 3.45Å; R35-E76 PolarHBondContact NH1-OE2 2.89Å; R35-E76 VanDerWaalsContact NH2-CD 3.33Å; R35-E76 IonicContact NH2-OE1 3.27Å; R35-E76 PolarHBondContact NH2-OE1 3.42Å; R35-E76 IonicContact NH2-OE2 2.68Å; R35-E76 PolarHBondContact NH2-OE2 2.85Å |
| 36 | F | 96.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -97 | 2.3 | 175.7 | -56.3 | -59.2 | 0 | 0 | 0 | 112.5 | L32 L33 K34 K38 L66 P67 V68 | L32-F36 HydrophobicContact CD2-CD2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 3.98Å; L33-F36 WeakPolarHBondContact O-CA 3.22Å; L33-F36 PolarHBondContact O-N 2.8Å; K34-F36 PolarHBondContact O-N 3.27Å; F36-K38 HydrophobicContact CB-CG 4.05Å; F36-K38 PolarHBondContact O-N 2.96Å; F36-L66 HydrophobicContact CB-CD2 4.27Å; F36-L66 HydrophobicContact CD2-CD2 3.93Å; F36-L66 HydrophobicContact CG-CD2 4.21Å; F36-P67 HydrophobicContact CD1-CG 3.92Å; F36-P67 HydrophobicContact CE1-CG 3.55Å; F36-P67 HydrophobicContact CZ-CG 4.32Å; F36-V68 HydrophobicContact CE1-CG1 4.42Å; F36-V68 HydrophobicContact CE2-CG1 3.94Å; F36-V68 HydrophobicContact CZ-CG1 3.41Å; F36-V68 VanDerWaalsContact CZ-CG1 3.41Å |
| 37 | G | 97.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 29.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L33 K34 | L33-G37 PolarHBondContact O-N 3.34Å; K34-G37 PolarHBondContact O-N 3.12Å |
| 38 | K | 97.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | trans | -114 | 163.4 | 179.3 | -57.7 | -61.8 | -174.5 | 174.7 | 0 | 110.6 | L33 F36 L64 L66 | L33-K38 CarbonylContact C-O 3.49Å; L33-K38 HydrophobicContact CB-CB 4.12Å; L33-K38 WeakPolarHBondContact CB-O 3.49Å; L33-K38 HydrophobicContact CD2-CB 4.28Å; L33-K38 PolarHBondContact O-N 2.84Å; F36-K38 HydrophobicContact CB-CG 4.05Å; F36-K38 PolarHBondContact O-N 2.96Å; K38-L64 HydrophobicContact CB-CD1 4.12Å; K38-L66 HydrophobicContact CG-CD2 4.28Å | ||
| 39 | T | 97 | Very high | 95.2 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | trans | -129.8 | 141 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | N30 T41 | N30-T39 WeakPolarHBondContact OD1-CG2 3.42Å; T39-T41 PolarHBondContact O-N 2.81Å | ||
| 40 | F | 97.6 | Very high | 94 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | trans | -78.7 | 104 | 172.2 | -167.8 | -120.8 | 0 | 0 | 0 | 109.4 | T26 H29 N30 L33 L44 K45 V60 | T26-F40 HydrophobicContact CG2-CD1 4.11Å; H29-F40 HydrophobicContact CB-CB 3.55Å; H29-F40 HydrophobicContact CB-CD1 3.73Å; H29-F40 HydrophobicContact CB-CD2 3.92Å; H29-F40 HydrophobicContact CB-CE1 4.43Å; H29-F40 HydrophobicContact CB-CG 3.45Å; H29-F40 VanDerWaalsContact CB-CG 3.45Å; H29-F40 AromaticContact CD2-CD2 3.68Å; H29-F40 AromaticContact CD2-CE2 3.75Å; H29-F40 AromaticContact CG-CD1 3.89Å; H29-F40 AromaticContact CG-CD2 3.84Å; H29-F40 AromaticContact CG-CG 3.77Å; N30-F40 PolarHBondContact OD1-N 3.28Å; L33-F40 HydrophobicContact CD1-CB 3.75Å; L33-F40 HydrophobicContact CD1-CD2 4.38Å; F40-L44 HydrophobicContact CD2-CB 4.02Å; F40-L44 HydrophobicContact CD2-CD1 4.23Å; F40-L44 HydrophobicContact CE2-CB 3.7Å; F40-L44 HydrophobicContact CZ-CB 4.47Å; F40-K45 HydrophobicContact CE1-CB 3.69Å; F40-K45 HydrophobicContact CE1-CD 4.28Å; F40-K45 HydrophobicContact CE1-CG 4.05Å; F40-K45 HydrophobicContact CZ-CB 3.75Å; F40-K45 HydrophobicContact CZ-CG 4.3Å; F40-V60 HydrophobicContact CD2-CG2 4.32Å; F40-V60 HydrophobicContact CE2-CG2 3.76Å | ||
| 41 | T | 96.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | trans | -87 | 160.3 | -175.5 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | T39 D43 L44 K45 | T39-T41 PolarHBondContact O-N 2.81Å; T41-D43 PolarHBondContact O-N 3.1Å; T41-L44 PolarHBondContact O-N 3.41Å; T41-L44 PolarHBondContact OG1-N 3.49Å; T41-K45 PolarHBondContact O-N 3.14Å | ||
| 42 | W | 95.2 | Very high | 92.6 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.7 | -36 | 170.7 | 175.2 | -110.6 | 0 | 0 | 0 | 112.7 | K45 A46 M49 D197 R199 | W42-K45 HydrophobicContact CE3-CB 4.33Å; W42-K45 HydrophobicContact CE3-CD 3.95Å; W42-K45 HydrophobicContact CE3-CG 4.35Å; W42-K45 HydrophobicContact CZ3-CD 3.89Å; W42-K45 HydrophobicContact CZ3-CG 4.31Å; W42-K45 PolarHBondContact O-N 2.84Å; W42-A46 HydrophobicContact CZ2-CB 4.47Å; W42-A46 WeakPolarHBondContact O-CB 3.39Å; W42-A46 PolarHBondContact O-N 3.39Å; W42-M49 HydrophobicContact CH2-CE 3.45Å; W42-M49 VanDerWaalsContact CH2-CE 3.45Å; W42-M49 HydrophobicContact CH2-SD 4.45Å; W42-M49 HydrophobicContact CZ2-CE 4.38Å; W42-M49 HydrophobicContact CZ3-CE 3.84Å; W42-D197 HydrophobicContact CH2-CB 3.71Å; W42-D197 HydrophobicContact CZ3-CB 4.18Å; W42-R199 HydrophobicContact CD2-CB 3.82Å; W42-R199 VanDerWaalsContact CE2-CB 3.42Å; W42-R199 HydrophobicContact CE3-CB 4.32Å; W42-R199 HydrophobicContact CG-CB 4.31Å; W42-R199 HydrophobicContact CH2-CB 4.13Å; W42-R199 VanDerWaalsContact CZ2-C 3.45Å; W42-R199 HydrophobicContact CZ2-CB 3.62Å; W42-R199 WeakPolarHBondContact CZ2-O 3.37Å; W42-R199 HydrophobicContact CZ3-CB 4.44Å; W42-R199 PolarHBondContact NE1-O 2.86Å |
| 43 | D | 94.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.1 | 176.4 | 71.9 | 0 | 0 | 0 | 112.2 | T41 K47 | T41-D43 PolarHBondContact O-N 3.1Å; D43-K47 VanDerWaalsContact O-CG 3.28Å; D43-K47 WeakPolarHBondContact O-CG 3.13Å; D43-K47 PolarHBondContact O-N 3.13Å; D43-K47 VanDerWaalsContact O-N 3.09Å; D43-K47 IonicContact OD1-NZ 3.62Å; D43-K47 VanDerWaalsContact OD2-CE 3.31Å; D43-K47 WeakPolarHBondContact OD2-CE 3.29Å; D43-K47 IonicContact OD2-NZ 2.69Å; D43-K47 PolarHBondContact OD2-NZ 3.43Å |
| 44 | L | 95.2 | Very high | 92 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 174.6 | -70.2 | 175.3 | 0 | 0 | 0 | 111.5 | F40 T41 K47 Q48 L59 Q63 L64 | F40-L44 HydrophobicContact CD2-CB 4.02Å; F40-L44 HydrophobicContact CD2-CD1 4.23Å; F40-L44 HydrophobicContact CE2-CB 3.7Å; F40-L44 HydrophobicContact CZ-CB 4.47Å; T41-L44 PolarHBondContact O-N 3.41Å; T41-L44 PolarHBondContact OG1-N 3.49Å; L44-K47 PolarHBondContact O-N 3.05Å; L44-Q48 WeakPolarHBondContact O-CG 3.25Å; L44-Q48 PolarHBondContact O-N 3.11Å; L44-L59 HydrophobicContact CD2-CD2 4.24Å; L44-Q63 HydrophobicContact CD2-CB 3.59Å; L44-Q63 HydrophobicContact CD2-CG 3.97Å; L44-L64 HydrophobicContact CD1-CD1 3.68Å; L44-L64 HydrophobicContact CD1-CD2 3.87Å; L44-L64 HydrophobicContact CD1-CG 3.76Å |
| 45 | K | 94.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.7 | -175 | 171.5 | 177.5 | 168 | 0 | 112 | E22 F40 T41 W42 K47 Q48 M49 | E22-K45 VanDerWaalsContact CB-NZ 3.32Å; E22-K45 PolarHBondContact O-NZ 2.81Å; E22-K45 VanDerWaalsContact O-NZ 3.12Å; E22-K45 WeakPolarHBondContact OE2-CE 3.48Å; E22-K45 IonicContact OE2-NZ 3.48Å; E22-K45 PolarHBondContact OE2-NZ 2.67Å; F40-K45 HydrophobicContact CE1-CB 3.69Å; F40-K45 HydrophobicContact CE1-CD 4.28Å; F40-K45 HydrophobicContact CE1-CG 4.05Å; F40-K45 HydrophobicContact CZ-CB 3.75Å; F40-K45 HydrophobicContact CZ-CG 4.3Å; T41-K45 PolarHBondContact O-N 3.14Å; W42-K45 HydrophobicContact CE3-CB 4.33Å; W42-K45 HydrophobicContact CE3-CD 3.95Å; W42-K45 HydrophobicContact CE3-CG 4.35Å; W42-K45 HydrophobicContact CZ3-CD 3.89Å; W42-K45 HydrophobicContact CZ3-CG 4.31Å; W42-K45 PolarHBondContact O-N 2.84Å; K45-K47 PolarHBondContact O-N 3.39Å; K45-Q48 WeakPolarHBondContact O-CA 3.35Å; K45-Q48 WeakPolarHBondContact O-CB 3.49Å; K45-Q48 PolarHBondContact O-N 2.94Å; K45-M49 HydrophobicContact CG-CE 4.49Å; K45-M49 WeakPolarHBondContact O-CG 3.24Å; K45-M49 PolarHBondContact O-N 3.5Å |
| 46 | A | 91.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 59 Ų | 59 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W42 | W42-A46 HydrophobicContact CZ2-CB 4.47Å; W42-A46 WeakPolarHBondContact O-CB 3.39Å; W42-A46 PolarHBondContact O-N 3.39Å |
| 47 | K | 90.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72 | -25.6 | 173.9 | -73 | 168.6 | 179.4 | 166.9 | 0 | 113.9 | D43 L44 K45 R51 L59 | D43-K47 VanDerWaalsContact O-CG 3.28Å; D43-K47 WeakPolarHBondContact O-CG 3.13Å; D43-K47 PolarHBondContact O-N 3.13Å; D43-K47 VanDerWaalsContact O-N 3.09Å; D43-K47 IonicContact OD1-NZ 3.62Å; D43-K47 VanDerWaalsContact OD2-CE 3.31Å; D43-K47 WeakPolarHBondContact OD2-CE 3.29Å; D43-K47 IonicContact OD2-NZ 2.69Å; D43-K47 PolarHBondContact OD2-NZ 3.43Å; L44-K47 PolarHBondContact O-N 3.05Å; K45-K47 PolarHBondContact O-N 3.39Å; K47-R51 WeakPolarHBondContact O-CD 3.39Å; K47-R51 PolarHBondContact O-NE 2.95Å; K47-L59 HydrophobicContact CB-CD1 3.96Å; K47-L59 HydrophobicContact CB-CD2 4.06Å |
| 48 | Q | 90.5 | Very high | 91.7 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -80.7 | -27.4 | 174.9 | -77.6 | -170.1 | -29.5 | 0 | 0 | 113 | H29 L44 K45 G50 R51 G56 L59 V60 | H29-Q48 PolarHBondContact NE2-NE2 3.14Å; L44-Q48 WeakPolarHBondContact O-CG 3.25Å; L44-Q48 PolarHBondContact O-N 3.11Å; K45-Q48 WeakPolarHBondContact O-CA 3.35Å; K45-Q48 WeakPolarHBondContact O-CB 3.49Å; K45-Q48 PolarHBondContact O-N 2.94Å; Q48-G50 PolarHBondContact O-N 2.75Å; Q48-R51 VanDerWaalsContact O-CB 3.31Å; Q48-R51 WeakPolarHBondContact O-CB 3.47Å; Q48-R51 PolarHBondContact O-N 3.22Å; Q48-G56 PolarHBondContact NE2-O 2.93Å; Q48-L59 HydrophobicContact CG-CD2 4.32Å; Q48-V60 HydrophobicContact CG-CG2 4.24Å |
| 49 | M | 83.4 | Confident | 91.7 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 126.4 | -178.4 | -74.1 | 179 | 168.7 | 0 | 0 | 111.3 | W42 K45 R51 L200 | W42-M49 HydrophobicContact CH2-CE 3.45Å; W42-M49 VanDerWaalsContact CH2-CE 3.45Å; W42-M49 HydrophobicContact CH2-SD 4.45Å; W42-M49 HydrophobicContact CZ2-CE 4.38Å; W42-M49 HydrophobicContact CZ3-CE 3.84Å; K45-M49 HydrophobicContact CG-CE 4.49Å; K45-M49 WeakPolarHBondContact O-CG 3.24Å; K45-M49 PolarHBondContact O-N 3.5Å; M49-R51 VanDerWaalsContact C-N 3.3Å; M49-R51 PolarHBondContact O-N 3.42Å; M49-L200 HydrophobicContact SD-CD1 4.14Å |
| 50 | G | 72.7 | Confident | 91.7 | Very high | 40 Ų | 40 | 48 Ų | 48 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 1.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q48 N180 | Q48-G50 PolarHBondContact O-N 2.75Å; G50-N180 WeakPolarHBondContact CA-ND2 3.47Å; G50-N180 PolarHBondContact O-ND2 3.2Å; G50-N180 VanDerWaalsContact O-ND2 3.09Å |
| 51 | R | 84.1 | Confident | 91.7 | Very high | 138 Ų | 138 | 48.2 Ų | 48.2 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -86 | 158 | 171.3 | -63.4 | -175.7 | -179.8 | -96.9 | -5.6 | 111.3 | K47 Q48 M49 D55 | K47-R51 WeakPolarHBondContact O-CD 3.39Å; K47-R51 PolarHBondContact O-NE 2.95Å; Q48-R51 VanDerWaalsContact O-CB 3.31Å; Q48-R51 WeakPolarHBondContact O-CB 3.47Å; Q48-R51 PolarHBondContact O-N 3.22Å; M49-R51 VanDerWaalsContact C-N 3.3Å; M49-R51 PolarHBondContact O-N 3.42Å; R51-D55 HydrophobicContact CB-CB 4.14Å |
| 52 | S | 83.4 | Confident | 91.8 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | trans | -61.3 | 156.5 | 164.4 | 77.3 | 0 | 0 | 0 | 0 | 110.3 | R54 D55 G56 | S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 2.92Å; S52-D55 PolarHBondContact O-N 3.24Å; S52-D55 WeakPolarHBondContact OG-CB 3.36Å; S52-D55 PolarHBondContact OG-N 3.33Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.47Å; S52-G56 PolarHBondContact O-N 2.78Å | ||
| 53 | E | 88 | Confident | 91.9 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.4 | -47.9 | 175.1 | 178.5 | -175.5 | 73 | 0 | 0 | 111.6 | G56 F57 K115 | E53-G56 PolarHBondContact O-N 3.34Å; E53-F57 HydrophobicContact CG-CD2 3.88Å; E53-F57 HydrophobicContact CG-CE2 3.35Å; E53-F57 HydrophobicContact CG-CZ 3.73Å; E53-F57 WeakPolarHBondContact O-CB 3.4Å; E53-F57 VanDerWaalsContact O-CG 3.31Å; E53-F57 WeakPolarHBondContact O-CG 3.09Å; E53-F57 PolarHBondContact O-N 3.49Å; E53-K115 IonicContact OE1-NZ 2.67Å; E53-K115 PolarHBondContact OE1-NZ 3.02Å; E53-K115 IonicContact OE2-NZ 3.66Å |
| 54 | R | 92.8 | Very high | 92.1 | Very high | 122 Ų | 122 | 48.8 Ų | 48.8 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -46.7 | -179.7 | -67.5 | -172.2 | 65.2 | 87.6 | -2.7 | 111.8 | S52 G56 F57 Q58 L70 D71 I74 | S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 2.92Å; R54-G56 VanDerWaalsContact C-N 3.34Å; R54-F57 PolarHBondContact O-N 3.41Å; R54-Q58 WeakPolarHBondContact O-CB 3.41Å; R54-Q58 PolarHBondContact O-N 2.95Å; R54-L70 HydrophobicContact CB-CD2 4.4Å; R54-D71 IonicContact CZ-OD1 3.33Å; R54-D71 IonicContact NH1-OD1 3.33Å; R54-D71 PolarHBondContact NH1-OD1 3.01Å; R54-D71 IonicContact NH2-OD1 2.62Å; R54-I74 HydrophobicContact CG-CD1 3.96Å |
| 55 | D | 92.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 179.4 | -61.9 | -37.1 | 0 | 0 | 0 | 111.9 | R51 S52 L59 | R51-D55 HydrophobicContact CB-CB 4.14Å; S52-D55 PolarHBondContact O-N 3.24Å; S52-D55 WeakPolarHBondContact OG-CB 3.36Å; S52-D55 PolarHBondContact OG-N 3.33Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.47Å; D55-L59 VanDerWaalsContact O-CB 3.3Å; D55-L59 WeakPolarHBondContact O-CB 3.42Å; D55-L59 PolarHBondContact O-N 3.04Å |
| 56 | G | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q48 S52 E53 R54 L59 V60 | Q48-G56 PolarHBondContact NE2-O 2.93Å; S52-G56 PolarHBondContact O-N 2.78Å; E53-G56 PolarHBondContact O-N 3.34Å; R54-G56 VanDerWaalsContact C-N 3.34Å; G56-L59 WeakPolarHBondContact O-CB 3.17Å; G56-L59 PolarHBondContact O-N 2.91Å; G56-V60 PolarHBondContact O-N 3.39Å |
| 57 | F | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 176.2 | -67.3 | -15.6 | 0 | 0 | 0 | 112 | Y25 H29 E53 R54 L59 V60 I61 L70 M73 I74 M77 M81 | Y25-F57 HydrophobicContact CE2-CE1 4.3Å; Y25-F57 VanDerWaalsContact OH-CE1 3.26Å; Y25-F57 WeakPolarHBondContact OH-CE1 3.41Å; H29-F57 AromaticContact CE1-CE1 3.78Å; H29-F57 AromaticContact NE2-CD1 3.82Å; H29-F57 AromaticContact NE2-CE1 3.74Å; E53-F57 HydrophobicContact CG-CD2 3.88Å; E53-F57 HydrophobicContact CG-CE2 3.35Å; E53-F57 HydrophobicContact CG-CZ 3.73Å; E53-F57 WeakPolarHBondContact O-CB 3.4Å; E53-F57 VanDerWaalsContact O-CG 3.31Å; E53-F57 WeakPolarHBondContact O-CG 3.09Å; E53-F57 PolarHBondContact O-N 3.49Å; R54-F57 PolarHBondContact O-N 3.41Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.4Å; F57-V60 PolarHBondContact O-N 2.84Å; F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 3.01Å; F57-L70 HydrophobicContact CB-CD1 3.71Å; F57-M73 HydrophobicContact CB-CE 3.85Å; F57-M73 HydrophobicContact CB-CG 4.15Å; F57-M73 HydrophobicContact CB-SD 3.76Å; F57-M73 HydrophobicContact CD1-CE 3.69Å; F57-M73 HydrophobicContact CD2-CG 4.5Å; F57-M73 HydrophobicContact CG-CE 3.9Å; F57-M73 HydrophobicContact CG-CG 4.27Å; F57-M73 HydrophobicContact CG-SD 4.28Å; F57-I74 HydrophobicContact CD2-CB 4.46Å; F57-I74 HydrophobicContact CD2-CG1 3.61Å; F57-I74 HydrophobicContact CE2-CG1 4.08Å; F57-M77 HydrophobicContact CD1-CG 4.45Å; F57-M77 HydrophobicContact CE1-CB 4.26Å; F57-M77 HydrophobicContact CE1-CE 4.05Å; F57-M77 HydrophobicContact CE1-CG 3.95Å; F57-M77 HydrophobicContact CE2-CB 3.83Å; F57-M77 HydrophobicContact CE2-CG 4.14Å; F57-M77 HydrophobicContact CZ-CB 3.6Å; F57-M77 HydrophobicContact CZ-CE 4.23Å; F57-M77 HydrophobicContact CZ-CG 3.8Å; F57-M81 HydrophobicContact CZ-CE 4.29Å |
| 58 | Q | 97.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.8 | -172.1 | 62 | 59.8 | 0 | 0 | 111.4 | R54 V60 I61 D62 L70 | R54-Q58 WeakPolarHBondContact O-CB 3.41Å; R54-Q58 PolarHBondContact O-N 2.95Å; Q58-V60 VanDerWaalsContact C-N 3.29Å; Q58-V60 PolarHBondContact O-N 3.27Å; Q58-I61 WeakPolarHBondContact O-CB 3.49Å; Q58-I61 PolarHBondContact O-N 3.45Å; Q58-D62 PolarHBondContact NE2-OD1 3.07Å; Q58-D62 PolarHBondContact O-N 3.32Å; Q58-L70 HydrophobicContact CB-CD1 4.32Å; Q58-L70 HydrophobicContact CB-CD2 4.49Å |
| 59 | L | 97.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 175.1 | 179.7 | 149.8 | 0 | 0 | 0 | 112.1 | L44 K47 Q48 D55 G56 F57 D62 Q63 | L44-L59 HydrophobicContact CD2-CD2 4.24Å; K47-L59 HydrophobicContact CB-CD1 3.96Å; K47-L59 HydrophobicContact CB-CD2 4.06Å; Q48-L59 HydrophobicContact CG-CD2 4.32Å; D55-L59 VanDerWaalsContact O-CB 3.3Å; D55-L59 WeakPolarHBondContact O-CB 3.42Å; D55-L59 PolarHBondContact O-N 3.04Å; G56-L59 WeakPolarHBondContact O-CB 3.17Å; G56-L59 PolarHBondContact O-N 2.91Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.4Å; L59-D62 PolarHBondContact O-N 2.85Å; L59-Q63 HydrophobicContact CD2-CG 3.92Å; L59-Q63 HydrophobicContact CG-CG 4.11Å; L59-Q63 VanDerWaalsContact O-CB 3.25Å; L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 WeakPolarHBondContact O-CG 3.48Å; L59-Q63 PolarHBondContact O-N 3.45Å |
| 60 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 178.9 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | L33 F40 Q48 G56 F57 Q58 D62 L64 L66 M73 | L33-V60 HydrophobicContact CD2-CG1 4.41Å; F40-V60 HydrophobicContact CD2-CG2 4.32Å; F40-V60 HydrophobicContact CE2-CG2 3.76Å; Q48-V60 HydrophobicContact CG-CG2 4.24Å; G56-V60 PolarHBondContact O-N 3.39Å; F57-V60 PolarHBondContact O-N 2.84Å; Q58-V60 VanDerWaalsContact C-N 3.29Å; Q58-V60 PolarHBondContact O-N 3.27Å; V60-D62 VanDerWaalsContact C-N 3.32Å; V60-D62 PolarHBondContact O-N 3.01Å; V60-L64 HydrophobicContact CG1-CD1 4.08Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.19Å; V60-L66 HydrophobicContact CG1-CD1 4.02Å; V60-M73 HydrophobicContact CB-CE 4Å; V60-M73 HydrophobicContact CG1-CE 3.87Å |
| 61 | I | 98.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.6 | -50.6 | 173.6 | -68.1 | 168.5 | 0 | 0 | 0 | 109.9 | F57 Q58 Q65 L66 V68 L70 M73 | F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 3.01Å; Q58-I61 WeakPolarHBondContact O-CB 3.49Å; Q58-I61 PolarHBondContact O-N 3.45Å; I61-Q65 CarbonylContact O-C 3.59Å; I61-Q65 VanDerWaalsContact O-CA 3.25Å; I61-Q65 WeakPolarHBondContact O-CA 3.24Å; I61-Q65 PolarHBondContact O-N 2.98Å; I61-L66 HydrophobicContact CG1-CD1 4.49Å; I61-L66 PolarHBondContact O-N 3.22Å; I61-V68 HydrophobicContact CD1-CG2 4.21Å; I61-V68 HydrophobicContact CG1-CG2 4.01Å; I61-L70 HydrophobicContact CD1-CB 4.23Å; I61-L70 HydrophobicContact CD1-CD1 4.22Å; I61-M73 HydrophobicContact CD1-CB 4Å; I61-M73 HydrophobicContact CD1-CG 4.48Å; I61-M73 HydrophobicContact CD1-SD 3.72Å; I61-M73 HydrophobicContact CG1-SD 3.43Å; I61-M73 WeakPolarHBondContact CG1-SD 3.2Å |
| 62 | D | 98 | Very high | 95.8 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.4 | -48.9 | -175.2 | -63.9 | -16.7 | 0 | 0 | 0 | 111.7 | Q58 L59 V60 L64 Q65 | Q58-D62 PolarHBondContact NE2-OD1 3.07Å; Q58-D62 PolarHBondContact O-N 3.32Å; L59-D62 PolarHBondContact O-N 2.85Å; V60-D62 VanDerWaalsContact C-N 3.32Å; V60-D62 PolarHBondContact O-N 3.01Å; D62-L64 VanDerWaalsContact C-N 3.32Å; D62-L64 PolarHBondContact O-N 2.67Å; D62-Q65 PolarHBondContact O-N 2.82Å |
| 63 | Q | 97.5 | Very high | 96.5 | Very high | 105 Ų | 105 | 57.1 Ų | 57.1 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | -176.9 | -70.1 | -72.4 | -49.7 | 0 | 0 | 112.6 | L44 L59 | L44-Q63 HydrophobicContact CD2-CB 3.59Å; L44-Q63 HydrophobicContact CD2-CG 3.97Å; L59-Q63 HydrophobicContact CD2-CG 3.92Å; L59-Q63 HydrophobicContact CG-CG 4.11Å; L59-Q63 VanDerWaalsContact O-CB 3.25Å; L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 WeakPolarHBondContact O-CG 3.48Å; L59-Q63 PolarHBondContact O-N 3.45Å |
| 64 | L | 97.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -97.8 | -2.2 | 179.8 | -64.6 | -175.6 | 0 | 0 | 0 | 113.8 | L33 K38 L44 V60 D62 L66 | L33-L64 HydrophobicContact CD1-CD1 3.76Å; L33-L64 HydrophobicContact CD2-CD1 3.68Å; L33-L64 HydrophobicContact CG-CD1 4.39Å; K38-L64 HydrophobicContact CB-CD1 4.12Å; L44-L64 HydrophobicContact CD1-CD1 3.68Å; L44-L64 HydrophobicContact CD1-CD2 3.87Å; L44-L64 HydrophobicContact CD1-CG 3.76Å; V60-L64 HydrophobicContact CG1-CD1 4.08Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.19Å; D62-L64 VanDerWaalsContact C-N 3.32Å; D62-L64 PolarHBondContact O-N 2.67Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 HydrophobicContact CB-CD1 4.47Å; L64-L66 HydrophobicContact CB-CD2 3.63Å; L64-L66 HydrophobicContact CB-CG 3.81Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L64-L66 PolarHBondContact O-N 2.87Å |
| 65 | Q | 97.3 | Very high | 97.1 | Very high | 174 Ų | 174 | 53 Ų | 53 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 50.2 | -175.8 | -63.7 | 170.9 | 72 | 0 | 0 | 111.6 | I61 D62 | I61-Q65 CarbonylContact O-C 3.59Å; I61-Q65 VanDerWaalsContact O-CA 3.25Å; I61-Q65 WeakPolarHBondContact O-CA 3.24Å; I61-Q65 PolarHBondContact O-N 2.98Å; D62-Q65 PolarHBondContact O-N 2.82Å |
| 66 | L | 97.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | trans | -74.3 | 135.4 | -175.9 | -56.7 | 179.9 | 0 | 0 | 0 | 110.7 | L33 F36 K38 V60 I61 L64 V68 | L33-L66 HydrophobicContact CD2-CD1 3.51Å; L33-L66 HydrophobicContact CD2-CD2 3.8Å; L33-L66 HydrophobicContact CD2-CG 4.3Å; F36-L66 HydrophobicContact CB-CD2 4.27Å; F36-L66 HydrophobicContact CD2-CD2 3.93Å; F36-L66 HydrophobicContact CG-CD2 4.21Å; K38-L66 HydrophobicContact CG-CD2 4.28Å; V60-L66 HydrophobicContact CG1-CD1 4.02Å; I61-L66 HydrophobicContact CG1-CD1 4.49Å; I61-L66 PolarHBondContact O-N 3.22Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-L66 HydrophobicContact CB-CD1 4.47Å; L64-L66 HydrophobicContact CB-CD2 3.63Å; L64-L66 HydrophobicContact CB-CG 3.81Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L64-L66 PolarHBondContact O-N 2.87Å; L66-V68 HydrophobicContact CB-CG2 3.91Å; L66-V68 PolarHBondContact O-N 3.43Å | ||
| 67 | P | 97.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 67% | 0.669 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -83.2 | 57.1 | 177.6 | 36.1 | -36.7 | 0 | 0 | 0 | 111 | F36 | F36-P67 HydrophobicContact CD1-CG 3.92Å; F36-P67 HydrophobicContact CE1-CG 3.55Å; F36-P67 HydrophobicContact CZ-CG 4.32Å |
| 68 | V | 97.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -137.1 | 151.9 | 178.1 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | F36 I61 L66 M73 | F36-V68 HydrophobicContact CE1-CG1 4.42Å; F36-V68 HydrophobicContact CE2-CG1 3.94Å; F36-V68 HydrophobicContact CZ-CG1 3.41Å; F36-V68 VanDerWaalsContact CZ-CG1 3.41Å; I61-V68 HydrophobicContact CD1-CG2 4.21Å; I61-V68 HydrophobicContact CG1-CG2 4.01Å; L66-V68 HydrophobicContact CB-CG2 3.91Å; L66-V68 PolarHBondContact O-N 3.43Å; V68-M73 HydrophobicContact CG2-CB 4.28Å |
| 69 | T | 98 | Very high | 97.5 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | trans | -78.7 | 159.2 | 169.5 | 73.5 | 0 | 0 | 0 | 0 | 110.5 | D71 D72 M73 | T69-D71 VanDerWaalsContact C-N 3.29Å; T69-D71 PolarHBondContact O-N 2.94Å; T69-D72 PolarHBondContact O-N 3.32Å; T69-D72 WeakPolarHBondContact OG1-CB 3.27Å; T69-D72 PolarHBondContact OG1-N 3.46Å; T69-D72 VanDerWaalsContact OG1-N 3.13Å; T69-D72 PolarHBondContact OG1-OD2 3.02Å; T69-M73 PolarHBondContact O-N 3.19Å | ||
| 70 | L | 98 | Very high | 97.6 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.9 | 177.8 | 58.8 | 0 | 0 | 0 | 111.9 | R54 F57 Q58 I61 M73 I74 | R54-L70 HydrophobicContact CB-CD2 4.4Å; F57-L70 HydrophobicContact CB-CD1 3.71Å; Q58-L70 HydrophobicContact CB-CD1 4.32Å; Q58-L70 HydrophobicContact CB-CD2 4.49Å; I61-L70 HydrophobicContact CD1-CB 4.23Å; I61-L70 HydrophobicContact CD1-CD1 4.22Å; L70-M73 PolarHBondContact O-N 3.2Å; L70-I74 HydrophobicContact CD1-CD1 4.05Å; L70-I74 HydrophobicContact CD1-CG1 4.23Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 HydrophobicContact CG-CG1 4.49Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.14Å |
| 71 | D | 98.2 | Very high | 97.5 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | -178.7 | -65.9 | -24.5 | 0 | 0 | 0 | 111.6 | R54 T69 I74 A75 | R54-D71 IonicContact CZ-OD1 3.33Å; R54-D71 IonicContact NH1-OD1 3.33Å; R54-D71 PolarHBondContact NH1-OD1 3.01Å; R54-D71 IonicContact NH2-OD1 2.62Å; T69-D71 VanDerWaalsContact C-N 3.29Å; T69-D71 PolarHBondContact O-N 2.94Å; D71-I74 PolarHBondContact O-N 2.74Å; D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 2.79Å |
| 72 | D | 97.6 | Very high | 97.5 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 171.7 | -64.6 | -40.7 | 0 | 0 | 0 | 111.3 | T69 I74 A75 E76 | T69-D72 PolarHBondContact O-N 3.32Å; T69-D72 WeakPolarHBondContact OG1-CB 3.27Å; T69-D72 PolarHBondContact OG1-N 3.46Å; T69-D72 VanDerWaalsContact OG1-N 3.13Å; T69-D72 PolarHBondContact OG1-OD2 3.02Å; D72-I74 PolarHBondContact O-N 2.89Å; D72-A75 PolarHBondContact O-N 3.01Å; D72-E76 WeakPolarHBondContact O-CB 3.32Å; D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 2.73Å |
| 73 | M | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.3 | -178.2 | 167.4 | 179 | 0 | 0 | 111.5 | L32 F57 V60 I61 V68 T69 L70 E76 M77 | L32-M73 HydrophobicContact CD1-CG 4.14Å; F57-M73 HydrophobicContact CB-CE 3.85Å; F57-M73 HydrophobicContact CB-CG 4.15Å; F57-M73 HydrophobicContact CB-SD 3.76Å; F57-M73 HydrophobicContact CD1-CE 3.69Å; F57-M73 HydrophobicContact CD2-CG 4.5Å; F57-M73 HydrophobicContact CG-CE 3.9Å; F57-M73 HydrophobicContact CG-CG 4.27Å; F57-M73 HydrophobicContact CG-SD 4.28Å; V60-M73 HydrophobicContact CB-CE 4Å; V60-M73 HydrophobicContact CG1-CE 3.87Å; I61-M73 HydrophobicContact CD1-CB 4Å; I61-M73 HydrophobicContact CD1-CG 4.48Å; I61-M73 HydrophobicContact CD1-SD 3.72Å; I61-M73 HydrophobicContact CG1-SD 3.43Å; I61-M73 WeakPolarHBondContact CG1-SD 3.2Å; V68-M73 HydrophobicContact CG2-CB 4.28Å; T69-M73 PolarHBondContact O-N 3.19Å; L70-M73 PolarHBondContact O-N 3.2Å; M73-E76 PolarHBondContact O-N 3.17Å; M73-M77 HydrophobicContact CE-CG 4.24Å; M73-M77 HydrophobicContact CG-CG 4.04Å; M73-M77 WeakPolarHBondContact O-CB 3.43Å; M73-M77 WeakPolarHBondContact O-CG 3.1Å; M73-M77 PolarHBondContact O-N 2.8Å |
| 74 | I | 96.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.9 | -70.8 | 162.2 | 0 | 0 | 0 | 110.7 | R54 F57 L70 D71 D72 E76 T78 | R54-I74 HydrophobicContact CG-CD1 3.96Å; F57-I74 HydrophobicContact CD2-CB 4.46Å; F57-I74 HydrophobicContact CD2-CG1 3.61Å; F57-I74 HydrophobicContact CE2-CG1 4.08Å; L70-I74 HydrophobicContact CD1-CD1 4.05Å; L70-I74 HydrophobicContact CD1-CG1 4.23Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 HydrophobicContact CG-CG1 4.49Å; L70-I74 VanDerWaalsContact O-CG1 3.26Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.14Å; D71-I74 PolarHBondContact O-N 2.74Å; D72-I74 PolarHBondContact O-N 2.89Å; I74-E76 PolarHBondContact O-N 2.91Å; I74-T78 VanDerWaalsContact O-CB 3.26Å; I74-T78 WeakPolarHBondContact O-CB 3.18Å; I74-T78 PolarHBondContact O-N 2.84Å; I74-T78 PolarHBondContact O-OG1 3.38Å |
| 75 | A | 97.5 | Very high | 97.6 | Very high | 61 Ų | 61 | 55.7 Ų | 55.7 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D71 D72 K79 | D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 2.79Å; D72-A75 PolarHBondContact O-N 3.01Å; A75-K79 PolarHBondContact O-N 3.15Å |
| 76 | E | 97 | Very high | 97.6 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.1 | -44.4 | 178.9 | -71.7 | -164.7 | -119.6 | 0 | 0 | 113.3 | L32 R35 D72 M73 I74 T78 K79 Y80 | L32-E76 HydrophobicContact CD1-CB 3.9Å; R35-E76 IonicContact CZ-OE1 3.34Å; R35-E76 VanDerWaalsContact CZ-OE1 3.27Å; R35-E76 IonicContact CZ-OE2 2.87Å; R35-E76 IonicContact NH1-OE1 2.67Å; R35-E76 PolarHBondContact NH1-OE1 2.81Å; R35-E76 IonicContact NH1-OE2 3.45Å; R35-E76 PolarHBondContact NH1-OE2 2.89Å; R35-E76 VanDerWaalsContact NH2-CD 3.33Å; R35-E76 IonicContact NH2-OE1 3.27Å; R35-E76 PolarHBondContact NH2-OE1 3.42Å; R35-E76 IonicContact NH2-OE2 2.68Å; R35-E76 PolarHBondContact NH2-OE2 2.85Å; D72-E76 WeakPolarHBondContact O-CB 3.32Å; D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 2.73Å; M73-E76 PolarHBondContact O-N 3.17Å; I74-E76 PolarHBondContact O-N 2.91Å; E76-T78 VanDerWaalsContact C-N 3.26Å; E76-T78 PolarHBondContact O-N 2.88Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.98Å; E76-Y80 HydrophobicContact CB-CE2 4.4Å; E76-Y80 WeakPolarHBondContact O-CD2 3.19Å; E76-Y80 PolarHBondContact O-N 3.1Å; E76-Y80 VanDerWaalsContact O-N 3.08Å |
| 77 | M | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 175.2 | -76.9 | -59.9 | -55.8 | 0 | 0 | 110.9 | A28 H29 L32 F57 M73 K79 Y80 M81 | A28-M77 HydrophobicContact CB-CE 3.71Å; H29-M77 WeakPolarHBondContact CE1-CE 3.47Å; H29-M77 VanDerWaalsContact ND1-CE 3.31Å; H29-M77 WeakPolarHBondContact ND1-CE 3.34Å; L32-M77 HydrophobicContact CB-SD 4.28Å; L32-M77 HydrophobicContact CD1-CG 3.93Å; L32-M77 HydrophobicContact CD1-SD 3.97Å; F57-M77 HydrophobicContact CD1-CG 4.45Å; F57-M77 HydrophobicContact CE1-CB 4.26Å; F57-M77 HydrophobicContact CE1-CE 4.05Å; F57-M77 HydrophobicContact CE1-CG 3.95Å; F57-M77 HydrophobicContact CE2-CB 3.83Å; F57-M77 HydrophobicContact CE2-CG 4.14Å; F57-M77 HydrophobicContact CZ-CB 3.6Å; F57-M77 HydrophobicContact CZ-CE 4.23Å; F57-M77 HydrophobicContact CZ-CG 3.8Å; M73-M77 HydrophobicContact CE-CG 4.24Å; M73-M77 HydrophobicContact CG-CG 4.04Å; M73-M77 WeakPolarHBondContact O-CB 3.43Å; M73-M77 WeakPolarHBondContact O-CG 3.1Å; M73-M77 PolarHBondContact O-N 2.8Å; M77-K79 PolarHBondContact O-N 2.98Å; M77-Y80 PolarHBondContact O-N 3.16Å; M77-M81 HydrophobicContact CB-CE 4.27Å; M77-M81 WeakPolarHBondContact O-CB 3.46Å; M77-M81 VanDerWaalsContact O-CG 3.26Å; M77-M81 WeakPolarHBondContact O-CG 3.48Å; M77-M81 PolarHBondContact O-N 3.04Å |
| 78 | T | 96.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.5 | -51.1 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | I74 E76 Y80 M81 E82 F118 | I74-T78 VanDerWaalsContact O-CB 3.26Å; I74-T78 WeakPolarHBondContact O-CB 3.18Å; I74-T78 PolarHBondContact O-N 2.84Å; I74-T78 PolarHBondContact O-OG1 3.38Å; E76-T78 VanDerWaalsContact C-N 3.26Å; E76-T78 PolarHBondContact O-N 2.88Å; T78-Y80 PolarHBondContact O-N 3.17Å; T78-M81 PolarHBondContact O-N 3.26Å; T78-E82 HydrophobicContact CG2-CG 4.29Å; T78-E82 VanDerWaalsContact O-CG 3.28Å; T78-E82 WeakPolarHBondContact O-CG 3.06Å; T78-E82 PolarHBondContact O-N 3.37Å; T78-F118 HydrophobicContact CG2-CE1 4.45Å; T78-F118 HydrophobicContact CG2-CZ 3.98Å |
| 79 | K | 98 | Very high | 97.7 | Very high | 138 Ų | 138 | 50.8 Ų | 50.8 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.3 | -47.2 | 178.8 | -177.9 | -176.1 | 174.5 | -174.5 | 0 | 112.9 | A75 E76 M77 M81 E82 E83 | A75-K79 PolarHBondContact O-N 3.15Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.98Å; M77-K79 PolarHBondContact O-N 2.98Å; K79-M81 VanDerWaalsContact C-N 3.34Å; K79-E82 PolarHBondContact O-N 2.97Å; K79-E83 PolarHBondContact O-N 3.47Å |
| 80 | Y | 98 | Very high | 97.7 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.9 | -65.7 | -53.8 | 0 | 0 | 0 | 112 | M31 L32 E76 M77 T78 E83 L84 | M31-Y80 HydrophobicContact CB-CD1 4.03Å; M31-Y80 HydrophobicContact CB-CD2 4.29Å; M31-Y80 HydrophobicContact CB-CE1 4.03Å; M31-Y80 HydrophobicContact CB-CE2 4.29Å; M31-Y80 HydrophobicContact CB-CG 4.17Å; M31-Y80 HydrophobicContact CE-CD1 3.45Å; M31-Y80 VanDerWaalsContact CE-CD1 3.45Å; M31-Y80 HydrophobicContact CE-CE1 3.66Å; M31-Y80 HydrophobicContact CE-CG 4.46Å; M31-Y80 HydrophobicContact SD-CD1 3.76Å; M31-Y80 HydrophobicContact SD-CE1 4.37Å; M31-Y80 HydrophobicContact SD-CG 4.23Å; L32-Y80 HydrophobicContact CB-CD2 4.33Å; L32-Y80 HydrophobicContact CB-CE2 3.98Å; E76-Y80 HydrophobicContact CB-CE2 4.4Å; E76-Y80 WeakPolarHBondContact O-CD2 3.19Å; E76-Y80 PolarHBondContact O-N 3.1Å; E76-Y80 VanDerWaalsContact O-N 3.08Å; M77-Y80 PolarHBondContact O-N 3.16Å; T78-Y80 PolarHBondContact O-N 3.17Å; Y80-E83 PolarHBondContact O-N 3.27Å; Y80-L84 WeakPolarHBondContact O-CB 3.09Å; Y80-L84 WeakPolarHBondContact O-CD1 3.44Å; Y80-L84 VanDerWaalsContact O-CG 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.45Å; Y80-L84 PolarHBondContact O-N 3.09Å |
| 81 | M | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 175.8 | -75.1 | -171.5 | -61.4 | 0 | 0 | 112.4 | Y25 A28 F57 M77 T78 K79 E83 L84 F85 F118 | Y25-M81 HydrophobicContact CD2-SD 3.72Å; Y25-M81 HydrophobicContact CE2-SD 3.8Å; A28-M81 HydrophobicContact CB-CG 4.09Å; F57-M81 HydrophobicContact CZ-CE 4.29Å; M77-M81 HydrophobicContact CB-CE 4.27Å; M77-M81 WeakPolarHBondContact O-CB 3.46Å; M77-M81 VanDerWaalsContact O-CG 3.26Å; M77-M81 WeakPolarHBondContact O-CG 3.48Å; M77-M81 PolarHBondContact O-N 3.04Å; T78-M81 PolarHBondContact O-N 3.26Å; K79-M81 VanDerWaalsContact C-N 3.34Å; M81-E83 VanDerWaalsContact C-N 3.28Å; M81-E83 PolarHBondContact O-N 2.82Å; M81-L84 PolarHBondContact O-N 2.88Å; M81-F85 HydrophobicContact CB-CD2 3.87Å; M81-F85 HydrophobicContact CB-CE2 3.55Å; M81-F85 HydrophobicContact CB-CZ 3.92Å; M81-F85 HydrophobicContact CG-CE1 4.32Å; M81-F85 HydrophobicContact CG-CE2 3.79Å; M81-F85 HydrophobicContact CG-CZ 3.66Å; M81-F85 VanDerWaalsContact O-CB 3.26Å; M81-F85 WeakPolarHBondContact O-CB 3.42Å; M81-F85 WeakPolarHBondContact O-CD2 3.44Å; M81-F85 VanDerWaalsContact O-CG 3.26Å; M81-F85 WeakPolarHBondContact O-CG 3.23Å; M81-F85 PolarHBondContact O-N 3.45Å; M81-F85 HydrophobicContact SD-CE2 3.7Å; M81-F85 HydrophobicContact SD-CZ 3.58Å; M81-F85 VanDerWaalsContact SD-CZ 3.58Å; M81-F118 HydrophobicContact CB-CE1 3.92Å; M81-F118 HydrophobicContact CB-CZ 4.32Å; M81-F118 HydrophobicContact CE-CE1 4.38Å; M81-F118 HydrophobicContact CE-CE2 4Å; M81-F118 HydrophobicContact CE-CZ 3.66Å |
| 82 | E | 97.8 | Very high | 97.7 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -33.7 | 175 | -69.8 | 179.5 | 154.7 | 0 | 0 | 112.7 | T78 K79 P86 H117 F118 M121 | T78-E82 HydrophobicContact CG2-CG 4.29Å; T78-E82 VanDerWaalsContact O-CG 3.28Å; T78-E82 WeakPolarHBondContact O-CG 3.06Å; T78-E82 PolarHBondContact O-N 3.37Å; K79-E82 PolarHBondContact O-N 2.97Å; E82-P86 WeakPolarHBondContact O-CD 3.48Å; E82-P86 WeakPolarHBondContact O-CG 3.24Å; E82-H117 IonicContact OE1-CD2 3.42Å; E82-H117 IonicContact OE1-CE1 3.89Å; E82-H117 IonicContact OE1-NE2 3.94Å; E82-H117 PolarHBondContact OE1-NE2 3.27Å; E82-F118 HydrophobicContact CG-CE1 4.05Å; E82-M121 HydrophobicContact CB-CE 4.08Å; E82-M121 HydrophobicContact CB-SD 4.07Å; E82-M121 HydrophobicContact CG-CE 3.79Å; E82-M121 HydrophobicContact CG-SD 3.89Å |
| 83 | E | 98 | Very high | 97.8 | Very high | 116 Ų | 116 | 45.4 Ų | 45.4 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72.1 | -39.7 | 175.1 | -175.4 | 177.9 | 165.5 | 0 | 0 | 112.1 | K79 Y80 M81 | K79-E83 PolarHBondContact O-N 3.47Å; Y80-E83 PolarHBondContact O-N 3.27Å; M81-E83 VanDerWaalsContact C-N 3.28Å; M81-E83 PolarHBondContact O-N 2.82Å |
| 84 | L | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -89.8 | -42.7 | -169.6 | -70.8 | 171.4 | 0 | 0 | 0 | 113.7 | H24 E27 A28 M31 Y80 M81 N87 | H24-L84 HydrophobicContact CB-CB 4.14Å; H24-L84 PolarHBondContact CD2-O 3.15Å; H24-L84 WeakPolarHBondContact O-CD1 3.37Å; E27-L84 HydrophobicContact CB-CD1 4.06Å; E27-L84 HydrophobicContact CG-CD1 3.96Å; E27-L84 HydrophobicContact CG-CD2 4.29Å; A28-L84 HydrophobicContact CB-CD1 3.9Å; M31-L84 HydrophobicContact SD-CD1 3.93Å; Y80-L84 WeakPolarHBondContact O-CB 3.09Å; Y80-L84 WeakPolarHBondContact O-CD1 3.44Å; Y80-L84 VanDerWaalsContact O-CG 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.45Å; Y80-L84 PolarHBondContact O-N 3.09Å; M81-L84 PolarHBondContact O-N 2.88Å; L84-N87 WeakPolarHBondContact O-CB 3.44Å; L84-N87 PolarHBondContact O-N 3.39Å |
| 85 | F | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -60.6 | -30.2 | -173.8 | -72.1 | -19.6 | 0 | 0 | 0 | 116.2 | H24 Y25 M81 N87 A88 F118 M121 K122 | H24-F85 HydrophobicContact CB-CD1 3.96Å; H24-F85 HydrophobicContact CB-CE1 4.09Å; Y25-F85 HydrophobicContact CD2-CZ 4.44Å; M81-F85 HydrophobicContact CB-CD2 3.87Å; M81-F85 HydrophobicContact CB-CE2 3.55Å; M81-F85 HydrophobicContact CB-CZ 3.92Å; M81-F85 HydrophobicContact CG-CE1 4.32Å; M81-F85 HydrophobicContact CG-CE2 3.79Å; M81-F85 HydrophobicContact CG-CZ 3.66Å; M81-F85 VanDerWaalsContact O-CB 3.26Å; M81-F85 WeakPolarHBondContact O-CB 3.42Å; M81-F85 WeakPolarHBondContact O-CD2 3.44Å; M81-F85 VanDerWaalsContact O-CG 3.26Å; M81-F85 WeakPolarHBondContact O-CG 3.23Å; M81-F85 PolarHBondContact O-N 3.45Å; M81-F85 HydrophobicContact SD-CE2 3.7Å; M81-F85 HydrophobicContact SD-CZ 3.58Å; M81-F85 VanDerWaalsContact SD-CZ 3.58Å; F85-N87 PolarHBondContact O-N 3.31Å; F85-A88 VanDerWaalsContact O-CB 3.27Å; F85-A88 WeakPolarHBondContact O-CB 3.5Å; F85-A88 PolarHBondContact O-N 3.31Å; F85-F118 HydrophobicContact CD2-CB 4.22Å; F85-F118 AromaticContact CD2-CD1 3.69Å; F85-F118 HydrophobicContact CD2-CD1 3.69Å; F85-F118 HydrophobicContact CD2-CE1 4.34Å; F85-F118 HydrophobicContact CD2-CG 4.16Å; F85-F118 HydrophobicContact CE2-CB 4.29Å; F85-F118 AromaticContact CE2-CD1 3.86Å; F85-F118 HydrophobicContact CE2-CD1 3.86Å; F85-F118 HydrophobicContact CE2-CE1 4.33Å; F85-F118 HydrophobicContact CE2-CG 4.05Å; F85-M121 HydrophobicContact CB-CB 4.23Å; F85-K122 HydrophobicContact CB-CG 3.84Å; F85-K122 HydrophobicContact CD1-CG 4.45Å; F85-K122 HydrophobicContact CD2-CD 4.35Å; F85-K122 HydrophobicContact CD2-CG 4.12Å; F85-K122 HydrophobicContact CG-CG 3.91Å |
| 86 | P | 98 | Very high | 97.9 | Very high | 44 Ų | 44 | 48 Ų | 48 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -59.3 | -15.3 | 170.6 | -26.3 | 36.4 | 0 | 0 | 0 | 114.4 | E82 M121 K125 | E82-P86 WeakPolarHBondContact O-CD 3.48Å; E82-P86 WeakPolarHBondContact O-CG 3.24Å; P86-M121 HydrophobicContact CG-CB 4.39Å; P86-K125 WeakPolarHBondContact O-CD 3.41Å; P86-K125 WeakPolarHBondContact O-CE 3.08Å; P86-K125 PolarHBondContact O-NZ 3.29Å |
| 87 | N | 97.5 | Very high | 98 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -100.7 | 2.4 | 178.2 | -58.8 | -47.7 | 0 | 0 | 0 | 113.6 | L84 F85 K125 | L84-N87 WeakPolarHBondContact O-CB 3.44Å; L84-N87 PolarHBondContact O-N 3.39Å; F85-N87 PolarHBondContact O-N 3.31Å; N87-K125 PolarHBondContact OD1-NZ 3.49Å |
| 88 | A | 97.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | trans | -59.3 | 140.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I19 T21 F85 H126 | I19-A88 HydrophobicContact CG2-CB 3.35Å; T21-A88 HydrophobicContact CG2-CB 4.46Å; F85-A88 VanDerWaalsContact O-CB 3.27Å; F85-A88 WeakPolarHBondContact O-CB 3.5Å; F85-A88 PolarHBondContact O-N 3.31Å; A88-H126 PolarHBondContact O-NE2 3.41Å | ||
| 89 | V | 98.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | trans | -113.1 | 156 | -177.5 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | I19 N20 | I19-V89 CarbonylContact C-O 3.57Å; I19-V89 WeakPolarHBondContact CA-O 3.19Å; N20-V89 HydrophobicContact CB-CG2 4.17Å; N20-V89 PolarHBondContact N-O 3.39Å | ||
| 90 | L | 98.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 144.2 | 174.3 | -66.8 | 172.7 | 0 | 0 | 0 | 111 | L18 I19 A94 E95 H126 V129 F130 | L18-L90 CarbonylContact O-C 3.56Å; L18-L90 VanDerWaalsContact O-CA 3.32Å; L18-L90 WeakPolarHBondContact O-CA 3.21Å; L18-L90 WeakPolarHBondContact O-CD2 3.37Å; I19-L90 HydrophobicContact CG1-CD2 4.12Å; L90-A94 HydrophobicContact CB-CB 4.49Å; L90-E95 HydrophobicContact CD1-CB 4Å; L90-H126 HydrophobicContact CD2-CB 4.12Å; L90-H126 HydrophobicContact CG-CB 4.42Å; L90-V129 HydrophobicContact CD1-CG2 3.77Å; L90-F130 HydrophobicContact CD2-CE2 4.02Å |
| 91 | M | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 26% | 0.256 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 151.3 | 170.8 | -70.2 | -64.1 | -75.1 | 0 | 0 | 110.7 | G16 L17 L18 N20 G93 A94 | G16-M91 WeakPolarHBondContact O-CE 3.4Å; L17-M91 WeakPolarHBondContact O-CB 3.46Å; L17-M91 WeakPolarHBondContact O-CG 3.48Å; L18-M91 PolarHBondContact O-N 3.29Å; N20-M91 HydrophobicContact CB-SD 3.57Å; N20-M91 VanDerWaalsContact CB-SD 3.57Å; M91-G93 PolarHBondContact O-N 3.37Å; M91-A94 HydrophobicContact CB-CB 4.41Å; M91-A94 VanDerWaalsContact O-CB 3.24Å; M91-A94 WeakPolarHBondContact O-CB 3.24Å; M91-A94 PolarHBondContact O-N 3.46Å |
| 92 | P | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 51% | 0.506 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.8 | 178.4 | -25.3 | 34.4 | 0 | 0 | 0 | 112.1 | A94 S214 L215 L216 | P92-A94 VanDerWaalsContact C-N 3.33Å; P92-A94 PolarHBondContact O-N 3.49Å; P92-S214 PolarHBondContact O-OG 3.08Å; P92-L215 WeakPolarHBondContact O-CB 3.34Å; P92-L216 HydrophobicContact CB-CD1 3.84Å; P92-L216 HydrophobicContact CB-CG 4.2Å |
| 93 | G | 98.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -7.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | M91 R96 L97 | M91-G93 PolarHBondContact O-N 3.37Å; G93-R96 PolarHBondContact O-N 2.97Å; G93-L97 WeakPolarHBondContact O-CB 3.38Å; G93-L97 PolarHBondContact O-N 2.95Å |
| 94 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -54.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L18 L90 M91 P92 R96 L97 V98 L215 | L18-A94 HydrophobicContact CD2-CB 3.86Å; L90-A94 HydrophobicContact CB-CB 4.49Å; M91-A94 HydrophobicContact CB-CB 4.41Å; M91-A94 VanDerWaalsContact O-CB 3.24Å; M91-A94 WeakPolarHBondContact O-CB 3.24Å; M91-A94 PolarHBondContact O-N 3.46Å; P92-A94 VanDerWaalsContact C-N 3.33Å; P92-A94 PolarHBondContact O-N 3.49Å; A94-R96 PolarHBondContact O-N 3.38Å; A94-L97 PolarHBondContact O-N 2.72Å; A94-V98 WeakPolarHBondContact O-CB 3.21Å; A94-V98 WeakPolarHBondContact O-CG2 3.31Å; A94-V98 PolarHBondContact O-N 3.43Å; A94-L215 HydrophobicContact CB-CD1 3.92Å |
| 95 | E | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 176.4 | 176.2 | 169.1 | -166.8 | 0 | 0 | 111.5 | L90 L97 V98 V99 H128 V129 | L90-E95 HydrophobicContact CD1-CB 4Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.08Å; E95-V98 PolarHBondContact O-N 3.43Å; E95-V99 HydrophobicContact CG-CG2 3.92Å; E95-V99 VanDerWaalsContact O-CB 3.27Å; E95-V99 WeakPolarHBondContact O-CB 3.15Å; E95-V99 VanDerWaalsContact O-CG2 3.24Å; E95-V99 WeakPolarHBondContact O-CG2 3.45Å; E95-V99 PolarHBondContact O-N 3.02Å; E95-H128 IonicContact OE1-CD2 3.22Å; E95-H128 IonicContact OE1-NE2 2.7Å; E95-V129 HydrophobicContact CB-CG2 3.85Å; E95-V129 HydrophobicContact CG-CG2 3.71Å |
| 96 | R | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.5 | -49.3 | -179.5 | -176.4 | -172.6 | 70.7 | 173.4 | 17.1 | 111.5 | G93 A94 H100 L215 L216 F228 H232 | G93-R96 PolarHBondContact O-N 2.97Å; A94-R96 PolarHBondContact O-N 3.38Å; R96-H100 WeakPolarHBondContact O-CB 3.43Å; R96-H100 PolarHBondContact O-N 3.08Å; R96-L215 PolarHBondContact NH2-O 3.41Å; R96-L216 PolarHBondContact NH2-O 3.33Å; R96-F228 HydrophobicContact CG-CE1 4.11Å; R96-H232 WeakPolarHBondContact CD-CD2 3.41Å; R96-H232 WeakPolarHBondContact CD-NE2 3.48Å; R96-H232 PolarHBondContact NH1-CD2 3.18Å; R96-H232 VanDerWaalsContact NH1-CD2 3.32Å |
| 97 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -47.7 | -178 | 178.1 | 57.2 | 0 | 0 | 0 | 111.7 | F12 G93 A94 E95 H100 L101 F175 L215 F218 F228 | F12-L97 HydrophobicContact CE1-CD2 3.68Å; F12-L97 HydrophobicContact CE1-CG 4.26Å; F12-L97 HydrophobicContact CZ-CD2 3.89Å; F12-L97 HydrophobicContact CZ-CG 4.01Å; G93-L97 WeakPolarHBondContact O-CB 3.38Å; G93-L97 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 2.72Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.08Å; L97-H100 PolarHBondContact O-N 2.92Å; L97-L101 HydrophobicContact CD1-CD1 3.89Å; L97-L101 HydrophobicContact CD1-CD2 4.44Å; L97-L101 HydrophobicContact CD1-CG 3.95Å; L97-L101 HydrophobicContact CG-CD1 4.12Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.43Å; L97-F175 HydrophobicContact CD2-CD1 4.34Å; L97-F175 HydrophobicContact CD2-CE1 3.75Å; L97-F175 HydrophobicContact CD2-CE2 4.26Å; L97-F175 HydrophobicContact CD2-CZ 3.71Å; L97-L215 HydrophobicContact CD2-CD2 3.96Å; L97-F218 HydrophobicContact CD1-CD1 3.74Å; L97-F218 HydrophobicContact CD1-CE1 4.03Å; L97-F218 HydrophobicContact CD2-CD1 4.22Å; L97-F228 HydrophobicContact CD1-CZ 3.95Å |
| 98 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | -179.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L18 A94 E95 H100 L101 S102 I108 V129 L132 F133 | L18-V98 HydrophobicContact CD2-CG2 4.13Å; A94-V98 WeakPolarHBondContact O-CB 3.21Å; A94-V98 WeakPolarHBondContact O-CG2 3.31Å; A94-V98 PolarHBondContact O-N 3.43Å; E95-V98 PolarHBondContact O-N 3.43Å; V98-H100 VanDerWaalsContact C-N 3.32Å; V98-H100 PolarHBondContact O-N 3.43Å; V98-L101 PolarHBondContact O-N 2.94Å; V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 2.6Å; V98-I108 HydrophobicContact CG1-CD1 3.7Å; V98-V129 HydrophobicContact CB-CG1 3.96Å; V98-V129 HydrophobicContact CG1-CG1 3.75Å; V98-V129 HydrophobicContact CG2-CG1 4.19Å; V98-L132 HydrophobicContact CG1-CB 4.09Å; V98-L132 HydrophobicContact CG1-CD1 4.04Å; V98-F133 HydrophobicContact CG1-CD2 4.4Å; V98-F133 HydrophobicContact CG1-CE2 3.83Å; V98-F133 HydrophobicContact CG1-CZ 4.4Å; V98-F133 HydrophobicContact CG2-CE2 4.08Å; V98-F133 HydrophobicContact CG2-CZ 3.94Å |
| 99 | V | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | E95 K103 L132 | E95-V99 HydrophobicContact CG-CG2 3.92Å; E95-V99 VanDerWaalsContact O-CB 3.27Å; E95-V99 WeakPolarHBondContact O-CB 3.15Å; E95-V99 VanDerWaalsContact O-CG2 3.24Å; E95-V99 WeakPolarHBondContact O-CG2 3.45Å; E95-V99 PolarHBondContact O-N 3.02Å; V99-K103 VanDerWaalsContact O-CB 3.26Å; V99-K103 WeakPolarHBondContact O-CB 3.49Å; V99-K103 PolarHBondContact O-N 3.09Å; V99-L132 HydrophobicContact CB-CD1 4.44Å; V99-L132 HydrophobicContact CG2-CD1 3.79Å |
| 100 | H | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.06 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 177.6 | 179.5 | 80.4 | 0 | 0 | 0 | 112 | R96 L97 V98 S102 K103 Y104 P226 S227 F228 | R96-H100 WeakPolarHBondContact O-CB 3.43Å; R96-H100 PolarHBondContact O-N 3.08Å; L97-H100 PolarHBondContact O-N 2.92Å; V98-H100 VanDerWaalsContact C-N 3.32Å; V98-H100 PolarHBondContact O-N 3.43Å; H100-S102 VanDerWaalsContact C-N 3.32Å; H100-S102 PolarHBondContact O-N 2.78Å; H100-K103 WeakPolarHBondContact O-CB 3.45Å; H100-K103 PolarHBondContact O-N 2.67Å; H100-Y104 AromaticContact CE1-CD2 3.57Å; H100-Y104 AromaticContact CE1-CE2 3.26Å; H100-Y104 WeakPolarHBondContact CE1-CE2 3.33Å; H100-Y104 AromaticContact ND1-CD2 3.85Å; H100-Y104 AromaticContact ND1-CE2 3.58Å; H100-Y104 AromaticContact NE2-CD2 3.88Å; H100-Y104 AromaticContact NE2-CE2 4Å; H100-Y104 VanDerWaalsContact O-CD2 3.32Å; H100-Y104 WeakPolarHBondContact O-CD2 3.41Å; H100-Y104 PolarHBondContact O-N 2.96Å; H100-P226 PolarHBondContact NE2-O 3.45Å; H100-S227 PolarHBondContact CE1-O 3.36Å; H100-F228 HydrophobicContact CB-CD1 4Å; H100-F228 HydrophobicContact CB-CE1 3.6Å; H100-F228 AromaticContact CD2-CD1 3.85Å; H100-F228 AromaticContact CD2-CE1 3.72Å; H100-F228 AromaticContact CE1-CD1 3.87Å; H100-F228 AromaticContact CG-CD1 3.54Å; H100-F228 AromaticContact CG-CE1 3.51Å; H100-F228 AromaticContact ND1-CD1 3.57Å |
| 101 | L | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 179 | -67.4 | 175.7 | 0 | 0 | 0 | 111.7 | V10 F12 L97 V98 Y104 N105 V106 I108 L225 | V10-L101 HydrophobicContact CB-CD1 4.18Å; V10-L101 HydrophobicContact CG1-CD1 4.13Å; V10-L101 HydrophobicContact CG2-CD1 3.99Å; F12-L101 HydrophobicContact CE2-CD1 3.91Å; F12-L101 HydrophobicContact CZ-CD1 3.68Å; L97-L101 HydrophobicContact CD1-CD1 3.89Å; L97-L101 HydrophobicContact CD1-CD2 4.44Å; L97-L101 HydrophobicContact CD1-CG 3.95Å; L97-L101 HydrophobicContact CG-CD1 4.12Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.43Å; V98-L101 PolarHBondContact O-N 2.94Å; L101-Y104 CarbonylContact O-C 3.58Å; L101-Y104 PolarHBondContact O-N 2.97Å; L101-N105 PolarHBondContact O-N 2.82Å; L101-V106 HydrophobicContact CB-CB 4.14Å; L101-V106 HydrophobicContact CD2-CB 4.19Å; L101-V106 HydrophobicContact CD2-CG1 4.24Å; L101-V106 HydrophobicContact CD2-CG2 4.17Å; L101-V106 PolarHBondContact O-N 2.71Å; L101-I108 HydrophobicContact CB-CG2 3.78Å; L101-I108 HydrophobicContact CD1-CG2 3.85Å; L101-I108 HydrophobicContact CG-CG2 4.47Å; L101-L225 HydrophobicContact CD2-CD1 4.04Å |
| 102 | S | 98 | Very high | 98.3 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | V98 H100 Y104 N105 | V98-S102 WeakPolarHBondContact O-CB 3.41Å; V98-S102 PolarHBondContact O-N 2.6Å; H100-S102 VanDerWaalsContact C-N 3.32Å; H100-S102 PolarHBondContact O-N 2.78Å; S102-Y104 PolarHBondContact O-N 3.05Å; S102-N105 PolarHBondContact O-N 3.18Å |
| 103 | K | 97.7 | Very high | 98 | Very high | 134 Ų | 134 | 35 Ų | 35 | 58% | 0.583 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -56.2 | -34.3 | 176.8 | 175.7 | -176.5 | 174.4 | -174.2 | 0 | 112.7 | V99 H100 | V99-K103 VanDerWaalsContact O-CB 3.26Å; V99-K103 WeakPolarHBondContact O-CB 3.49Å; V99-K103 PolarHBondContact O-N 3.09Å; H100-K103 WeakPolarHBondContact O-CB 3.45Å; H100-K103 PolarHBondContact O-N 2.67Å |
| 104 | Y | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 33% | 0.333 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 13.2 | 178.3 | -74.4 | -83.8 | 0 | 0 | 0 | 113.9 | H100 L101 S102 V106 P226 T229 | H100-Y104 AromaticContact CE1-CD2 3.57Å; H100-Y104 AromaticContact CE1-CE2 3.26Å; H100-Y104 WeakPolarHBondContact CE1-CE2 3.33Å; H100-Y104 AromaticContact ND1-CD2 3.85Å; H100-Y104 AromaticContact ND1-CE2 3.58Å; H100-Y104 AromaticContact NE2-CD2 3.88Å; H100-Y104 AromaticContact NE2-CE2 4Å; H100-Y104 VanDerWaalsContact O-CD2 3.32Å; H100-Y104 WeakPolarHBondContact O-CD2 3.41Å; H100-Y104 PolarHBondContact O-N 2.96Å; L101-Y104 CarbonylContact O-C 3.58Å; L101-Y104 PolarHBondContact O-N 2.97Å; S102-Y104 PolarHBondContact O-N 3.05Å; Y104-V106 PolarHBondContact O-N 2.88Å; Y104-P226 HydrophobicContact CD1-CB 3.7Å; Y104-P226 HydrophobicContact CD1-CG 3.84Å; Y104-P226 HydrophobicContact CD2-CB 4.11Å; Y104-P226 HydrophobicContact CE1-CB 4.01Å; Y104-P226 HydrophobicContact CE2-CB 4.43Å; Y104-P226 HydrophobicContact CG-CB 3.76Å; Y104-P226 HydrophobicContact CG-CG 3.85Å; Y104-T229 WeakPolarHBondContact OH-CG2 3.25Å |
| 105 | N | 97.7 | Very high | 97.6 | Very high | 145 Ų | 145 | 38.8 Ų | 38.8 | 78% | 0.775 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.5 | 179.4 | -53.1 | -64.2 | 0 | 0 | 0 | 113.9 | L101 S102 P107 | L101-N105 PolarHBondContact O-N 2.82Å; S102-N105 PolarHBondContact O-N 3.18Å; N105-P107 WeakPolarHBondContact O-CD 3.12Å |
| 106 | V | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | trans | -76.5 | 119.6 | 169 | -179 | 0 | 0 | 0 | 0 | 107.4 | V10 L101 Y104 I108 L225 | V10-V106 HydrophobicContact CG2-CG1 3.95Å; L101-V106 HydrophobicContact CB-CB 4.14Å; L101-V106 HydrophobicContact CD2-CB 4.19Å; L101-V106 HydrophobicContact CD2-CG1 4.24Å; L101-V106 HydrophobicContact CD2-CG2 4.17Å; L101-V106 PolarHBondContact O-N 2.71Å; Y104-V106 PolarHBondContact O-N 2.88Å; V106-I108 WeakPolarHBondContact O-CG2 3.48Å; V106-I108 PolarHBondContact O-N 3.12Å; V106-L225 HydrophobicContact CG1-CD2 3.94Å; V106-L225 HydrophobicContact CG2-CD2 4.05Å | ||
| 107 | P | 98.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | trans | -61.2 | 125.6 | 176 | -22.7 | 33.8 | 0 | 0 | 0 | 111 | T8 V10 N105 F162 | T8-P107 WeakPolarHBondContact O-CD 3.27Å; V10-P107 PolarHBondContact N-O 2.58Å; N105-P107 WeakPolarHBondContact O-CD 3.12Å; P107-F162 HydrophobicContact CB-CD1 3.71Å; P107-F162 HydrophobicContact CB-CE1 3.7Å | ||
| 108 | I | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.9 | 178.3 | 66.8 | 178 | 0 | 0 | 0 | 111.2 | V10 F12 V98 L101 V106 F133 H134 | V10-I108 HydrophobicContact CB-CG2 4.02Å; V10-I108 CarbonylContact O-C 3.49Å; V10-I108 VanDerWaalsContact O-CA 3.22Å; V10-I108 WeakPolarHBondContact O-CA 3.28Å; F12-I108 HydrophobicContact CE2-CB 4.26Å; F12-I108 HydrophobicContact CE2-CG2 4.18Å; V98-I108 HydrophobicContact CG1-CD1 3.7Å; L101-I108 HydrophobicContact CB-CG2 3.78Å; L101-I108 HydrophobicContact CD1-CG2 3.85Å; L101-I108 HydrophobicContact CG-CG2 4.47Å; V106-I108 WeakPolarHBondContact O-CG2 3.48Å; V106-I108 PolarHBondContact O-N 3.12Å; I108-F133 HydrophobicContact CD1-CD1 4.39Å; I108-F133 HydrophobicContact CD1-CD2 4.43Å; I108-F133 HydrophobicContact CD1-CE1 4.49Å; I108-F133 HydrophobicContact CD1-CG 4.39Å; I108-F133 HydrophobicContact CG1-CD1 4.13Å; I108-F133 HydrophobicContact CG1-CG 4.32Å; I108-H134 WeakPolarHBondContact O-CB 3.45Å; I108-H134 PolarHBondContact O-N 3.24Å |
| 109 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V10 I11 F12 H135 F162 | V10-A109 PolarHBondContact O-N 2.64Å; I11-A109 CarbonylContact C-O 3.54Å; I11-A109 WeakPolarHBondContact CA-O 3.46Å; I11-A109 HydrophobicContact CG1-CB 4.49Å; F12-A109 PolarHBondContact N-O 3.15Å; A109-H135 WeakPolarHBondContact CA-O 3.26Å; A109-H135 WeakPolarHBondContact CB-CE1 3.26Å; A109-H135 WeakPolarHBondContact CB-NE2 3.41Å; A109-F162 HydrophobicContact CB-CE1 3.66Å; A109-F162 HydrophobicContact CB-CE2 3.93Å; A109-F162 HydrophobicContact CB-CZ 3.25Å |
| 110 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.6 | 176.8 | -168.1 | 76.2 | 0 | 0 | 0 | 108.8 | F12 M14 L18 Y119 F130 F133 H135 R136 V137 | F12-L110 HydrophobicContact CB-CD1 4.41Å; F12-L110 WeakPolarHBondContact O-CA 3.04Å; M14-L110 HydrophobicContact CB-CD1 3.93Å; M14-L110 HydrophobicContact CB-CD2 4.49Å; M14-L110 HydrophobicContact CB-CG 4.46Å; M14-L110 HydrophobicContact CG-CD1 4.3Å; M14-L110 HydrophobicContact SD-CD2 4.04Å; L18-L110 HydrophobicContact CD1-CD1 3.71Å; L110-Y119 HydrophobicContact CD2-CD2 4.09Å; L110-Y119 HydrophobicContact CD2-CE2 3.5Å; L110-Y119 VanDerWaalsContact CD2-CE2 3.5Å; L110-F130 HydrophobicContact CD1-CE1 4.12Å; L110-F130 HydrophobicContact CD2-CD1 4.21Å; L110-F130 HydrophobicContact CD2-CE1 4.06Å; L110-F133 HydrophobicContact CB-CD1 3.83Å; L110-F133 HydrophobicContact CB-CE1 4.03Å; L110-F133 HydrophobicContact CB-CG 4.46Å; L110-F133 HydrophobicContact CD1-CE1 3.98Å; L110-F133 HydrophobicContact CD1-CZ 4.15Å; L110-H135 PolarHBondContact N-O 2.69Å; L110-H135 VanDerWaalsContact N-O 3.15Å; L110-R136 HydrophobicContact CB-CB 4.19Å; L110-R136 HydrophobicContact CB-CG 4.03Å; L110-R136 HydrophobicContact CD2-CB 4.49Å; L110-R136 HydrophobicContact CD2-CG 4.27Å; L110-R136 CarbonylContact O-C 3.51Å; L110-R136 WeakPolarHBondContact O-CA 3.43Å; L110-V137 PolarHBondContact O-N 2.98Å |
| 111 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 99.7 | 173 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | I11 F12 V137 Y155 C158 | I11-C111 HydrophobicContact CG2-CB 3.59Å; F12-C111 PolarHBondContact O-N 3.01Å; C111-V137 WeakPolarHBondContact CA-O 3.25Å; C111-Y155 HydrophobicContact CB-CD1 4.11Å; C111-Y155 HydrophobicContact CB-CE1 3.81Å; C111-C158 HydrophobicContact CB-CB 4.18Å |
| 112 | S | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.8 | -171.3 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | D15 S114 V137 T139 | D15-S112 PolarHBondContact OD2-OG 3.46Å; S112-S114 PolarHBondContact O-N 3.3Å; S112-S114 WeakPolarHBondContact OG-CB 3.36Å; S112-S114 PolarHBondContact OG-N 2.97Å; S112-V137 PolarHBondContact N-O 3.09Å; S112-T139 PolarHBondContact O-N 3.27Å |
| 113 | G | 93.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 46% | 0.464 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -76.8 | 0.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P140 | G113-P140 WeakPolarHBondContact O-CG 3.34Š|
| 114 | S | 93.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -74.5 | 139.8 | 177.9 | -83.4 | 0 | 0 | 0 | 0 | 112.4 | D15 S112 K122 P140 | D15-S114 PolarHBondContact OD1-OG 2.96Å; D15-S114 PolarHBondContact OD2-OG 3.11Å; S112-S114 PolarHBondContact O-N 3.3Å; S112-S114 WeakPolarHBondContact OG-CB 3.36Å; S112-S114 PolarHBondContact OG-N 2.97Å; S114-K122 PolarHBondContact OG-NZ 3.38Å; S114-P140 WeakPolarHBondContact O-CD 3.47Å |
| 115 | K | 94.5 | Very high | 97.4 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | trans | -63.4 | 147.8 | 164.8 | -63 | 175.2 | -170 | 156.1 | 0 | 110.3 | E53 H117 F118 Y119 P140 D141 | E53-K115 IonicContact OE1-NZ 2.67Å; E53-K115 PolarHBondContact OE1-NZ 3.02Å; E53-K115 IonicContact OE2-NZ 3.66Å; K115-H117 PolarHBondContact O-N 3.44Å; K115-H117 VanDerWaalsContact O-N 3.17Å; K115-F118 HydrophobicContact CB-CD2 4.37Å; K115-F118 PolarHBondContact O-N 2.93Å; K115-Y119 PolarHBondContact O-N 2.81Å; K115-P140 HydrophobicContact CG-CB 3.99Å; K115-P140 HydrophobicContact CG-CG 4.26Å; K115-D141 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 116 | A | 97.1 | Very high | 97.4 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -52.4 | -41.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F118 Y119 E120 L138 D141 | A116-F118 PolarHBondContact O-N 3.4Å; A116-Y119 WeakPolarHBondContact O-CB 3.26Å; A116-Y119 PolarHBondContact O-N 2.91Å; A116-E120 PolarHBondContact O-N 3.48Å; A116-L138 HydrophobicContact CB-CD1 3.95Å; A116-D141 PolarHBondContact N-OD2 3.34Å |
| 117 | H | 97.1 | Very high | 97.4 | Very high | 94 Ų | 94 | 35.8 Ų | 35.8 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -54.3 | -52.1 | 174.8 | 178.7 | 66.6 | 0 | 0 | 0 | 113.1 | E82 K115 E120 M121 | E82-H117 IonicContact OE1-CD2 3.42Å; E82-H117 IonicContact OE1-CE1 3.89Å; E82-H117 IonicContact OE1-NE2 3.94Å; E82-H117 PolarHBondContact OE1-NE2 3.27Å; K115-H117 PolarHBondContact O-N 3.44Å; K115-H117 VanDerWaalsContact O-N 3.17Å; H117-E120 PolarHBondContact O-N 3.32Å; H117-M121 WeakPolarHBondContact CE1-CE 3.24Å; H117-M121 VanDerWaalsContact NE2-CE 3.33Å; H117-M121 WeakPolarHBondContact NE2-CE 3.29Å; H117-M121 PolarHBondContact O-N 3.06Å |
| 118 | F | 97.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73 | -33.9 | 179.8 | -68.3 | -50.4 | 0 | 0 | 0 | 112.3 | T78 M81 E82 F85 K115 A116 E120 M121 K122 | T78-F118 HydrophobicContact CG2-CE1 4.45Å; T78-F118 HydrophobicContact CG2-CZ 3.98Å; M81-F118 HydrophobicContact CB-CE1 3.92Å; M81-F118 HydrophobicContact CB-CZ 4.32Å; M81-F118 HydrophobicContact CE-CE1 4.38Å; M81-F118 HydrophobicContact CE-CE2 4Å; M81-F118 HydrophobicContact CE-CZ 3.66Å; E82-F118 HydrophobicContact CG-CE1 4.05Å; F85-F118 HydrophobicContact CD2-CB 4.22Å; F85-F118 AromaticContact CD2-CD1 3.69Å; F85-F118 HydrophobicContact CD2-CD1 3.69Å; F85-F118 HydrophobicContact CD2-CE1 4.34Å; F85-F118 HydrophobicContact CD2-CG 4.16Å; F85-F118 HydrophobicContact CE2-CB 4.29Å; F85-F118 AromaticContact CE2-CD1 3.86Å; F85-F118 HydrophobicContact CE2-CD1 3.86Å; F85-F118 HydrophobicContact CE2-CE1 4.33Å; F85-F118 HydrophobicContact CE2-CG 4.05Å; K115-F118 HydrophobicContact CB-CD2 4.37Å; K115-F118 PolarHBondContact O-N 2.93Å; A116-F118 PolarHBondContact O-N 3.4Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.04Å; F118-M121 HydrophobicContact CD1-SD 4.28Å; F118-M121 PolarHBondContact O-N 3.21Å; F118-K122 WeakPolarHBondContact O-CB 3.24Å; F118-K122 VanDerWaalsContact O-CD 3.31Å; F118-K122 WeakPolarHBondContact O-CD 3.19Å; F118-K122 WeakPolarHBondContact O-CG 3.46Å; F118-K122 PolarHBondContact O-N 3.42Å |
| 119 | Y | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.2 | -46.3 | 172.5 | 166.6 | -92 | 0 | 0 | 0 | 111.6 | M14 L110 K115 A116 M121 K122 T123 F130 R136 L138 | M14-Y119 HydrophobicContact CE-CD2 3.97Å; M14-Y119 HydrophobicContact SD-CD2 3.51Å; M14-Y119 VanDerWaalsContact SD-CD2 3.51Å; M14-Y119 HydrophobicContact SD-CE2 3.77Å; L110-Y119 HydrophobicContact CD2-CD2 4.09Å; L110-Y119 HydrophobicContact CD2-CE2 3.5Å; L110-Y119 VanDerWaalsContact CD2-CE2 3.5Å; K115-Y119 PolarHBondContact O-N 2.81Å; A116-Y119 WeakPolarHBondContact O-CB 3.26Å; A116-Y119 PolarHBondContact O-N 2.91Å; Y119-M121 PolarHBondContact O-N 2.87Å; Y119-K122 PolarHBondContact O-N 3.42Å; Y119-T123 HydrophobicContact CD2-CG2 3.99Å; Y119-T123 HydrophobicContact CE2-CG2 3.48Å; Y119-T123 VanDerWaalsContact CE2-CG2 3.48Å; Y119-T123 WeakPolarHBondContact O-CB 3.17Å; Y119-T123 WeakPolarHBondContact O-CG2 3.38Å; Y119-T123 PolarHBondContact O-N 2.74Å; Y119-T123 VanDerWaalsContact O-N 3.08Å; Y119-T123 PolarHBondContact O-OG1 3.1Å; Y119-F130 HydrophobicContact CE2-CD1 4.15Å; Y119-F130 HydrophobicContact CE2-CE1 4.41Å; Y119-R136 VanDerWaalsContact CZ-CD 3.44Å; Y119-R136 WeakPolarHBondContact OH-CD 3.41Å; Y119-R136 PolarHBondContact OH-NE 2.96Å; Y119-R136 PolarHBondContact OH-NH1 2.78Å; Y119-R136 PolarHBondContact OH-NH2 2.83Å; Y119-L138 HydrophobicContact CD1-CD1 3.95Å; Y119-L138 HydrophobicContact CD2-CD2 3.75Å; Y119-L138 HydrophobicContact CE2-CD2 4.47Å; Y119-L138 HydrophobicContact CG-CD1 3.86Å; Y119-L138 HydrophobicContact CG-CD2 3.86Å |
| 120 | E | 98.2 | Very high | 97.4 | Very high | 100 Ų | 100 | 38.7 Ų | 38.7 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.1 | -73.4 | -56.1 | 143.6 | 0 | 0 | 112.2 | A116 H117 F118 T123 A124 K127 | A116-E120 PolarHBondContact O-N 3.48Å; H117-E120 PolarHBondContact O-N 3.32Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.04Å; E120-T123 PolarHBondContact O-N 3.05Å; E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 2.94Å; E120-A124 VanDerWaalsContact O-N 3.08Å; E120-K127 IonicContact OE1-NZ 3.88Å; E120-K127 IonicContact OE2-NZ 3.52Å; E120-K127 PolarHBondContact OE2-NZ 2.82Å |
| 121 | M | 98.3 | Very high | 97.3 | Very high | 45 Ų | 45 | 44 Ų | 44 | 22% | 0.222 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 177.2 | -68.1 | 179.1 | 170.4 | 0 | 0 | 112.3 | E82 F85 P86 H117 F118 Y119 T123 | E82-M121 HydrophobicContact CB-CE 4.08Å; E82-M121 HydrophobicContact CB-SD 4.07Å; E82-M121 HydrophobicContact CG-CE 3.79Å; E82-M121 HydrophobicContact CG-SD 3.89Å; F85-M121 HydrophobicContact CB-CB 4.23Å; P86-M121 HydrophobicContact CG-CB 4.39Å; H117-M121 WeakPolarHBondContact CE1-CE 3.24Å; H117-M121 VanDerWaalsContact NE2-CE 3.33Å; H117-M121 WeakPolarHBondContact NE2-CE 3.29Å; H117-M121 PolarHBondContact O-N 3.06Å; F118-M121 HydrophobicContact CD1-SD 4.28Å; F118-M121 PolarHBondContact O-N 3.21Å; Y119-M121 PolarHBondContact O-N 2.87Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.48Å |
| 122 | K | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | -178 | -67.5 | 162.6 | 178.7 | -171.5 | 0 | 112 | M14 D15 I19 T21 F85 S114 F118 Y119 | M14-K122 HydrophobicContact CE-CD 3.79Å; D15-K122 WeakPolarHBondContact OD1-CD 3.13Å; D15-K122 WeakPolarHBondContact OD1-CE 3.34Å; D15-K122 IonicContact OD1-NZ 3.82Å; D15-K122 PolarHBondContact OD1-NZ 2.94Å; D15-K122 IonicContact OD2-NZ 2.77Å; I19-K122 HydrophobicContact CD1-CB 4.08Å; I19-K122 WeakPolarHBondContact CD1-O 3.47Å; T21-K122 HydrophobicContact CG2-CD 3.7Å; T21-K122 HydrophobicContact CG2-CG 3.89Å; F85-K122 HydrophobicContact CB-CG 3.84Å; F85-K122 HydrophobicContact CD1-CG 4.45Å; F85-K122 HydrophobicContact CD2-CD 4.35Å; F85-K122 HydrophobicContact CD2-CG 4.12Å; F85-K122 HydrophobicContact CG-CG 3.91Å; S114-K122 PolarHBondContact OG-NZ 3.38Å; F118-K122 WeakPolarHBondContact O-CB 3.24Å; F118-K122 VanDerWaalsContact O-CD 3.31Å; F118-K122 WeakPolarHBondContact O-CD 3.19Å; F118-K122 WeakPolarHBondContact O-CG 3.46Å; F118-K122 PolarHBondContact O-N 3.42Å; Y119-K122 PolarHBondContact O-N 3.42Å |
| 123 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -96 | -6.3 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 114.6 | M14 I19 Y119 E120 M121 K125 H126 K127 F130 | M14-T123 HydrophobicContact SD-CG2 3.98Å; I19-T123 HydrophobicContact CD1-CG2 3.9Å; Y119-T123 HydrophobicContact CD2-CG2 3.99Å; Y119-T123 HydrophobicContact CE2-CG2 3.48Å; Y119-T123 VanDerWaalsContact CE2-CG2 3.48Å; Y119-T123 WeakPolarHBondContact O-CB 3.17Å; Y119-T123 WeakPolarHBondContact O-CG2 3.38Å; Y119-T123 PolarHBondContact O-N 2.74Å; Y119-T123 VanDerWaalsContact O-N 3.08Å; Y119-T123 PolarHBondContact O-OG1 3.1Å; E120-T123 PolarHBondContact O-N 3.05Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.48Å; T123-K125 VanDerWaalsContact C-N 3.27Å; T123-K125 PolarHBondContact O-N 3.12Å; T123-K125 VanDerWaalsContact O-N 3.15Å; T123-H126 CarbonylContact O-C 3.58Å; T123-H126 PolarHBondContact O-N 3.39Å; T123-K127 PolarHBondContact O-N 3.19Å; T123-K127 PolarHBondContact OG1-NZ 2.96Å; T123-F130 HydrophobicContact CG2-CD1 3.59Å; T123-F130 HydrophobicContact CG2-CD2 3.86Å; T123-F130 HydrophobicContact CG2-CE1 3.64Å; T123-F130 HydrophobicContact CG2-CE2 3.91Å; T123-F130 HydrophobicContact CG2-CG 3.72Å; T123-F130 HydrophobicContact CG2-CZ 3.82Å |
| 124 | A | 97.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 49% | 0.488 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -41.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | E120 | E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 2.94Å; E120-A124 VanDerWaalsContact O-N 3.08Å |
| 125 | K | 98 | Very high | 97.9 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 55% | 0.548 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.9 | 179.1 | -67.1 | 176.5 | 180 | 159.5 | 0 | 113.9 | P86 N87 T123 | P86-K125 WeakPolarHBondContact O-CD 3.41Å; P86-K125 WeakPolarHBondContact O-CE 3.08Å; P86-K125 PolarHBondContact O-NZ 3.29Å; N87-K125 PolarHBondContact OD1-NZ 3.49Å; T123-K125 VanDerWaalsContact C-N 3.27Å; T123-K125 PolarHBondContact O-N 3.12Å; T123-K125 VanDerWaalsContact O-N 3.15Å |
| 126 | H | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | trans | -116.5 | 18.5 | -169.9 | -53.3 | -51.3 | 0 | 0 | 0 | 113 | A88 L90 T123 H128 V129 F130 | A88-H126 PolarHBondContact O-NE2 3.41Å; L90-H126 HydrophobicContact CD2-CB 4.12Å; L90-H126 HydrophobicContact CG-CB 4.42Å; T123-H126 CarbonylContact O-C 3.58Å; T123-H126 PolarHBondContact O-N 3.39Å; H126-H128 PolarHBondContact O-N 3.09Å; H126-H128 VanDerWaalsContact O-N 3.07Å; H126-V129 PolarHBondContact O-N 2.72Å; H126-F130 HydrophobicContact CB-CD2 3.79Å; H126-F130 HydrophobicContact CB-CE2 3.99Å; H126-F130 WeakPolarHBondContact O-CD2 3.32Å; H126-F130 PolarHBondContact O-N 2.87Å | ||
| 127 | K | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 48 Ų | 48 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56 | -29.2 | -177.8 | -64 | -59.5 | -172.2 | -172.3 | 0 | 113.1 | E120 T123 V129 F130 N131 | E120-K127 IonicContact OE1-NZ 3.88Å; E120-K127 IonicContact OE2-NZ 3.52Å; E120-K127 PolarHBondContact OE2-NZ 2.82Å; T123-K127 PolarHBondContact O-N 3.19Å; T123-K127 PolarHBondContact OG1-NZ 2.96Å; K127-V129 VanDerWaalsContact C-N 3.3Å; K127-V129 PolarHBondContact O-N 2.66Å; K127-F130 PolarHBondContact O-N 3.26Å; K127-N131 WeakPolarHBondContact O-CB 3.48Å; K127-N131 PolarHBondContact O-N 2.88Å; K127-N131 PolarHBondContact O-ND2 3.41Å; K127-N131 PolarHBondContact O-OD1 3.24Å |
| 128 | H | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 44.8 Ų | 44.8 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -33.8 | 175.1 | 63.5 | -78.5 | 0 | 0 | 0 | 113.4 | E95 H126 | E95-H128 IonicContact OE1-CD2 3.22Å; E95-H128 IonicContact OE1-NE2 2.7Å; H126-H128 PolarHBondContact O-N 3.09Å; H126-H128 VanDerWaalsContact O-N 3.07Å |
| 129 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -81.6 | -51 | 172.4 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | L90 E95 V98 H126 K127 N131 L132 | L90-V129 HydrophobicContact CD1-CG2 3.77Å; E95-V129 HydrophobicContact CB-CG2 3.85Å; E95-V129 HydrophobicContact CG-CG2 3.71Å; V98-V129 HydrophobicContact CB-CG1 3.96Å; V98-V129 HydrophobicContact CG1-CG1 3.75Å; V98-V129 HydrophobicContact CG2-CG1 4.19Å; H126-V129 PolarHBondContact O-N 2.72Å; K127-V129 VanDerWaalsContact C-N 3.3Å; K127-V129 PolarHBondContact O-N 2.66Å; V129-N131 VanDerWaalsContact C-N 3.31Å; V129-N131 PolarHBondContact O-N 3.14Å; V129-L132 WeakPolarHBondContact O-CB 3.28Å; V129-L132 PolarHBondContact O-N 3.22Å; V129-L132 VanDerWaalsContact O-N 3.16Å |
| 130 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | -171.8 | -81 | -93.9 | 0 | 0 | 0 | 111.8 | M14 L18 I19 L90 L110 Y119 T123 H126 K127 L132 F133 R136 | M14-F130 HydrophobicContact CG-CE1 3.9Å; M14-F130 HydrophobicContact CG-CZ 4.02Å; M14-F130 HydrophobicContact SD-CE1 3.79Å; M14-F130 HydrophobicContact SD-CZ 4.2Å; L18-F130 HydrophobicContact CB-CZ 4.22Å; L18-F130 HydrophobicContact CD1-CE1 4.33Å; L18-F130 HydrophobicContact CD1-CZ 4.31Å; I19-F130 HydrophobicContact CD1-CE1 4.36Å; I19-F130 HydrophobicContact CD1-CE2 3.51Å; I19-F130 HydrophobicContact CD1-CZ 3.36Å; I19-F130 HydrophobicContact CG1-CE2 3.86Å; I19-F130 HydrophobicContact CG1-CZ 3.72Å; L90-F130 HydrophobicContact CD2-CE2 4.02Å; L110-F130 HydrophobicContact CD1-CE1 4.12Å; L110-F130 HydrophobicContact CD2-CD1 4.21Å; L110-F130 HydrophobicContact CD2-CE1 4.06Å; Y119-F130 HydrophobicContact CE2-CD1 4.15Å; Y119-F130 HydrophobicContact CE2-CE1 4.41Å; T123-F130 HydrophobicContact CG2-CD1 3.59Å; T123-F130 HydrophobicContact CG2-CD2 3.86Å; T123-F130 HydrophobicContact CG2-CE1 3.64Å; T123-F130 HydrophobicContact CG2-CE2 3.91Å; T123-F130 HydrophobicContact CG2-CG 3.72Å; T123-F130 HydrophobicContact CG2-CZ 3.82Å; H126-F130 HydrophobicContact CB-CD2 3.79Å; H126-F130 HydrophobicContact CB-CE2 3.99Å; H126-F130 WeakPolarHBondContact O-CD2 3.32Å; H126-F130 PolarHBondContact O-N 2.87Å; K127-F130 PolarHBondContact O-N 3.26Å; F130-L132 PolarHBondContact O-N 2.78Å; F130-L132 VanDerWaalsContact O-N 3.09Å; F130-F133 HydrophobicContact CD1-CE2 4.42Å; F130-F133 WeakPolarHBondContact O-CD2 3.47Å; F130-F133 PolarHBondContact O-N 2.98Å; F130-R136 PolarHBondContact O-NH1 2.85Å; F130-R136 PolarHBondContact O-NH2 3.43Å |
| 131 | N | 98.4 | Very high | 97.7 | Very high | 111 Ų | 111 | 47.9 Ų | 47.9 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -9.3 | 178.3 | -70.7 | -9.4 | 0 | 0 | 0 | 114.3 | K127 V129 F133 | K127-N131 WeakPolarHBondContact O-CB 3.48Å; K127-N131 PolarHBondContact O-N 2.88Å; K127-N131 PolarHBondContact O-ND2 3.41Å; K127-N131 PolarHBondContact O-OD1 3.24Å; V129-N131 VanDerWaalsContact C-N 3.31Å; V129-N131 PolarHBondContact O-N 3.14Å; N131-F133 VanDerWaalsContact C-N 3.28Å |
| 132 | L | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.5 | 176.3 | -58.2 | 176.5 | 0 | 0 | 0 | 113.4 | V98 V99 V129 F130 | V98-L132 HydrophobicContact CG1-CB 4.09Å; V98-L132 HydrophobicContact CG1-CD1 4.04Å; V99-L132 HydrophobicContact CB-CD1 4.44Å; V99-L132 HydrophobicContact CG2-CD1 3.79Å; V129-L132 WeakPolarHBondContact O-CB 3.28Å; V129-L132 PolarHBondContact O-N 3.22Å; V129-L132 VanDerWaalsContact O-N 3.16Å; F130-L132 PolarHBondContact O-N 2.78Å; F130-L132 VanDerWaalsContact O-N 3.09Å |
| 133 | F | 98.7 | Very high | 97.5 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | trans | -75.9 | 131 | 177.6 | -72.6 | -101 | 0 | 0 | 0 | 111.3 | F12 L18 V98 I108 L110 F130 N131 H135 | F12-F133 HydrophobicContact CB-CE1 4.08Å; F12-F133 HydrophobicContact CB-CZ 4.38Å; F12-F133 AromaticContact CD2-CE1 3.71Å; F12-F133 HydrophobicContact CD2-CE1 3.71Å; F12-F133 HydrophobicContact CD2-CZ 4.07Å; F12-F133 HydrophobicContact CG-CE1 4.22Å; F12-F133 HydrophobicContact CG-CZ 4.38Å; L18-F133 HydrophobicContact CD1-CE1 4.39Å; L18-F133 HydrophobicContact CD1-CE2 4.36Å; L18-F133 HydrophobicContact CD1-CZ 3.59Å; V98-F133 HydrophobicContact CG1-CD2 4.4Å; V98-F133 HydrophobicContact CG1-CE2 3.83Å; V98-F133 HydrophobicContact CG1-CZ 4.4Å; V98-F133 HydrophobicContact CG2-CE2 4.08Å; V98-F133 HydrophobicContact CG2-CZ 3.94Å; I108-F133 HydrophobicContact CD1-CD1 4.39Å; I108-F133 HydrophobicContact CD1-CD2 4.43Å; I108-F133 HydrophobicContact CD1-CE1 4.49Å; I108-F133 HydrophobicContact CD1-CG 4.39Å; I108-F133 HydrophobicContact CG1-CD1 4.13Å; I108-F133 HydrophobicContact CG1-CG 4.32Å; L110-F133 HydrophobicContact CB-CD1 3.83Å; L110-F133 HydrophobicContact CB-CE1 4.03Å; L110-F133 HydrophobicContact CB-CG 4.46Å; L110-F133 HydrophobicContact CD1-CE1 3.98Å; L110-F133 HydrophobicContact CD1-CZ 4.15Å; F130-F133 HydrophobicContact CD1-CE2 4.42Å; F130-F133 WeakPolarHBondContact O-CD2 3.47Å; F130-F133 PolarHBondContact O-N 2.98Å; N131-F133 VanDerWaalsContact C-N 3.28Å; F133-H135 VanDerWaalsContact C-N 3.31Å; F133-H135 PolarHBondContact O-N 3.14Å | ||
| 134 | H | 98.3 | Very high | 97.4 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -56.9 | -46.4 | 176.6 | 174.2 | -65.2 | 0 | 0 | 0 | 111.2 | I108 F162 E163 | I108-H134 WeakPolarHBondContact O-CB 3.45Å; I108-H134 PolarHBondContact O-N 3.24Å; H134-F162 HydrophobicContact CB-CD1 4.4Å; H134-F162 HydrophobicContact CB-CE1 4.33Å; H134-E163 PolarHBondContact NE2-N 3.32Å |
| 135 | H | 98.6 | Very high | 97.3 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 173 | 176.9 | 67.6 | -87.1 | 0 | 0 | 0 | 110.5 | A109 L110 F133 C158 R161 F162 | A109-H135 WeakPolarHBondContact CA-O 3.26Å; A109-H135 WeakPolarHBondContact CB-CE1 3.26Å; A109-H135 WeakPolarHBondContact CB-NE2 3.41Å; L110-H135 PolarHBondContact N-O 2.69Å; L110-H135 VanDerWaalsContact N-O 3.15Å; F133-H135 VanDerWaalsContact C-N 3.31Å; F133-H135 PolarHBondContact O-N 3.14Å; H135-C158 PolarHBondContact CE1-O 3.46Å; H135-C158 VanDerWaalsContact CE1-O 3.31Å; H135-C158 PolarHBondContact NE2-O 3.19Å; H135-R161 WeakPolarHBondContact NE2-CB 3.43Å; H135-F162 AromaticContact CE1-CD1 3.81Å; H135-F162 AromaticContact CE1-CE1 3.98Å; H135-F162 AromaticContact CE1-CG 3.85Å |
| 136 | R | 98.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 25% | 0.249 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.5 | 178.6 | -50.5 | 178.9 | -157.8 | -75.8 | 1.9 | 109.9 | L110 Y119 F130 | L110-R136 HydrophobicContact CB-CB 4.19Å; L110-R136 HydrophobicContact CB-CG 4.03Å; L110-R136 HydrophobicContact CD2-CB 4.49Å; L110-R136 HydrophobicContact CD2-CG 4.27Å; L110-R136 CarbonylContact O-C 3.51Å; L110-R136 WeakPolarHBondContact O-CA 3.43Å; Y119-R136 VanDerWaalsContact CZ-CD 3.44Å; Y119-R136 WeakPolarHBondContact OH-CD 3.41Å; Y119-R136 PolarHBondContact OH-NE 2.96Å; Y119-R136 PolarHBondContact OH-NH1 2.78Å; Y119-R136 PolarHBondContact OH-NH2 2.83Å; F130-R136 PolarHBondContact O-NH1 2.85Å; F130-R136 PolarHBondContact O-NH2 3.43Å |
| 137 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113 | 170.9 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | L110 C111 S112 T139 I145 C158 | L110-V137 PolarHBondContact O-N 2.98Å; C111-V137 WeakPolarHBondContact CA-O 3.25Å; S112-V137 PolarHBondContact N-O 3.09Å; V137-T139 HydrophobicContact CG1-CG2 4.25Å; V137-I145 HydrophobicContact CG1-CD1 3.31Å; V137-C158 HydrophobicContact CB-CB 4.3Å; V137-C158 HydrophobicContact CG2-CB 3.72Å |
| 138 | L | 97.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 93.7 | 176 | -58.9 | -178.2 | 0 | 0 | 0 | 106.8 | A116 Y119 P140 D141 D142 | A116-L138 HydrophobicContact CB-CD1 3.95Å; Y119-L138 HydrophobicContact CD1-CD1 3.95Å; Y119-L138 HydrophobicContact CD2-CD2 3.75Å; Y119-L138 HydrophobicContact CE2-CD2 4.47Å; Y119-L138 HydrophobicContact CG-CD1 3.86Å; Y119-L138 HydrophobicContact CG-CD2 3.86Å; L138-P140 VanDerWaalsContact C-N 3.34Å; L138-D141 PolarHBondContact O-N 3.22Å; L138-D142 PolarHBondContact O-N 3.06Å; L138-D142 VanDerWaalsContact O-N 3.14Å |
| 139 | T | 95.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -57.2 | -35.9 | -161.7 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | S112 V137 D141 D142 I145 C154 | S112-T139 PolarHBondContact O-N 3.27Å; V137-T139 HydrophobicContact CG1-CG2 4.25Å; T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 2.86Å; T139-D142 PolarHBondContact O-N 3.28Å; T139-I145 HydrophobicContact CG2-CD1 3.94Å; T139-C154 HydrophobicContact CG2-CB 3.65Å |
| 140 | P | 92.9 | Very high | 96.1 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -68.5 | -24.1 | 178.1 | -19.5 | 34.6 | 0 | 0 | 0 | 114.2 | G113 S114 K115 L138 | G113-P140 WeakPolarHBondContact O-CG 3.34Å; S114-P140 WeakPolarHBondContact O-CD 3.47Å; K115-P140 HydrophobicContact CG-CB 3.99Å; K115-P140 HydrophobicContact CG-CG 4.26Å; L138-P140 VanDerWaalsContact C-N 3.34Å |
| 141 | D | 95.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -101.8 | -1.2 | -178.1 | -53.1 | -92.4 | 0 | 0 | 0 | 112.1 | K115 A116 L138 T139 | K115-D141 WeakPolarHBondContact CA-OD2 3.32Å; A116-D141 PolarHBondContact N-OD2 3.34Å; L138-D141 PolarHBondContact O-N 3.22Å; T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 2.86Å |
| 142 | D | 96.5 | Very high | 96 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -94.3 | 114.6 | -174 | -158.7 | -56.5 | 0 | 0 | 0 | 111.5 | L138 T139 D144 I145 R161 | L138-D142 PolarHBondContact O-N 3.06Å; L138-D142 VanDerWaalsContact O-N 3.14Å; T139-D142 PolarHBondContact O-N 3.28Å; D142-D144 PolarHBondContact O-N 2.75Å; D142-D144 PolarHBondContact OD1-N 3.02Å; D142-D144 VanDerWaalsContact OD1-N 3.1Å; D142-I145 HydrophobicContact CB-CB 4.36Å; D142-I145 HydrophobicContact CB-CD1 4.02Å; D142-I145 HydrophobicContact CB-CG1 4.24Å; D142-I145 PolarHBondContact O-N 3.2Å; D142-R161 IonicContact OD1-CZ 3.19Å; D142-R161 IonicContact OD1-NH1 2.62Å; D142-R161 IonicContact OD1-NH2 2.77Å; D142-R161 PolarHBondContact OD1-NH2 3.38Å; D142-R161 IonicContact OD2-CZ 3.91Å; D142-R161 IonicContact OD2-NH1 3.77Å; D142-R161 PolarHBondContact OD2-NH1 2.97Å; D142-R161 IonicContact OD2-NH2 2.95Å; D142-R161 PolarHBondContact OD2-NH2 2.89Å | ||
| 143 | P | 95.8 | Very high | 96 | Very high | 117 Ų | 117 | 54 Ų | 54 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.7 | -175.3 | 29.5 | -36.2 | 0 | 0 | 0 | 113.7 | I145 | P143-I145 VanDerWaalsContact C-N 3.27Š|
| 144 | D | 95.8 | Very high | 96 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.6 | 179.2 | -61.5 | -32.1 | 0 | 0 | 0 | 112.3 | D142 T157 R161 | D142-D144 PolarHBondContact O-N 2.75Å; D142-D144 PolarHBondContact OD1-N 3.02Å; D142-D144 VanDerWaalsContact OD1-N 3.1Å; D144-T157 HydrophobicContact CB-CG2 4.27Å; D144-R161 IonicContact OD2-CZ 3.55Å; D144-R161 IonicContact OD2-NH2 2.86Å; D144-R161 PolarHBondContact OD2-NH2 3.29Å |
| 145 | I | 95.6 | Very high | 96 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | trans | -115.2 | 120.5 | -176.2 | -59.2 | 174.6 | 0 | 0 | 0 | 109 | V137 T139 D142 P143 E153 C154 T157 | V137-I145 HydrophobicContact CG1-CD1 3.31Å; T139-I145 HydrophobicContact CG2-CD1 3.94Å; D142-I145 HydrophobicContact CB-CB 4.36Å; D142-I145 HydrophobicContact CB-CD1 4.02Å; D142-I145 HydrophobicContact CB-CG1 4.24Å; D142-I145 PolarHBondContact O-N 3.2Å; P143-I145 VanDerWaalsContact C-N 3.27Å; I145-E153 HydrophobicContact CG1-CG 4.46Å; I145-E153 HydrophobicContact CG2-CG 4.43Å; I145-C154 HydrophobicContact CD1-CB 4.09Å; I145-C154 HydrophobicContact CG2-CB 4.47Å; I145-T157 HydrophobicContact CD1-CG2 4.25Å; I145-T157 HydrophobicContact CG1-CG2 4.2Å | ||
| 146 | T | 94.7 | Very high | 96 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 66% | 0.656 | 29% | 0.286 | S | S | * | . | trans | -117.9 | -15.6 | -177.6 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | E153 | T146-E153 PolarHBondContact N-OE2 3.32Å; T146-E153 PolarHBondContact OG1-OE1 3.33Å; T146-E153 PolarHBondContact OG1-OE2 3.19Å | ||
| 147 | H | 93.8 | Very high | 96 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 43% | 0.431 | 28% | 0.28 | S | S | . | . | trans | -122.2 | 126.9 | -179.9 | -55.2 | 90.6 | 0 | 0 | 0 | 111.2 | H151 E153 | H147-H151 HydrophobicContact CB-CB 3.58Å; H147-H151 VanDerWaalsContact CB-CG 3.45Å; H147-H151 WeakPolarHBondContact CB-ND1 3.23Å; H147-H151 AromaticContact CG-CG 3.98Å; H147-H151 AromaticContact CG-ND1 3.89Å; H147-H151 AromaticContact ND1-CE1 3.94Å; H147-E153 IonicContact CG-OE2 2.71Å; H147-E153 PolarHBondContact N-OE2 2.83Å; H147-E153 IonicContact ND1-OE1 2.66Å; H147-E153 IonicContact ND1-OE2 2.64Å; H147-E153 PolarHBondContact ND1-OE2 3.4Å | ||
| 148 | G | 89.7 | Confident | 96 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | trans | -74.8 | 167.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H151 | G148-H151 WeakPolarHBondContact O-CB 3.17Å; G148-H151 PolarHBondContact O-N 3.08Å | ||
| 149 | K | 93.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 134 | 169.4 | -61.8 | 168.1 | 179.5 | -177.9 | 0 | 109.3 | D13 Y155 E176 N180 A184 | D13-K149 IonicContact OD1-NZ 3.58Å; D13-K149 PolarHBondContact OD1-NZ 3.15Å; K149-Y155 WeakPolarHBondContact CE-OH 3.42Å; K149-Y155 PolarHBondContact NZ-OH 3.28Å; K149-Y155 VanDerWaalsContact NZ-OH 3.15Å; K149-E176 WeakPolarHBondContact CE-OE1 3.31Å; K149-E176 IonicContact NZ-OE1 3.52Å; K149-E176 PolarHBondContact NZ-OE1 3.13Å; K149-N180 HydrophobicContact CB-CB 4.15Å; K149-A184 HydrophobicContact CB-CB 4.12Å; K149-A184 HydrophobicContact CG-CB 3.91Å |
| 150 | P | 95.1 | Very high | 96.2 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 29% | 0.292 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.7 | 10.8 | 20 | 37.1 | -38.3 | 0 | 0 | 0 | 115.6 | N180 E183 A184 N187 | P150-N180 WeakPolarHBondContact CA-O 3.29Å; P150-E183 HydrophobicContact CB-CB 3.76Å; P150-E183 HydrophobicContact CB-CG 3.79Å; P150-E183 WeakPolarHBondContact CB-OE2 3.47Å; P150-A184 VanDerWaalsContact O-CA 3.23Å; P150-A184 WeakPolarHBondContact O-CA 3.22Å; P150-N187 PolarHBondContact O-ND2 2.85Å; P150-N187 VanDerWaalsContact O-ND2 3.09Å |
| 151 | H | 96.7 | Very high | 96.5 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -66.6 | 137.5 | 174.5 | -166.1 | -94.7 | 0 | 0 | 0 | 110.3 | H147 G148 E153 | H147-H151 HydrophobicContact CB-CB 3.58Å; H147-H151 VanDerWaalsContact CB-CG 3.45Å; H147-H151 WeakPolarHBondContact CB-ND1 3.23Å; H147-H151 AromaticContact CG-CG 3.98Å; H147-H151 AromaticContact CG-ND1 3.89Å; H147-H151 AromaticContact ND1-CE1 3.94Å; G148-H151 WeakPolarHBondContact O-CB 3.17Å; G148-H151 PolarHBondContact O-N 3.08Å; H151-E153 WeakPolarHBondContact ND1-CB 3.45Å; H151-E153 PolarHBondContact ND1-N 2.9Å; H151-E153 PolarHBondContact O-N 3.4Å |
| 152 | P | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.7 | -172.5 | 30.7 | -37.6 | 0 | 0 | 0 | 114.4 | C154 Y155 L156 N187 A188 | P152-C154 VanDerWaalsContact C-N 3.3Å; P152-C154 PolarHBondContact O-N 3.35Å; P152-Y155 PolarHBondContact O-N 3.49Å; P152-Y155 VanDerWaalsContact O-N 3.13Å; P152-L156 HydrophobicContact CB-CD1 3.96Å; P152-L156 HydrophobicContact CB-CG 4.24Å; P152-L156 HydrophobicContact CG-CD1 4.11Å; P152-L156 WeakPolarHBondContact O-CG 3.34Å; P152-L156 PolarHBondContact O-N 3.46Å; P152-N187 HydrophobicContact CB-CB 3.91Å; P152-N187 HydrophobicContact CG-CB 4.08Å; P152-A188 HydrophobicContact CB-CB 3.7Å |
| 153 | E | 97.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -51.9 | -44.7 | -172.7 | 178.3 | 176.6 | -107.7 | 0 | 0 | 113.1 | I145 T146 H147 H151 Y155 L156 T157 | I145-E153 HydrophobicContact CG1-CG 4.46Å; I145-E153 HydrophobicContact CG2-CG 4.43Å; T146-E153 PolarHBondContact N-OE2 3.32Å; T146-E153 PolarHBondContact OG1-OE1 3.33Å; T146-E153 PolarHBondContact OG1-OE2 3.19Å; H147-E153 IonicContact CG-OE2 2.71Å; H147-E153 PolarHBondContact N-OE2 2.83Å; H147-E153 IonicContact ND1-OE1 2.66Å; H147-E153 IonicContact ND1-OE2 2.64Å; H147-E153 PolarHBondContact ND1-OE2 3.4Å; H151-E153 WeakPolarHBondContact ND1-CB 3.45Å; H151-E153 PolarHBondContact ND1-N 2.9Å; H151-E153 PolarHBondContact O-N 3.4Å; E153-Y155 PolarHBondContact O-N 2.88Å; E153-L156 PolarHBondContact O-N 3.29Å; E153-T157 VanDerWaalsContact O-CB 3.25Å; E153-T157 WeakPolarHBondContact O-CB 3.43Å; E153-T157 PolarHBondContact O-N 3.11Å; E153-T157 PolarHBondContact O-OG1 3.47Å; E153-T157 VanDerWaalsContact O-OG1 3.05Å |
| 154 | C | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | -179.6 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | T139 I145 P152 C158 | T139-C154 HydrophobicContact CG2-CB 3.65Å; I145-C154 HydrophobicContact CD1-CB 4.09Å; I145-C154 HydrophobicContact CG2-CB 4.47Å; P152-C154 VanDerWaalsContact C-N 3.3Å; P152-C154 PolarHBondContact O-N 3.35Å; C154-C158 VanDerWaalsContact O-CB 3.24Å; C154-C158 WeakPolarHBondContact O-CB 3.26Å; C154-C158 PolarHBondContact O-N 3.49Å |
| 155 | Y | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -39.4 | 178.3 | -73.8 | -54.1 | 0 | 0 | 0 | 112.4 | I11 C111 K149 P152 E153 T157 C158 A159 V174 E176 A184 A185 M190 | I11-Y155 HydrophobicContact CD1-CD1 4.44Å; I11-Y155 HydrophobicContact CG2-CD1 3.88Å; I11-Y155 HydrophobicContact CG2-CE1 3.85Å; C111-Y155 HydrophobicContact CB-CD1 4.11Å; C111-Y155 HydrophobicContact CB-CE1 3.81Å; K149-Y155 WeakPolarHBondContact CE-OH 3.42Å; K149-Y155 PolarHBondContact NZ-OH 3.28Å; K149-Y155 VanDerWaalsContact NZ-OH 3.15Å; P152-Y155 PolarHBondContact O-N 3.49Å; P152-Y155 VanDerWaalsContact O-N 3.13Å; E153-Y155 PolarHBondContact O-N 2.88Å; Y155-T157 PolarHBondContact O-N 2.98Å; Y155-C158 PolarHBondContact O-N 3.2Å; Y155-A159 VanDerWaalsContact O-CB 3.32Å; Y155-A159 WeakPolarHBondContact O-CB 3.39Å; Y155-A159 PolarHBondContact O-N 2.87Å; Y155-V174 HydrophobicContact CD1-CG1 4.18Å; Y155-V174 HydrophobicContact CD1-CG2 3.98Å; Y155-V174 HydrophobicContact CE1-CG1 3.52Å; Y155-V174 HydrophobicContact CE1-CG2 4.17Å; Y155-V174 HydrophobicContact CE2-CG1 4.08Å; Y155-V174 HydrophobicContact CG-CG2 4.3Å; Y155-V174 VanDerWaalsContact CZ-CG1 3.46Å; Y155-E176 VanDerWaalsContact OH-CD 3.32Å; Y155-E176 VanDerWaalsContact OH-CG 3.26Å; Y155-E176 WeakPolarHBondContact OH-CG 3.37Å; Y155-E176 PolarHBondContact OH-OE1 2.93Å; Y155-A184 HydrophobicContact CD2-CB 3.74Å; Y155-A184 HydrophobicContact CE2-CB 3.83Å; Y155-A185 HydrophobicContact CD2-CB 4.14Å; Y155-A185 HydrophobicContact CE2-CB 4.16Å; Y155-M190 WeakPolarHBondContact O-CE 3.26Å |
| 156 | L | 98.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.7 | -68.9 | 173.7 | 0 | 0 | 0 | 111.7 | P152 E153 K160 A188 M190 | P152-L156 HydrophobicContact CB-CD1 3.96Å; P152-L156 HydrophobicContact CB-CG 4.24Å; P152-L156 HydrophobicContact CG-CD1 4.11Å; P152-L156 WeakPolarHBondContact O-CG 3.34Å; P152-L156 PolarHBondContact O-N 3.46Å; E153-L156 PolarHBondContact O-N 3.29Å; L156-K160 WeakPolarHBondContact O-CB 3.48Å; L156-K160 WeakPolarHBondContact O-CG 3.48Å; L156-K160 PolarHBondContact O-N 2.7Å; L156-A188 HydrophobicContact CD2-CB 3.89Å; L156-A188 HydrophobicContact CG-CB 3.95Å; L156-M190 HydrophobicContact CD2-CE 4.4Å |
| 157 | T | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 176.3 | -66.8 | 0 | 0 | 0 | 0 | 111 | D144 I145 E153 Y155 K160 R161 | D144-T157 HydrophobicContact CB-CG2 4.27Å; I145-T157 HydrophobicContact CD1-CG2 4.25Å; I145-T157 HydrophobicContact CG1-CG2 4.2Å; E153-T157 VanDerWaalsContact O-CB 3.25Å; E153-T157 WeakPolarHBondContact O-CB 3.43Å; E153-T157 PolarHBondContact O-N 3.11Å; E153-T157 PolarHBondContact O-OG1 3.47Å; E153-T157 VanDerWaalsContact O-OG1 3.05Å; Y155-T157 PolarHBondContact O-N 2.98Å; T157-K160 PolarHBondContact O-N 2.77Å; T157-R161 WeakPolarHBondContact O-CG 3.42Å; T157-R161 PolarHBondContact O-N 3.34Å |
| 158 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 175.3 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | I11 C111 H135 V137 C154 Y155 K160 R161 | I11-C158 HydrophobicContact CD1-CB 4.02Å; C111-C158 HydrophobicContact CB-CB 4.18Å; H135-C158 PolarHBondContact CE1-O 3.46Å; H135-C158 VanDerWaalsContact CE1-O 3.31Å; H135-C158 PolarHBondContact NE2-O 3.19Å; V137-C158 HydrophobicContact CB-CB 4.3Å; V137-C158 HydrophobicContact CG2-CB 3.72Å; C154-C158 VanDerWaalsContact O-CB 3.24Å; C154-C158 WeakPolarHBondContact O-CB 3.26Å; C154-C158 PolarHBondContact O-N 3.49Å; Y155-C158 PolarHBondContact O-N 3.2Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 3.39Å; C158-R161 PolarHBondContact O-N 2.89Å; C158-R161 VanDerWaalsContact O-N 3.15Å |
| 159 | A | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I11 Y155 R161 F162 P166 V172 M190 | I11-A159 HydrophobicContact CD1-CB 4.07Å; Y155-A159 VanDerWaalsContact O-CB 3.32Å; Y155-A159 WeakPolarHBondContact O-CB 3.39Å; Y155-A159 PolarHBondContact O-N 2.87Å; A159-R161 PolarHBondContact O-N 3.47Å; A159-F162 WeakPolarHBondContact O-CD2 3.17Å; A159-F162 PolarHBondContact O-N 2.98Å; A159-P166 HydrophobicContact CB-CG 4.04Å; A159-P166 WeakPolarHBondContact O-CD 3.5Å; A159-V172 HydrophobicContact CB-CG2 4.41Å; A159-M190 HydrophobicContact CB-CE 3.51Å |
| 160 | K | 98.1 | Very high | 97.7 | Very high | 154 Ų | 154 | 56.3 Ų | 56.3 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -20.5 | 178.8 | -76.5 | 170.2 | -176.8 | 176.4 | 0 | 114 | L156 T157 C158 | L156-K160 WeakPolarHBondContact O-CB 3.48Å; L156-K160 WeakPolarHBondContact O-CG 3.48Å; L156-K160 PolarHBondContact O-N 2.7Å; T157-K160 PolarHBondContact O-N 2.77Å; C158-K160 VanDerWaalsContact C-N 3.33Å; C158-K160 PolarHBondContact O-N 3.39Å |
| 161 | R | 98.4 | Very high | 97.8 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.3 | -176.5 | -71.7 | 176.8 | -177.6 | 179.7 | 7.1 | 114.1 | H135 D142 D144 T157 C158 A159 | H135-R161 WeakPolarHBondContact NE2-CB 3.43Å; D142-R161 IonicContact OD1-CZ 3.19Å; D142-R161 IonicContact OD1-NH1 2.62Å; D142-R161 IonicContact OD1-NH2 2.77Å; D142-R161 PolarHBondContact OD1-NH2 3.38Å; D142-R161 IonicContact OD2-CZ 3.91Å; D142-R161 IonicContact OD2-NH1 3.77Å; D142-R161 PolarHBondContact OD2-NH1 2.97Å; D142-R161 IonicContact OD2-NH2 2.95Å; D142-R161 PolarHBondContact OD2-NH2 2.89Å; D144-R161 IonicContact OD2-CZ 3.55Å; D144-R161 IonicContact OD2-NH2 2.86Å; D144-R161 PolarHBondContact OD2-NH2 3.29Å; T157-R161 WeakPolarHBondContact O-CG 3.42Å; T157-R161 PolarHBondContact O-N 3.34Å; C158-R161 PolarHBondContact O-N 2.89Å; C158-R161 VanDerWaalsContact O-N 3.15Å; A159-R161 PolarHBondContact O-N 3.47Å |
| 162 | F | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -69.1 | 148.5 | 167 | -74.4 | -71.1 | 0 | 0 | 0 | 111.6 | H9 I11 P107 A109 H134 H135 A159 P164 P165 | H9-F162 HydrophobicContact CB-CD2 4.26Å; H9-F162 HydrophobicContact CB-CE2 3.97Å; H9-F162 HydrophobicContact CB-CZ 4.24Å; H9-F162 AromaticContact CD2-CD1 3.77Å; H9-F162 AromaticContact CD2-CD2 3.64Å; H9-F162 AromaticContact CD2-CG 3.45Å; H9-F162 VanDerWaalsContact CD2-CG 3.45Å; H9-F162 WeakPolarHBondContact CD2-CG 3.31Å; I11-F162 HydrophobicContact CD1-CE2 4.24Å; I11-F162 HydrophobicContact CG1-CE2 3.87Å; I11-F162 HydrophobicContact CG1-CZ 4.21Å; P107-F162 HydrophobicContact CB-CD1 3.71Å; P107-F162 HydrophobicContact CB-CE1 3.7Å; A109-F162 HydrophobicContact CB-CE1 3.66Å; A109-F162 HydrophobicContact CB-CE2 3.93Å; A109-F162 HydrophobicContact CB-CZ 3.25Å; H134-F162 HydrophobicContact CB-CD1 4.4Å; H134-F162 HydrophobicContact CB-CE1 4.33Å; H135-F162 AromaticContact CE1-CD1 3.81Å; H135-F162 AromaticContact CE1-CE1 3.98Å; H135-F162 AromaticContact CE1-CG 3.85Å; A159-F162 WeakPolarHBondContact O-CD2 3.17Å; A159-F162 PolarHBondContact O-N 2.98Å; F162-P164 VanDerWaalsContact C-C 3.5Å; F162-P164 CarbonylContact C-O 3.28Å; F162-P164 WeakPolarHBondContact CB-O 3.43Å; F162-P164 CarbonylContact O-C 3.19Å; F162-P165 VanDerWaalsContact O-N 3.09Å |
| 163 | E | 97.8 | Very high | 97.9 | Very high | 165 Ų | 165 | 49.7 Ų | 49.7 | 77% | 0.771 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -121.6 | 103.4 | 174.4 | -65.7 | -178.7 | -162.4 | 0 | 0 | 110.5 | H134 | H134-E163 PolarHBondContact NE2-N 3.32Š|
| 164 | P | 96.9 | Very high | 98 | Very high | 98 Ų | 98 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | S | Bend | cis | -74.8 | 160.3 | -3.2 | 33.9 | -36 | 0 | 0 | 0 | 112.4 | H9 F162 | H9-P164 PolarHBondContact NE2-O 2.8Å; H9-P164 VanDerWaalsContact NE2-O 3.15Å; F162-P164 VanDerWaalsContact C-C 3.5Å; F162-P164 CarbonylContact C-O 3.28Å; F162-P164 WeakPolarHBondContact CB-O 3.43Å; F162-P164 CarbonylContact O-C 3.19Å |
| 165 | P | 97 | Very high | 98 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 154.8 | 172.7 | 28.1 | -34.8 | 0 | 0 | 0 | 111.5 | F162 | F162-P165 VanDerWaalsContact O-N 3.09Š|
| 166 | P | 97.8 | Very high | 98 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 142.7 | 174.1 | 24.1 | -32 | 0 | 0 | 0 | 111.4 | A159 S168 V172 | A159-P166 HydrophobicContact CB-CG 4.04Å; A159-P166 WeakPolarHBondContact O-CD 3.5Å; P166-S168 VanDerWaalsContact C-N 3.28Å; P166-S168 PolarHBondContact O-N 3.39Å; P166-V172 HydrophobicContact CB-CG2 3.62Å; P166-V172 HydrophobicContact CG-CG2 3.55Å |
| 167 | M | 96.6 | Very high | 97.9 | Very high | 179 Ų | 179 | 46.2 Ų | 46.2 | 88% | 0.882 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -65.8 | -30.7 | -179.3 | -61.6 | -169.4 | -50.5 | 0 | 0 | 113.2 | ||
| 168 | S | 97.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -149.6 | 153.9 | 176.8 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | P166 S170 S171 | P166-S168 VanDerWaalsContact C-N 3.28Å; P166-S168 PolarHBondContact O-N 3.39Å; S168-S170 PolarHBondContact O-N 3.36Å; S168-S170 PolarHBondContact OG-OG 3.13Å; S168-S171 PolarHBondContact O-N 2.98Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 2.92Å; S168-S171 PolarHBondContact OG-N 3.4Å |
| 169 | P | 97.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -57.8 | -35.8 | 174.3 | -25.4 | 34.7 | 0 | 0 | 0 | 113.5 | S171 V172 A188 G189 M190 | P169-S171 PolarHBondContact O-N 2.68Å; P169-S171 VanDerWaalsContact O-N 3.11Å; P169-V172 WeakPolarHBondContact O-CB 3.35Å; P169-V172 PolarHBondContact O-N 3.34Å; P169-A188 WeakPolarHBondContact CB-O 3.34Å; P169-G189 CarbonylContact C-O 3.54Å; P169-G189 VanDerWaalsContact C-O 3.28Å; P169-G189 WeakPolarHBondContact CB-O 3.5Å; P169-M190 HydrophobicContact CB-CG 4.11Å; P169-M190 WeakPolarHBondContact O-CA 3.25Å; P169-M190 WeakPolarHBondContact O-CG 3.3Å |
| 170 | S | 97.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 49 Ų | 49 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -63.8 | -18 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | S168 V172 G189 Q191 | S168-S170 PolarHBondContact O-N 3.36Å; S168-S170 PolarHBondContact OG-OG 3.13Å; S170-V172 VanDerWaalsContact C-N 3.26Å; S170-G189 WeakPolarHBondContact CA-O 3.37Å; S170-G189 PolarHBondContact N-O 3.44Å; S170-G189 VanDerWaalsContact N-O 3.14Å; S170-Q191 PolarHBondContact O-NE2 3.27Å |
| 171 | S | 97.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -85.8 | 4.3 | 174.2 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | V7 T8 H9 S168 P169 | V7-S171 CarbonylContact C-O 3.43Å; V7-S171 WeakPolarHBondContact CA-O 3.48Å; V7-S171 WeakPolarHBondContact CG1-O 3.5Å; T8-S171 PolarHBondContact N-O 2.9Å; T8-S171 PolarHBondContact OG1-O 3.27Å; T8-S171 PolarHBondContact OG1-OG 3.45Å; H9-S171 PolarHBondContact N-O 3.46Å; S168-S171 PolarHBondContact O-N 2.98Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 2.92Å; S168-S171 PolarHBondContact OG-N 3.4Å; P169-S171 PolarHBondContact O-N 2.68Å; P169-S171 VanDerWaalsContact O-N 3.11Å |
| 172 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | H9 I11 A159 P166 P169 S170 M190 Q191 | H9-V172 HydrophobicContact CB-CG2 4.38Å; H9-V172 WeakPolarHBondContact O-CA 3.43Å; I11-V172 HydrophobicContact CD1-CG1 3.73Å; I11-V172 HydrophobicContact CG1-CG1 3.89Å; A159-V172 HydrophobicContact CB-CG2 4.41Å; P166-V172 HydrophobicContact CB-CG2 3.62Å; P166-V172 HydrophobicContact CG-CG2 3.55Å; P169-V172 WeakPolarHBondContact O-CB 3.35Å; P169-V172 PolarHBondContact O-N 3.34Å; S170-V172 VanDerWaalsContact C-N 3.26Å; V172-M190 HydrophobicContact CB-CB 4.41Å; V172-M190 HydrophobicContact CB-CE 4.38Å; V172-M190 HydrophobicContact CB-CG 4.01Å; V172-M190 HydrophobicContact CB-SD 3.95Å; V172-M190 HydrophobicContact CG1-CE 4.34Å; V172-M190 HydrophobicContact CG1-CG 4.42Å; V172-M190 HydrophobicContact CG1-SD 3.74Å; V172-M190 HydrophobicContact CG2-CE 4.38Å; V172-Q191 PolarHBondContact O-N 3.2Å |
| 173 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.8 | 170.9 | -170.1 | 60.9 | 0 | 0 | 0 | 110 | V7 H9 V10 I11 F175 Q191 V193 F218 F223 L225 | V7-L173 HydrophobicContact CB-CB 4.34Å; V7-L173 HydrophobicContact CG1-CB 3.66Å; V7-L173 HydrophobicContact CG2-CB 3.8Å; H9-L173 PolarHBondContact O-N 3.41Å; V10-L173 CarbonylContact C-O 3.53Å; V10-L173 VanDerWaalsContact CA-O 3.29Å; V10-L173 WeakPolarHBondContact CA-O 3.39Å; V10-L173 WeakPolarHBondContact CG1-O 3.37Å; V10-L173 HydrophobicContact CG2-CB 4.42Å; I11-L173 PolarHBondContact N-O 2.99Å; L173-F175 HydrophobicContact CD2-CE2 3.63Å; L173-F175 HydrophobicContact CD2-CZ 3.87Å; L173-F175 HydrophobicContact CG-CD2 4.43Å; L173-F175 HydrophobicContact CG-CE2 3.95Å; L173-Q191 WeakPolarHBondContact CA-O 3.26Å; L173-Q191 HydrophobicContact CD1-CB 3.7Å; L173-V193 HydrophobicContact CD1-CG2 3.82Å; L173-V193 HydrophobicContact CD2-CG2 4.12Å; L173-V193 HydrophobicContact CG-CG2 4.15Å; L173-F218 HydrophobicContact CD2-CE2 4.03Å; L173-F218 HydrophobicContact CD2-CZ 3.7Å; L173-F223 HydrophobicContact CD1-CD1 3.75Å; L173-F223 HydrophobicContact CD1-CE1 3.51Å; L173-F223 HydrophobicContact CD1-CE2 4.42Å; L173-F223 HydrophobicContact CD1-CG 4.29Å; L173-F223 HydrophobicContact CD1-CZ 3.87Å; L173-F223 HydrophobicContact CD2-CB 4.34Å; L173-F223 HydrophobicContact CD2-CD1 4.19Å; L173-F223 HydrophobicContact CD2-CD2 3.98Å; L173-F223 HydrophobicContact CD2-CE2 4.34Å; L173-F223 HydrophobicContact CD2-CG 3.9Å; L173-L225 HydrophobicContact CD2-CD1 4.38Å |
| 174 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.1 | 172.1 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | I11 Y155 E176 A185 M190 Q191 V192 V193 | I11-V174 HydrophobicContact CB-CG2 4.4Å; I11-V174 CarbonylContact O-C 3.59Å; I11-V174 VanDerWaalsContact O-CA 3.24Å; I11-V174 WeakPolarHBondContact O-CA 3.34Å; Y155-V174 HydrophobicContact CD1-CG1 4.18Å; Y155-V174 HydrophobicContact CD1-CG2 3.98Å; Y155-V174 HydrophobicContact CE1-CG1 3.52Å; Y155-V174 HydrophobicContact CE1-CG2 4.17Å; Y155-V174 HydrophobicContact CE2-CG1 4.08Å; Y155-V174 HydrophobicContact CG-CG2 4.3Å; Y155-V174 VanDerWaalsContact CZ-CG1 3.46Å; V174-E176 HydrophobicContact CG1-CG 3.94Å; V174-A185 HydrophobicContact CB-CB 3.77Å; V174-A185 HydrophobicContact CG1-CB 3.96Å; V174-A185 HydrophobicContact CG2-CB 3.76Å; V174-M190 HydrophobicContact CG2-CB 4.15Å; V174-M190 HydrophobicContact CG2-SD 3.72Å; V174-Q191 PolarHBondContact N-O 2.85Å; V174-V192 HydrophobicContact CB-CB 4.34Å; V174-V192 HydrophobicContact CB-CG2 4.14Å; V174-V192 HydrophobicContact CG1-CG2 4.27Å; V174-V192 CarbonylContact O-C 3.55Å; V174-V192 VanDerWaalsContact O-CA 3.27Å; V174-V192 WeakPolarHBondContact O-CA 3.2Å; V174-V193 PolarHBondContact O-N 3.23Å |
| 175 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.3 | 163.5 | -71.6 | -101.5 | 0 | 0 | 0 | 109.2 | V10 I11 F12 D13 L17 L97 L173 V193 L215 F218 | V10-F175 HydrophobicContact CG1-CD2 3.6Å; V10-F175 HydrophobicContact CG1-CE2 3.55Å; I11-F175 PolarHBondContact O-N 3.01Å; F12-F175 HydrophobicContact CD1-CB 3.65Å; F12-F175 AromaticContact CD1-CD2 3.88Å; F12-F175 HydrophobicContact CD1-CD2 3.88Å; F12-F175 AromaticContact CD1-CG 3.87Å; F12-F175 HydrophobicContact CD1-CG 3.87Å; F12-F175 HydrophobicContact CE1-CB 3.97Å; F12-F175 HydrophobicContact CE1-CD1 4.28Å; F12-F175 AromaticContact CE1-CD2 3.43Å; F12-F175 HydrophobicContact CE1-CD2 3.43Å; F12-F175 VanDerWaalsContact CE1-CD2 3.43Å; F12-F175 AromaticContact CE1-CE2 3.93Å; F12-F175 HydrophobicContact CE1-CE2 3.93Å; F12-F175 AromaticContact CE1-CG 3.64Å; F12-F175 HydrophobicContact CE1-CG 3.64Å; F12-F175 HydrophobicContact CG-CB 4.5Å; F12-F175 AromaticContact CZ-CD2 3.87Å; F12-F175 HydrophobicContact CZ-CD2 3.87Å; F12-F175 HydrophobicContact CZ-CE2 4.03Å; F12-F175 HydrophobicContact CZ-CG 4.5Å; D13-F175 PolarHBondContact N-O 3.31Å; L17-F175 HydrophobicContact CD1-CB 4.35Å; L17-F175 HydrophobicContact CD2-CB 3.58Å; L17-F175 WeakPolarHBondContact CD2-O 3.49Å; L17-F175 HydrophobicContact CG-CB 4.5Å; L97-F175 HydrophobicContact CD2-CD1 4.34Å; L97-F175 HydrophobicContact CD2-CE1 3.75Å; L97-F175 HydrophobicContact CD2-CE2 4.26Å; L97-F175 HydrophobicContact CD2-CZ 3.71Å; L173-F175 HydrophobicContact CD2-CE2 3.63Å; L173-F175 HydrophobicContact CD2-CZ 3.87Å; L173-F175 HydrophobicContact CG-CD2 4.43Å; L173-F175 HydrophobicContact CG-CE2 3.95Å; F175-V193 WeakPolarHBondContact CA-O 3.48Å; F175-V193 HydrophobicContact CD1-CB 3.68Å; F175-V193 HydrophobicContact CD1-CG1 3.94Å; F175-V193 HydrophobicContact CD1-CG2 4.19Å; F175-V193 HydrophobicContact CE1-CB 3.8Å; F175-V193 HydrophobicContact CE1-CG1 3.91Å; F175-V193 HydrophobicContact CE1-CG2 3.86Å; F175-V193 HydrophobicContact CG-CB 4.28Å; F175-V193 HydrophobicContact CZ-CB 4.48Å; F175-V193 HydrophobicContact CZ-CG2 4.09Å; F175-L215 HydrophobicContact CD1-CD2 3.58Å; F175-L215 HydrophobicContact CE1-CD2 3.95Å; F175-L215 HydrophobicContact CG-CD2 4.49Å; F175-F218 HydrophobicContact CE1-CB 4.45Å; F175-F218 HydrophobicContact CE1-CD1 4.23Å; F175-F218 AromaticContact CE1-CD2 3.75Å; F175-F218 HydrophobicContact CE1-CD2 3.75Å; F175-F218 HydrophobicContact CE1-CE1 4.46Å; F175-F218 HydrophobicContact CE1-CE2 4.01Å; F175-F218 AromaticContact CE1-CG 3.87Å; F175-F218 HydrophobicContact CE1-CG 3.87Å; F175-F218 HydrophobicContact CE1-CZ 4.37Å; F175-F218 HydrophobicContact CE2-CZ 4.48Å; F175-F218 AromaticContact CZ-CD1 3.87Å; F175-F218 HydrophobicContact CZ-CD1 3.87Å; F175-F218 AromaticContact CZ-CD2 3.81Å; F175-F218 HydrophobicContact CZ-CD2 3.81Å; F175-F218 AromaticContact CZ-CE1 3.69Å; F175-F218 HydrophobicContact CZ-CE1 3.69Å; F175-F218 AromaticContact CZ-CE2 3.64Å; F175-F218 HydrophobicContact CZ-CE2 3.64Å; F175-F218 AromaticContact CZ-CG 3.93Å; F175-F218 HydrophobicContact CZ-CG 3.93Å; F175-F218 AromaticContact CZ-CZ 3.59Å; F175-F218 HydrophobicContact CZ-CZ 3.59Å |
| 176 | E | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.2 | -173.5 | -100.3 | -76.5 | -176 | 0 | 0 | 111.5 | D13 K149 Y155 V174 S178 G181 V182 V192 V193 L194 V195 | D13-E176 HydrophobicContact CB-CG 4.28Å; K149-E176 WeakPolarHBondContact CE-OE1 3.31Å; K149-E176 IonicContact NZ-OE1 3.52Å; K149-E176 PolarHBondContact NZ-OE1 3.13Å; Y155-E176 VanDerWaalsContact OH-CD 3.32Å; Y155-E176 VanDerWaalsContact OH-CG 3.26Å; Y155-E176 WeakPolarHBondContact OH-CG 3.37Å; Y155-E176 PolarHBondContact OH-OE1 2.93Å; V174-E176 HydrophobicContact CG1-CG 3.94Å; E176-S178 PolarHBondContact OE2-N 2.82Å; E176-S178 VanDerWaalsContact OE2-N 3.12Å; E176-S178 PolarHBondContact OE2-OG 3.02Å; E176-G181 WeakPolarHBondContact OE1-CA 3.45Å; E176-V182 HydrophobicContact CB-CG2 4.25Å; E176-V192 HydrophobicContact CB-CG2 4.12Å; E176-V193 PolarHBondContact N-O 3.41Å; E176-L194 CarbonylContact O-C 3.53Å; E176-L194 WeakPolarHBondContact O-CA 3.18Å; E176-V195 PolarHBondContact O-N 2.97Å |
| 177 | D | 96.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -108 | -18.2 | 172.2 | 78 | -45.9 | 0 | 0 | 0 | 112.2 | L17 L194 V195 | L17-D177 HydrophobicContact CB-CB 4.33Å; D177-L194 VanDerWaalsContact C-CD1 3.49Å; D177-L194 WeakPolarHBondContact O-CD1 3.46Å; D177-V195 WeakPolarHBondContact CA-O 3.36Å; D177-V195 WeakPolarHBondContact CB-O 2.85Å |
| 178 | S | 94.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 13% | 0.133 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -111.3 | 146.7 | -167.4 | 77 | 0 | 0 | 0 | 0 | 113.8 | E176 N180 G181 V182 | E176-S178 PolarHBondContact OE2-N 2.82Å; E176-S178 VanDerWaalsContact OE2-N 3.12Å; E176-S178 PolarHBondContact OE2-OG 3.02Å; S178-N180 PolarHBondContact O-N 3.34Å; S178-G181 PolarHBondContact O-N 2.85Å; S178-G181 PolarHBondContact OG-N 3.14Å; S178-G181 VanDerWaalsContact OG-N 3.14Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.19Å |
| 179 | P | 95 | Very high | 97.5 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 14% | 0.143 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 173.9 | -28.5 | 36.3 | 0 | 0 | 0 | 114.5 | G181 V182 E183 L200 Y204 | P179-G181 VanDerWaalsContact C-N 3.26Å; P179-G181 PolarHBondContact O-N 3.47Å; P179-V182 PolarHBondContact O-N 2.88Å; P179-E183 PolarHBondContact O-N 3.06Å; P179-L200 HydrophobicContact CG-CD1 4.07Å; P179-L200 HydrophobicContact CG-CD2 4.12Å; P179-Y204 HydrophobicContact CB-CD1 3.56Å; P179-Y204 HydrophobicContact CB-CE1 3.81Å; P179-Y204 HydrophobicContact CB-CG 4.05Å; P179-Y204 HydrophobicContact CG-CD1 3.69Å; P179-Y204 HydrophobicContact CG-CD2 4Å; P179-Y204 HydrophobicContact CG-CE1 4.06Å; P179-Y204 HydrophobicContact CG-CE2 4.35Å; P179-Y204 HydrophobicContact CG-CG 3.65Å |
| 180 | N | 94.2 | Very high | 97.6 | Very high | 42 Ų | 42 | 22.4 Ų | 22.4 | 23% | 0.225 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 179.7 | -78.7 | 22 | 0 | 0 | 0 | 111.5 | G50 K149 P150 S178 E183 A184 | G50-N180 WeakPolarHBondContact CA-ND2 3.47Å; G50-N180 PolarHBondContact O-ND2 3.2Å; G50-N180 VanDerWaalsContact O-ND2 3.09Å; K149-N180 HydrophobicContact CB-CB 4.15Å; P150-N180 WeakPolarHBondContact CA-O 3.29Å; S178-N180 PolarHBondContact O-N 3.34Å; N180-E183 PolarHBondContact O-N 2.62Å; N180-A184 WeakPolarHBondContact O-CB 3.5Å; N180-A184 PolarHBondContact O-N 3.33Å |
| 181 | G | 96.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E176 S178 P179 E183 A184 A185 | E176-G181 WeakPolarHBondContact OE1-CA 3.45Å; S178-G181 PolarHBondContact O-N 2.85Å; S178-G181 PolarHBondContact OG-N 3.14Å; S178-G181 VanDerWaalsContact OG-N 3.14Å; P179-G181 VanDerWaalsContact C-N 3.26Å; P179-G181 PolarHBondContact O-N 3.47Å; G181-E183 VanDerWaalsContact C-N 3.32Å; G181-E183 PolarHBondContact O-N 3.17Å; G181-A184 PolarHBondContact O-N 3.34Å; G181-A185 PolarHBondContact O-N 3.5Å |
| 182 | V | 97.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.036 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.4 | -49.4 | 170.7 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | E176 S178 P179 A184 A185 L186 V192 L194 P208 | E176-V182 HydrophobicContact CB-CG2 4.25Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.19Å; P179-V182 PolarHBondContact O-N 2.88Å; V182-A184 PolarHBondContact O-N 3.22Å; V182-A185 PolarHBondContact O-N 3.12Å; V182-L186 HydrophobicContact CG1-CD1 3.86Å; V182-L186 HydrophobicContact CG1-CG 4.38Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.19Å; V182-L186 PolarHBondContact O-N 2.69Å; V182-V192 HydrophobicContact CG1-CG1 3.98Å; V182-V192 HydrophobicContact CG2-CG2 4.09Å; V182-L194 HydrophobicContact CG2-CB 3.95Å; V182-L194 HydrophobicContact CG2-CD1 3.75Å; V182-L194 HydrophobicContact CG2-CD2 4.31Å; V182-L194 HydrophobicContact CG2-CG 4.19Å; V182-P208 HydrophobicContact CG1-CB 3.97Å; V182-P208 HydrophobicContact CG2-CB 4.31Å |
| 183 | E | 97.2 | Very high | 97.7 | Very high | 95 Ų | 95 | 20.2 Ų | 20.2 | 44% | 0.444 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 179.5 | -168 | -178.7 | 173.4 | 0 | 0 | 112 | P150 P179 N180 G181 A185 L186 N187 | P150-E183 HydrophobicContact CB-CB 3.76Å; P150-E183 HydrophobicContact CB-CG 3.79Å; P150-E183 WeakPolarHBondContact CB-OE2 3.47Å; P179-E183 PolarHBondContact O-N 3.06Å; N180-E183 PolarHBondContact O-N 2.62Å; G181-E183 VanDerWaalsContact C-N 3.32Å; G181-E183 PolarHBondContact O-N 3.17Å; E183-A185 PolarHBondContact O-N 2.75Å; E183-L186 PolarHBondContact O-N 3.45Å; E183-N187 VanDerWaalsContact O-CB 3.24Å; E183-N187 WeakPolarHBondContact O-CB 3.31Å; E183-N187 PolarHBondContact O-N 2.87Å; E183-N187 PolarHBondContact O-ND2 3Å |
| 184 | A | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K149 P150 Y155 N180 G181 V182 A188 | K149-A184 HydrophobicContact CB-CB 4.12Å; K149-A184 HydrophobicContact CG-CB 3.91Å; P150-A184 VanDerWaalsContact O-CA 3.23Å; P150-A184 WeakPolarHBondContact O-CA 3.22Å; Y155-A184 HydrophobicContact CD2-CB 3.74Å; Y155-A184 HydrophobicContact CE2-CB 3.83Å; N180-A184 WeakPolarHBondContact O-CB 3.5Å; N180-A184 PolarHBondContact O-N 3.33Å; G181-A184 PolarHBondContact O-N 3.34Å; V182-A184 PolarHBondContact O-N 3.22Å; A184-A188 WeakPolarHBondContact O-CB 3.35Å; A184-A188 PolarHBondContact O-N 3.01Å |
| 185 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y155 V174 G181 V182 E183 A188 G189 M190 V192 | Y155-A185 HydrophobicContact CD2-CB 4.14Å; Y155-A185 HydrophobicContact CE2-CB 4.16Å; V174-A185 HydrophobicContact CB-CB 3.77Å; V174-A185 HydrophobicContact CG1-CB 3.96Å; V174-A185 HydrophobicContact CG2-CB 3.76Å; G181-A185 PolarHBondContact O-N 3.5Å; V182-A185 PolarHBondContact O-N 3.12Å; E183-A185 PolarHBondContact O-N 2.75Å; A185-A188 WeakPolarHBondContact O-CB 3.48Å; A185-A188 PolarHBondContact O-N 2.94Å; A185-G189 PolarHBondContact O-N 2.8Å; A185-M190 WeakPolarHBondContact O-CB 3.41Å; A185-M190 PolarHBondContact O-N 2.99Å; A185-V192 HydrophobicContact CB-CB 3.82Å; A185-V192 HydrophobicContact CB-CG1 4.41Å; A185-V192 HydrophobicContact CB-CG2 3.98Å |
| 186 | L | 98.2 | Very high | 97.5 | Very high | 65 Ų | 65 | 21.1 Ų | 21.1 | 34% | 0.34 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65 | -43 | 176.6 | -67.2 | 176 | 0 | 0 | 0 | 111.6 | V182 E183 A188 G189 V192 | V182-L186 HydrophobicContact CG1-CD1 3.86Å; V182-L186 HydrophobicContact CG1-CG 4.38Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.19Å; V182-L186 PolarHBondContact O-N 2.69Å; E183-L186 PolarHBondContact O-N 3.45Å; L186-A188 PolarHBondContact O-N 2.68Å; L186-G189 WeakPolarHBondContact O-CA 3.49Å; L186-G189 PolarHBondContact O-N 3.28Å; L186-V192 HydrophobicContact CD2-CG1 3.79Å; L186-V192 HydrophobicContact CG-CG1 3.92Å |
| 187 | N | 98.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 22.7 Ų | 22.7 | 48% | 0.481 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.5 | -26.2 | 174.5 | -74.4 | -22.5 | 0 | 0 | 0 | 112.3 | P150 P152 E183 G189 | P150-N187 PolarHBondContact O-ND2 2.85Å; P150-N187 VanDerWaalsContact O-ND2 3.09Å; P152-N187 HydrophobicContact CB-CB 3.91Å; P152-N187 HydrophobicContact CG-CB 4.08Å; E183-N187 VanDerWaalsContact O-CB 3.24Å; E183-N187 WeakPolarHBondContact O-CB 3.31Å; E183-N187 PolarHBondContact O-N 2.87Å; E183-N187 PolarHBondContact O-ND2 3Å; N187-G189 PolarHBondContact O-N 3.04Å |
| 188 | A | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P152 L156 P169 A184 A185 L186 M190 | P152-A188 HydrophobicContact CB-CB 3.7Å; L156-A188 HydrophobicContact CD2-CB 3.89Å; L156-A188 HydrophobicContact CG-CB 3.95Å; P169-A188 WeakPolarHBondContact CB-O 3.34Å; A184-A188 WeakPolarHBondContact O-CB 3.35Å; A184-A188 PolarHBondContact O-N 3.01Å; A185-A188 WeakPolarHBondContact O-CB 3.48Å; A185-A188 PolarHBondContact O-N 2.94Å; L186-A188 PolarHBondContact O-N 2.68Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 HydrophobicContact CB-CE 4.04Å; A188-M190 HydrophobicContact CB-CG 3.94Å; A188-M190 HydrophobicContact CB-SD 4.09Å |
| 189 | G | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 31.9 Ų | 31.9 | 43% | 0.433 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 19.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P169 S170 A185 L186 N187 | P169-G189 CarbonylContact C-O 3.54Å; P169-G189 VanDerWaalsContact C-O 3.28Å; P169-G189 WeakPolarHBondContact CB-O 3.5Å; S170-G189 WeakPolarHBondContact CA-O 3.37Å; S170-G189 PolarHBondContact N-O 3.44Å; S170-G189 VanDerWaalsContact N-O 3.14Å; A185-G189 PolarHBondContact O-N 2.8Å; L186-G189 WeakPolarHBondContact O-CA 3.49Å; L186-G189 PolarHBondContact O-N 3.28Å; N187-G189 PolarHBondContact O-N 3.04Å |
| 190 | M | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | trans | -94.7 | 162.9 | -178.1 | -57.3 | -179.4 | 178.4 | 0 | 0 | 111.7 | I11 Y155 L156 A159 P169 V172 V174 A185 A188 | I11-M190 HydrophobicContact CD1-SD 4.44Å; Y155-M190 WeakPolarHBondContact O-CE 3.26Å; L156-M190 HydrophobicContact CD2-CE 4.4Å; A159-M190 HydrophobicContact CB-CE 3.51Å; P169-M190 HydrophobicContact CB-CG 4.11Å; P169-M190 WeakPolarHBondContact O-CA 3.25Å; P169-M190 WeakPolarHBondContact O-CG 3.3Å; V172-M190 HydrophobicContact CB-CB 4.41Å; V172-M190 HydrophobicContact CB-CE 4.38Å; V172-M190 HydrophobicContact CB-CG 4.01Å; V172-M190 HydrophobicContact CB-SD 3.95Å; V172-M190 HydrophobicContact CG1-CE 4.34Å; V172-M190 HydrophobicContact CG1-CG 4.42Å; V172-M190 HydrophobicContact CG1-SD 3.74Å; V172-M190 HydrophobicContact CG2-CE 4.38Å; V174-M190 HydrophobicContact CG2-CB 4.15Å; V174-M190 HydrophobicContact CG2-SD 3.72Å; A185-M190 WeakPolarHBondContact O-CB 3.41Å; A185-M190 PolarHBondContact O-N 2.99Å; A188-M190 VanDerWaalsContact C-N 3.34Å; A188-M190 HydrophobicContact CB-CE 4.04Å; A188-M190 HydrophobicContact CB-CG 3.94Å; A188-M190 HydrophobicContact CB-SD 4.09Å | ||
| 191 | Q | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 147.7 | 167.9 | -63.9 | -178.7 | 92.2 | 0 | 0 | 109.4 | H5 V7 S170 V172 L173 V174 T209 F223 | H5-Q191 PolarHBondContact O-NE2 3.35Å; H5-Q191 PolarHBondContact O-OE1 3.26Å; V7-Q191 VanDerWaalsContact CG2-NE2 3.26Å; S170-Q191 PolarHBondContact O-NE2 3.27Å; V172-Q191 PolarHBondContact O-N 3.2Å; L173-Q191 WeakPolarHBondContact CA-O 3.26Å; L173-Q191 HydrophobicContact CD1-CB 3.7Å; V174-Q191 PolarHBondContact N-O 2.85Å; Q191-T209 WeakPolarHBondContact CA-OG1 3.36Å; Q191-T209 HydrophobicContact CB-CG2 4.28Å; Q191-T209 HydrophobicContact CG-CG2 4.38Å; Q191-F223 HydrophobicContact CB-CE1 4.2Å |
| 192 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.5 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | V174 E176 V182 A185 L186 P208 T209 L210 | V174-V192 HydrophobicContact CB-CB 4.34Å; V174-V192 HydrophobicContact CB-CG2 4.14Å; V174-V192 HydrophobicContact CG1-CG2 4.27Å; V174-V192 CarbonylContact O-C 3.55Å; V174-V192 VanDerWaalsContact O-CA 3.27Å; V174-V192 WeakPolarHBondContact O-CA 3.2Å; E176-V192 HydrophobicContact CB-CG2 4.12Å; V182-V192 HydrophobicContact CG1-CG1 3.98Å; V182-V192 HydrophobicContact CG2-CG2 4.09Å; A185-V192 HydrophobicContact CB-CB 3.82Å; A185-V192 HydrophobicContact CB-CG1 4.41Å; A185-V192 HydrophobicContact CB-CG2 3.98Å; L186-V192 HydrophobicContact CD2-CG1 3.79Å; L186-V192 HydrophobicContact CG-CG1 3.92Å; V192-P208 HydrophobicContact CG1-CB 3.96Å; V192-T209 PolarHBondContact N-OG1 3.02Å; V192-T209 WeakPolarHBondContact O-CA 3.5Å; V192-T209 VanDerWaalsContact O-CB 3.24Å; V192-T209 WeakPolarHBondContact O-CB 3.39Å; V192-T209 PolarHBondContact O-N 3.38Å; V192-L210 PolarHBondContact O-N 3.18Å; V192-L210 VanDerWaalsContact O-N 3.11Å |
| 193 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.5 | 168.2 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | L173 V174 F175 E176 V195 L210 I212 F218 F223 | L173-V193 HydrophobicContact CD1-CG2 3.82Å; L173-V193 HydrophobicContact CD2-CG2 4.12Å; L173-V193 HydrophobicContact CG-CG2 4.15Å; V174-V193 PolarHBondContact O-N 3.23Å; F175-V193 WeakPolarHBondContact CA-O 3.48Å; F175-V193 HydrophobicContact CD1-CB 3.68Å; F175-V193 HydrophobicContact CD1-CG1 3.94Å; F175-V193 HydrophobicContact CD1-CG2 4.19Å; F175-V193 HydrophobicContact CE1-CB 3.8Å; F175-V193 HydrophobicContact CE1-CG1 3.91Å; F175-V193 HydrophobicContact CE1-CG2 3.86Å; F175-V193 HydrophobicContact CG-CB 4.28Å; F175-V193 HydrophobicContact CZ-CB 4.48Å; F175-V193 HydrophobicContact CZ-CG2 4.09Å; E176-V193 PolarHBondContact N-O 3.41Å; V193-V195 HydrophobicContact CG1-CG2 4.25Å; V193-L210 CarbonylContact C-O 3.52Å; V193-L210 VanDerWaalsContact CA-O 3.28Å; V193-L210 WeakPolarHBondContact CA-O 3.42Å; V193-L210 HydrophobicContact CG1-CD2 4.39Å; V193-L210 HydrophobicContact CG1-CG 4.48Å; V193-L210 HydrophobicContact CG2-CB 4.35Å; V193-L210 HydrophobicContact CG2-CD2 4.44Å; V193-I212 HydrophobicContact CG1-CD1 3.64Å; V193-I212 HydrophobicContact CG1-CG1 3.84Å; V193-F218 HydrophobicContact CG1-CD2 4.46Å; V193-F218 HydrophobicContact CG2-CD2 4.2Å; V193-F218 HydrophobicContact CG2-CE2 3.87Å; V193-F223 HydrophobicContact CG2-CE2 4.22Å; V193-F223 HydrophobicContact CG2-CZ 4.2Å |
| 194 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.7 | 171.2 | 178.9 | 58.9 | 0 | 0 | 0 | 110 | E176 D177 V182 P196 Y204 P208 L210 C211 I212 | E176-L194 CarbonylContact O-C 3.53Å; E176-L194 WeakPolarHBondContact O-CA 3.18Å; D177-L194 VanDerWaalsContact C-CD1 3.49Å; D177-L194 WeakPolarHBondContact O-CD1 3.46Å; V182-L194 HydrophobicContact CG2-CB 3.95Å; V182-L194 HydrophobicContact CG2-CD1 3.75Å; V182-L194 HydrophobicContact CG2-CD2 4.31Å; V182-L194 HydrophobicContact CG2-CG 4.19Å; L194-P196 HydrophobicContact CD1-CB 3.99Å; L194-P196 HydrophobicContact CD2-CB 4.24Å; L194-P196 HydrophobicContact CD2-CG 4.21Å; L194-P196 HydrophobicContact CG-CB 3.97Å; L194-P196 HydrophobicContact CG-CG 3.97Å; L194-Y204 WeakPolarHBondContact CD2-O 3.24Å; L194-P208 HydrophobicContact CB-CB 3.76Å; L194-P208 HydrophobicContact CB-CG 3.63Å; L194-P208 HydrophobicContact CD2-CG 4.02Å; L194-P208 HydrophobicContact CG-CG 4.49Å; L194-L210 PolarHBondContact N-O 3.23Å; L194-C211 WeakPolarHBondContact O-CA 3.44Å; L194-I212 PolarHBondContact O-N 3.47Å |
| 195 | V | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | trans | -121.3 | 79.5 | 170.5 | -167.2 | 0 | 0 | 0 | 0 | 108 | L17 E176 D177 V193 I212 L215 | L17-V195 HydrophobicContact CD1-CB 3.8Å; L17-V195 HydrophobicContact CD1-CG2 3.86Å; E176-V195 PolarHBondContact O-N 2.97Å; D177-V195 WeakPolarHBondContact CA-O 3.36Å; D177-V195 WeakPolarHBondContact CB-O 2.85Å; V193-V195 HydrophobicContact CG1-CG2 4.25Å; V195-I212 HydrophobicContact CG2-CD1 4.09Å; V195-I212 HydrophobicContact CG2-CG1 3.77Å; V195-L215 HydrophobicContact CG2-CD2 3.8Å; V195-L215 HydrophobicContact CG2-CG 4.34Å | ||
| 196 | P | 96.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | trans | -85.7 | 160.3 | -167.9 | 33.8 | -28.5 | 0 | 0 | 0 | 111.7 | L194 L200 I212 | L194-P196 HydrophobicContact CD1-CB 3.99Å; L194-P196 HydrophobicContact CD2-CB 4.24Å; L194-P196 HydrophobicContact CD2-CG 4.21Å; L194-P196 HydrophobicContact CG-CB 3.97Å; L194-P196 HydrophobicContact CG-CG 3.97Å; P196-L200 HydrophobicContact CB-CB 4.08Å; P196-L200 HydrophobicContact CB-CD2 3.43Å; P196-L200 VanDerWaalsContact CB-CD2 3.43Å; P196-L200 HydrophobicContact CB-CG 4.39Å; P196-L200 HydrophobicContact CG-CD2 4.44Å; P196-I212 VanDerWaalsContact CD-O 3.29Å; P196-I212 WeakPolarHBondContact CD-O 3.42Å | ||
| 197 | D | 94.7 | Very high | 95.8 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | trans | -52.7 | 136.5 | 161.8 | -172 | -64.7 | 0 | 0 | 0 | 109.8 | W42 R199 L200 | W42-D197 HydrophobicContact CH2-CB 3.71Å; W42-D197 HydrophobicContact CZ3-CB 4.18Å; D197-R199 PolarHBondContact O-N 3.33Å; D197-R199 VanDerWaalsContact OD1-CB 3.24Å; D197-R199 WeakPolarHBondContact OD1-CB 3.49Å; D197-R199 WeakPolarHBondContact OD1-CG 3.45Å; D197-R199 IonicContact OD1-CZ 3.53Å; D197-R199 PolarHBondContact OD1-N 3.07Å; D197-R199 IonicContact OD1-NE 3.66Å; D197-R199 PolarHBondContact OD1-NE 3.35Å; D197-R199 IonicContact OD1-NH2 3.51Å; D197-R199 IonicContact OD2-CZ 3.58Å; D197-R199 IonicContact OD2-NE 3.78Å; D197-R199 PolarHBondContact OD2-NE 3.24Å; D197-R199 IonicContact OD2-NH2 2.72Å; D197-R199 PolarHBondContact OD2-NH2 3.09Å; D197-L200 VanDerWaalsContact O-CB 3.24Å; D197-L200 WeakPolarHBondContact O-CB 3.24Å; D197-L200 PolarHBondContact O-N 3.22Å | ||
| 198 | P | 94.7 | Very high | 95.8 | Very high | 109 Ų | 109 | 58 Ų | 58 | 71% | 0.708 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.7 | -178.5 | 22.8 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 199 | R | 94.8 | Very high | 95.7 | Very high | 125 Ų | 125 | 59.1 Ų | 59.1 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.9 | 178.1 | -58.1 | 167.3 | -71.4 | -168.3 | -3.6 | 113.5 | W42 D197 | W42-R199 HydrophobicContact CD2-CB 3.82Å; W42-R199 VanDerWaalsContact CE2-CB 3.42Å; W42-R199 HydrophobicContact CE3-CB 4.32Å; W42-R199 HydrophobicContact CG-CB 4.31Å; W42-R199 HydrophobicContact CH2-CB 4.13Å; W42-R199 VanDerWaalsContact CZ2-C 3.45Å; W42-R199 HydrophobicContact CZ2-CB 3.62Å; W42-R199 WeakPolarHBondContact CZ2-O 3.37Å; W42-R199 HydrophobicContact CZ3-CB 4.44Å; W42-R199 PolarHBondContact NE1-O 2.86Å; D197-R199 PolarHBondContact O-N 3.33Å; D197-R199 VanDerWaalsContact OD1-CB 3.24Å; D197-R199 WeakPolarHBondContact OD1-CB 3.49Å; D197-R199 WeakPolarHBondContact OD1-CG 3.45Å; D197-R199 IonicContact OD1-CZ 3.53Å; D197-R199 PolarHBondContact OD1-N 3.07Å; D197-R199 IonicContact OD1-NE 3.66Å; D197-R199 PolarHBondContact OD1-NE 3.35Å; D197-R199 IonicContact OD1-NH2 3.51Å; D197-R199 IonicContact OD2-CZ 3.58Å; D197-R199 IonicContact OD2-NE 3.78Å; D197-R199 PolarHBondContact OD2-NE 3.24Å; D197-R199 IonicContact OD2-NH2 2.72Å; D197-R199 PolarHBondContact OD2-NH2 3.09Å |
| 200 | L | 93.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -61.9 | 140.2 | 177 | -170.4 | 69.4 | 0 | 0 | 0 | 111 | M49 P179 P196 D197 K202 Y204 | M49-L200 HydrophobicContact SD-CD1 4.14Å; P179-L200 HydrophobicContact CG-CD1 4.07Å; P179-L200 HydrophobicContact CG-CD2 4.12Å; P196-L200 HydrophobicContact CB-CB 4.08Å; P196-L200 HydrophobicContact CB-CD2 3.43Å; P196-L200 VanDerWaalsContact CB-CD2 3.43Å; P196-L200 HydrophobicContact CB-CG 4.39Å; P196-L200 HydrophobicContact CG-CD2 4.44Å; D197-L200 VanDerWaalsContact O-CB 3.24Å; D197-L200 WeakPolarHBondContact O-CB 3.24Å; D197-L200 PolarHBondContact O-N 3.22Å; L200-K202 PolarHBondContact O-N 2.75Å; L200-Y204 HydrophobicContact CD1-CD2 4.04Å; L200-Y204 HydrophobicContact CD2-CD2 4.49Å; L200-Y204 HydrophobicContact CG-CD2 4.1Å |
| 201 | D | 92.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | trans | -57.6 | 133.1 | 178.2 | -172.8 | -51.6 | 0 | 0 | 0 | 111 | R203 Y204 | D201-R203 VanDerWaalsContact CG-NE 3.32Å; D201-R203 PolarHBondContact O-N 3.09Å; D201-R203 VanDerWaalsContact O-N 3.11Å; D201-R203 WeakPolarHBondContact OD1-CB 3.34Å; D201-R203 VanDerWaalsContact OD1-CG 3.25Å; D201-R203 WeakPolarHBondContact OD1-CG 3.44Å; D201-R203 IonicContact OD1-CZ 3.95Å; D201-R203 PolarHBondContact OD1-N 2.8Å; D201-R203 IonicContact OD1-NE 3.91Å; D201-R203 PolarHBondContact OD1-NE 3.11Å; D201-R203 IonicContact OD1-NH2 3Å; D201-R203 IonicContact OD2-CZ 2.75Å; D201-R203 IonicContact OD2-NE 3Å; D201-R203 PolarHBondContact OD2-NE 2.9Å; D201-R203 VanDerWaalsContact OD2-NE 3.09Å; D201-R203 IonicContact OD2-NH2 3.09Å; D201-R203 PolarHBondContact OD2-NH2 3Å; D201-Y204 HydrophobicContact CB-CD2 3.93Å; D201-Y204 HydrophobicContact CB-CE2 4.08Å; D201-Y204 PolarHBondContact O-N 2.93Å; D201-Y204 VanDerWaalsContact O-N 3.13Å | ||
| 202 | K | 93.6 | Very high | 95.7 | Very high | 168 Ų | 168 | 60.7 Ų | 60.7 | 73% | 0.73 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -58.8 | -26.4 | -175.5 | -65.7 | -174.8 | 179.6 | -176.5 | 0 | 113.5 | L200 Y204 R205 | L200-K202 PolarHBondContact O-N 2.75Å; K202-Y204 PolarHBondContact O-N 3.46Å; K202-R205 WeakPolarHBondContact O-CB 3.48Å; K202-R205 PolarHBondContact O-N 2.9Å |
| 203 | R | 94.1 | Very high | 95.6 | Very high | 155 Ų | 155 | 65.8 Ų | 65.8 | 59% | 0.585 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -58.4 | -32.4 | 178.7 | -66.2 | 175.3 | -67.4 | 150.1 | 0.2 | 112.2 | D201 R205 | D201-R203 VanDerWaalsContact CG-NE 3.32Å; D201-R203 PolarHBondContact O-N 3.09Å; D201-R203 VanDerWaalsContact O-N 3.11Å; D201-R203 WeakPolarHBondContact OD1-CB 3.34Å; D201-R203 VanDerWaalsContact OD1-CG 3.25Å; D201-R203 WeakPolarHBondContact OD1-CG 3.44Å; D201-R203 IonicContact OD1-CZ 3.95Å; D201-R203 PolarHBondContact OD1-N 2.8Å; D201-R203 IonicContact OD1-NE 3.91Å; D201-R203 PolarHBondContact OD1-NE 3.11Å; D201-R203 IonicContact OD1-NH2 3Å; D201-R203 IonicContact OD2-CZ 2.75Å; D201-R203 IonicContact OD2-NE 3Å; D201-R203 PolarHBondContact OD2-NE 2.9Å; D201-R203 VanDerWaalsContact OD2-NE 3.09Å; D201-R203 IonicContact OD2-NH2 3.09Å; D201-R203 PolarHBondContact OD2-NH2 3Å; R203-R205 PolarHBondContact O-N 3Å |
| 204 | Y | 93.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 66.9 Ų | 66.9 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -74.6 | -13 | 178.1 | -62.9 | -66.7 | 0 | 0 | 0 | 113.7 | P179 L194 L200 D201 K202 E206 P208 | P179-Y204 HydrophobicContact CB-CD1 3.56Å; P179-Y204 HydrophobicContact CB-CE1 3.81Å; P179-Y204 HydrophobicContact CB-CG 4.05Å; P179-Y204 HydrophobicContact CG-CD1 3.69Å; P179-Y204 HydrophobicContact CG-CD2 4Å; P179-Y204 HydrophobicContact CG-CE1 4.06Å; P179-Y204 HydrophobicContact CG-CE2 4.35Å; P179-Y204 HydrophobicContact CG-CG 3.65Å; L194-Y204 WeakPolarHBondContact CD2-O 3.24Å; L200-Y204 HydrophobicContact CD1-CD2 4.04Å; L200-Y204 HydrophobicContact CD2-CD2 4.49Å; L200-Y204 HydrophobicContact CG-CD2 4.1Å; D201-Y204 HydrophobicContact CB-CD2 3.93Å; D201-Y204 HydrophobicContact CB-CE2 4.08Å; D201-Y204 PolarHBondContact O-N 2.93Å; D201-Y204 VanDerWaalsContact O-N 3.13Å; K202-Y204 PolarHBondContact O-N 3.46Å; Y204-E206 VanDerWaalsContact C-N 3.34Å; Y204-P208 WeakPolarHBondContact O-CD 3.43Å |
| 205 | R | 93.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 67 Ų | 67 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -82.7 | -8.8 | -179.6 | -59.2 | -174.6 | 172.7 | -139.6 | -5.3 | 113.6 | K202 R203 C211 D213 | K202-R205 WeakPolarHBondContact O-CB 3.48Å; K202-R205 PolarHBondContact O-N 2.9Å; R203-R205 PolarHBondContact O-N 3Å; R205-C211 HydrophobicContact CB-CB 4.35Å; R205-D213 IonicContact CZ-OD1 2.69Å; R205-D213 IonicContact NH1-OD1 3.69Å; R205-D213 PolarHBondContact NH1-OD1 2.83Å; R205-D213 IonicContact NH2-OD1 3.65Å |
| 206 | E | 92.7 | Very high | 95.6 | Very high | 158 Ų | 158 | 70.1 Ų | 70.1 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -90.4 | -21.4 | -175 | -61.8 | -175.4 | 172.9 | 0 | 0 | 114.1 | Y204 | Y204-E206 VanDerWaalsContact C-N 3.34Š|
| 207 | H | 91.6 | Very high | 95.7 | Very high | 125 Ų | 125 | 74 Ų | 74 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -89.3 | -31.5 | -175.2 | -58.2 | -52.9 | 0 | 0 | 0 | 117.6 | ||
| 208 | P | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -68.2 | 162.3 | -179.2 | 31.1 | -36.6 | 0 | 0 | 0 | 110.9 | V182 V192 L194 Y204 L210 C211 | V182-P208 HydrophobicContact CG1-CB 3.97Å; V182-P208 HydrophobicContact CG2-CB 4.31Å; V192-P208 HydrophobicContact CG1-CB 3.96Å; L194-P208 HydrophobicContact CB-CB 3.76Å; L194-P208 HydrophobicContact CB-CG 3.63Å; L194-P208 HydrophobicContact CD2-CG 4.02Å; L194-P208 HydrophobicContact CG-CG 4.49Å; Y204-P208 WeakPolarHBondContact O-CD 3.43Å; P208-L210 PolarHBondContact O-N 2.97Å; P208-C211 HydrophobicContact CG-CB 4Å |
| 209 | T | 97.8 | Very high | 96 | Very high | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -60.4 | -39.8 | 174.8 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | F4 Q191 V192 F223 | F4-T209 HydrophobicContact CD1-CG2 3.69Å; F4-T209 HydrophobicContact CE1-CG2 3.94Å; F4-T209 WeakPolarHBondContact CE1-O 3.43Å; Q191-T209 WeakPolarHBondContact CA-OG1 3.36Å; Q191-T209 HydrophobicContact CB-CG2 4.28Å; Q191-T209 HydrophobicContact CG-CG2 4.38Å; V192-T209 PolarHBondContact N-OG1 3.02Å; V192-T209 WeakPolarHBondContact O-CA 3.5Å; V192-T209 VanDerWaalsContact O-CB 3.24Å; V192-T209 WeakPolarHBondContact O-CB 3.39Å; V192-T209 PolarHBondContact O-N 3.38Å; T209-F223 HydrophobicContact CG2-CE1 3.97Å; T209-F223 HydrophobicContact CG2-CZ 4.25Å |
| 210 | L | 97.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.5 | 173.3 | 178 | 64.6 | 0 | 0 | 0 | 109.2 | F4 V192 V193 L194 P208 I212 F218 L222 F223 | F4-L210 HydrophobicContact CE1-CB 4.22Å; F4-L210 HydrophobicContact CZ-CD1 4.4Å; V192-L210 PolarHBondContact O-N 3.18Å; V192-L210 VanDerWaalsContact O-N 3.11Å; V193-L210 CarbonylContact C-O 3.52Å; V193-L210 VanDerWaalsContact CA-O 3.28Å; V193-L210 WeakPolarHBondContact CA-O 3.42Å; V193-L210 HydrophobicContact CG1-CD2 4.39Å; V193-L210 HydrophobicContact CG1-CG 4.48Å; V193-L210 HydrophobicContact CG2-CB 4.35Å; V193-L210 HydrophobicContact CG2-CD2 4.44Å; L194-L210 PolarHBondContact N-O 3.23Å; P208-L210 PolarHBondContact O-N 2.97Å; L210-I212 HydrophobicContact CD1-CG2 4.24Å; L210-I212 HydrophobicContact CD2-CG2 3.99Å; L210-I212 HydrophobicContact CG-CG2 3.94Å; L210-F218 HydrophobicContact CD2-CD2 4.3Å; L210-L222 HydrophobicContact CD2-CD1 4.35Å; L210-F223 HydrophobicContact CB-CZ 4.17Å; L210-F223 HydrophobicContact CD2-CE2 3.99Å; L210-F223 HydrophobicContact CD2-CZ 4.45Å |
| 211 | C | 98 | Very high | 96.3 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 25% | 0.25 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.5 | 168.5 | -171 | 0 | 0 | 0 | 0 | 108.8 | L194 R205 P208 | L194-C211 WeakPolarHBondContact O-CA 3.44Å; R205-C211 HydrophobicContact CB-CB 4.35Å; P208-C211 HydrophobicContact CG-CB 4Å |
| 212 | I | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | trans | -133.4 | 158.8 | 176.6 | 59.2 | -174.7 | 0 | 0 | 0 | 109.8 | V193 L194 V195 P196 L210 S214 D217 F218 | V193-I212 HydrophobicContact CG1-CD1 3.64Å; V193-I212 HydrophobicContact CG1-CG1 3.84Å; L194-I212 PolarHBondContact O-N 3.47Å; V195-I212 HydrophobicContact CG2-CD1 4.09Å; V195-I212 HydrophobicContact CG2-CG1 3.77Å; P196-I212 VanDerWaalsContact CD-O 3.29Å; P196-I212 WeakPolarHBondContact CD-O 3.42Å; L210-I212 HydrophobicContact CD1-CG2 4.24Å; L210-I212 HydrophobicContact CD2-CG2 3.99Å; L210-I212 HydrophobicContact CG-CG2 3.94Å; I212-S214 VanDerWaalsContact CD1-O 3.23Å; I212-S214 WeakPolarHBondContact CD1-O 3.49Å; I212-D217 HydrophobicContact CB-CB 4.16Å; I212-D217 HydrophobicContact CG2-CB 4.37Å; I212-F218 HydrophobicContact CD1-CB 3.72Å; I212-F218 HydrophobicContact CD1-CD2 4.33Å | ||
| 213 | D | 97.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -87.8 | -19.2 | -178.1 | -66 | -45.3 | 0 | 0 | 0 | 112.5 | R205 | R205-D213 IonicContact CZ-OD1 2.69Å; R205-D213 IonicContact NH1-OD1 3.69Å; R205-D213 PolarHBondContact NH1-OD1 2.83Å; R205-D213 IonicContact NH2-OD1 3.65Å |
| 214 | S | 98.5 | Very high | 96.8 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | trans | -149 | 153.4 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | P92 I212 L216 D217 | P92-S214 PolarHBondContact O-OG 3.08Å; I212-S214 VanDerWaalsContact CD1-O 3.23Å; I212-S214 WeakPolarHBondContact CD1-O 3.49Å; S214-L216 PolarHBondContact O-N 3.25Å; S214-L216 VanDerWaalsContact O-N 3.12Å; S214-L216 WeakPolarHBondContact OG-CB 3.12Å; S214-L216 PolarHBondContact OG-N 3.31Å; S214-L216 VanDerWaalsContact OG-N 3.1Å; S214-D217 PolarHBondContact N-OD2 3.46Å; S214-D217 VanDerWaalsContact N-OD2 3.11Å; S214-D217 WeakPolarHBondContact O-CB 3.28Å; S214-D217 PolarHBondContact O-N 3.21Å | ||
| 215 | L | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -60.7 | -17.1 | 166 | -63.8 | 171.6 | 0 | 0 | 0 | 112.1 | L17 L18 P92 A94 R96 L97 F175 V195 D217 F218 | L17-L215 HydrophobicContact CD1-CD1 4.4Å; L17-L215 HydrophobicContact CD1-CD2 4.1Å; L17-L215 HydrophobicContact CD1-CG 4.42Å; L17-L215 WeakPolarHBondContact O-CD1 3.25Å; L18-L215 HydrophobicContact CD2-CD1 4.28Å; P92-L215 WeakPolarHBondContact O-CB 3.34Å; A94-L215 HydrophobicContact CB-CD1 3.92Å; R96-L215 PolarHBondContact NH2-O 3.41Å; L97-L215 HydrophobicContact CD2-CD2 3.96Å; F175-L215 HydrophobicContact CD1-CD2 3.58Å; F175-L215 HydrophobicContact CE1-CD2 3.95Å; F175-L215 HydrophobicContact CG-CD2 4.49Å; V195-L215 HydrophobicContact CG2-CD2 3.8Å; V195-L215 HydrophobicContact CG2-CG 4.34Å; L215-D217 PolarHBondContact O-N 2.94Å; L215-F218 PolarHBondContact O-N 2.81Å |
| 216 | L | 98 | Very high | 97.2 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -64.2 | -26.7 | 170.3 | -68.9 | 174.7 | 0 | 0 | 0 | 113.3 | P92 R96 S214 | P92-L216 HydrophobicContact CB-CD1 3.84Å; P92-L216 HydrophobicContact CB-CG 4.2Å; R96-L216 PolarHBondContact NH2-O 3.33Å; S214-L216 PolarHBondContact O-N 3.25Å; S214-L216 VanDerWaalsContact O-N 3.12Å; S214-L216 WeakPolarHBondContact OG-CB 3.12Å; S214-L216 PolarHBondContact OG-N 3.31Å; S214-L216 VanDerWaalsContact OG-N 3.1Å |
| 217 | D | 98 | Very high | 97.4 | Very high | 87 Ų | 87 | 48 Ų | 48 | 47% | 0.465 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -91.5 | -6.3 | -176 | -54.9 | -44 | 0 | 0 | 0 | 113 | I212 S214 L215 | I212-D217 HydrophobicContact CB-CB 4.16Å; I212-D217 HydrophobicContact CG2-CB 4.37Å; S214-D217 PolarHBondContact N-OD2 3.46Å; S214-D217 VanDerWaalsContact N-OD2 3.11Å; S214-D217 WeakPolarHBondContact O-CB 3.28Å; S214-D217 PolarHBondContact O-N 3.21Å; L215-D217 PolarHBondContact O-N 2.94Å |
| 218 | F | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | trans | -65.8 | 138.1 | -179.5 | -178.5 | -111.6 | 0 | 0 | 0 | 111.3 | L97 L173 F175 V193 L210 I212 L215 P220 F223 L225 F228 | L97-F218 HydrophobicContact CD1-CD1 3.74Å; L97-F218 HydrophobicContact CD1-CE1 4.03Å; L97-F218 HydrophobicContact CD2-CD1 4.22Å; L173-F218 HydrophobicContact CD2-CE2 4.03Å; L173-F218 HydrophobicContact CD2-CZ 3.7Å; F175-F218 HydrophobicContact CE1-CB 4.45Å; F175-F218 HydrophobicContact CE1-CD1 4.23Å; F175-F218 AromaticContact CE1-CD2 3.75Å; F175-F218 HydrophobicContact CE1-CD2 3.75Å; F175-F218 HydrophobicContact CE1-CE1 4.46Å; F175-F218 HydrophobicContact CE1-CE2 4.01Å; F175-F218 AromaticContact CE1-CG 3.87Å; F175-F218 HydrophobicContact CE1-CG 3.87Å; F175-F218 HydrophobicContact CE1-CZ 4.37Å; F175-F218 HydrophobicContact CE2-CZ 4.48Å; F175-F218 AromaticContact CZ-CD1 3.87Å; F175-F218 HydrophobicContact CZ-CD1 3.87Å; F175-F218 AromaticContact CZ-CD2 3.81Å; F175-F218 HydrophobicContact CZ-CD2 3.81Å; F175-F218 AromaticContact CZ-CE1 3.69Å; F175-F218 HydrophobicContact CZ-CE1 3.69Å; F175-F218 AromaticContact CZ-CE2 3.64Å; F175-F218 HydrophobicContact CZ-CE2 3.64Å; F175-F218 AromaticContact CZ-CG 3.93Å; F175-F218 HydrophobicContact CZ-CG 3.93Å; F175-F218 AromaticContact CZ-CZ 3.59Å; F175-F218 HydrophobicContact CZ-CZ 3.59Å; V193-F218 HydrophobicContact CG1-CD2 4.46Å; V193-F218 HydrophobicContact CG2-CD2 4.2Å; V193-F218 HydrophobicContact CG2-CE2 3.87Å; L210-F218 HydrophobicContact CD2-CD2 4.3Å; I212-F218 HydrophobicContact CD1-CB 3.72Å; I212-F218 HydrophobicContact CD1-CD2 4.33Å; L215-F218 PolarHBondContact O-N 2.81Å; F218-P220 HydrophobicContact CD1-CG 4Å; F218-P220 HydrophobicContact CE1-CB 4.03Å; F218-P220 HydrophobicContact CE1-CG 3.82Å; F218-F223 AromaticContact CE2-CD2 3.65Å; F218-F223 HydrophobicContact CE2-CD2 3.65Å; F218-F223 AromaticContact CE2-CE2 3.64Å; F218-F223 HydrophobicContact CE2-CE2 3.64Å; F218-F223 AromaticContact CZ-CD2 3.79Å; F218-F223 HydrophobicContact CZ-CD2 3.79Å; F218-F223 HydrophobicContact CZ-CE2 4.26Å; F218-L225 HydrophobicContact CZ-CD1 4.48Å; F218-F228 WeakPolarHBondContact O-CE2 3.31Å | ||
| 219 | K | 97.1 | Very high | 97 | Very high | 117 Ų | 117 | 48 Ų | 48 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | trans | -118.7 | 99.8 | 177.7 | -68.4 | -175.1 | -176.1 | -179.2 | 0 | 110.1 | E221 L222 | K219-E221 VanDerWaalsContact C-N 3.25Å; K219-E221 PolarHBondContact O-N 3.05Å; K219-L222 HydrophobicContact CB-CD1 3.88Å; K219-L222 HydrophobicContact CB-CG 3.88Å; K219-L222 WeakPolarHBondContact O-CB 3.25Å; K219-L222 PolarHBondContact O-N 3.39Å; K219-L222 VanDerWaalsContact O-N 3.15Å | ||
| 220 | P | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -54.2 | -37.5 | -175.3 | -27.6 | 34.7 | 0 | 0 | 0 | 114.1 | F218 L222 F223 L225 P226 F228 | F218-P220 HydrophobicContact CD1-CG 4Å; F218-P220 HydrophobicContact CE1-CB 4.03Å; F218-P220 HydrophobicContact CE1-CG 3.82Å; P220-L222 PolarHBondContact O-N 2.97Å; P220-L222 VanDerWaalsContact O-N 3.14Å; P220-F223 PolarHBondContact O-N 3.46Å; P220-L225 CarbonylContact C-O 3.47Å; P220-L225 HydrophobicContact CB-CB 3.71Å; P220-L225 WeakPolarHBondContact O-CB 3.19Å; P220-L225 PolarHBondContact O-N 3.21Å; P220-L225 VanDerWaalsContact O-N 3.12Å; P220-P226 WeakPolarHBondContact CB-O 3.39Å; P220-F228 VanDerWaalsContact CD-CE2 3.45Å; P220-F228 HydrophobicContact CG-CD2 3.87Å; P220-F228 HydrophobicContact CG-CE1 4.49Å; P220-F228 HydrophobicContact CG-CE2 3.58Å; P220-F228 HydrophobicContact CG-CG 4.45Å; P220-F228 HydrophobicContact CG-CZ 3.92Å |
| 221 | E | 96.7 | Very high | 93.8 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.6 | -22.4 | -177.7 | 60.5 | -81.6 | -176.8 | 0 | 0 | 114.5 | K219 F223 G224 L225 S227 | K219-E221 VanDerWaalsContact C-N 3.25Å; K219-E221 PolarHBondContact O-N 3.05Å; E221-F223 PolarHBondContact O-N 2.69Å; E221-G224 PolarHBondContact O-N 2.89Å; E221-G224 VanDerWaalsContact O-N 3.12Å; E221-L225 WeakPolarHBondContact CA-O 3.32Å; E221-L225 PolarHBondContact N-O 3.26Å; E221-S227 WeakPolarHBondContact CB-OG 3.34Å; E221-S227 WeakPolarHBondContact OE2-CB 3.4Å; E221-S227 PolarHBondContact OE2-OG 2.93Å |
| 222 | L | 97.1 | Very high | 91.8 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59.5 | -28.8 | 174.4 | -65.7 | -179.8 | 0 | 0 | 0 | 111.8 | F4 L210 K219 P220 | F4-L222 WeakPolarHBondContact CB-O 3.44Å; F4-L222 HydrophobicContact CD2-CB 3.89Å; F4-L222 HydrophobicContact CD2-CD2 4.37Å; F4-L222 HydrophobicContact CE2-CB 4.05Å; F4-L222 HydrophobicContact CE2-CD1 4.11Å; F4-L222 HydrophobicContact CE2-CD2 4.1Å; F4-L222 HydrophobicContact CE2-CG 4.32Å; F4-L222 HydrophobicContact CG-CB 4.48Å; F4-L222 HydrophobicContact CZ-CD1 4.44Å; L210-L222 HydrophobicContact CD2-CD1 4.35Å; K219-L222 HydrophobicContact CB-CD1 3.88Å; K219-L222 HydrophobicContact CB-CG 3.88Å; K219-L222 WeakPolarHBondContact O-CB 3.25Å; K219-L222 PolarHBondContact O-N 3.39Å; K219-L222 VanDerWaalsContact O-N 3.15Å; P220-L222 PolarHBondContact O-N 2.97Å; P220-L222 VanDerWaalsContact O-N 3.14Å |
| 223 | F | 97.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -108.5 | 16.8 | -179.1 | -65.2 | -86.3 | 0 | 0 | 0 | 112.4 | F4 P6 V7 L173 Q191 V193 T209 L210 F218 P220 E221 L225 | F4-F223 HydrophobicContact CB-CD1 4.21Å; F4-F223 HydrophobicContact CB-CE1 4.23Å; F4-F223 HydrophobicContact CD1-CD1 4.36Å; F4-F223 AromaticContact CD1-CE1 3.59Å; F4-F223 HydrophobicContact CD1-CE1 3.59Å; F4-F223 HydrophobicContact CD1-CE2 4.25Å; F4-F223 AromaticContact CD1-CZ 3.53Å; F4-F223 HydrophobicContact CD1-CZ 3.53Å; F4-F223 HydrophobicContact CE1-CE1 4.32Å; F4-F223 HydrophobicContact CE1-CE2 4.43Å; F4-F223 AromaticContact CE1-CZ 3.81Å; F4-F223 HydrophobicContact CE1-CZ 3.81Å; F4-F223 HydrophobicContact CG-CE1 4.18Å; F4-F223 HydrophobicContact CG-CZ 4.26Å; P6-F223 CarbonylContact C-O 3.57Å; P6-F223 WeakPolarHBondContact CA-O 3.3Å; V7-F223 HydrophobicContact CB-CB 4.19Å; V7-F223 HydrophobicContact CG2-CB 3.77Å; V7-F223 HydrophobicContact CG2-CD1 3.91Å; V7-F223 HydrophobicContact CG2-CG 4.24Å; V7-F223 PolarHBondContact N-O 3.33Å; L173-F223 HydrophobicContact CD1-CD1 3.75Å; L173-F223 HydrophobicContact CD1-CE1 3.51Å; L173-F223 HydrophobicContact CD1-CE2 4.42Å; L173-F223 HydrophobicContact CD1-CG 4.29Å; L173-F223 HydrophobicContact CD1-CZ 3.87Å; L173-F223 HydrophobicContact CD2-CB 4.34Å; L173-F223 HydrophobicContact CD2-CD1 4.19Å; L173-F223 HydrophobicContact CD2-CD2 3.98Å; L173-F223 HydrophobicContact CD2-CE2 4.34Å; L173-F223 HydrophobicContact CD2-CG 3.9Å; Q191-F223 HydrophobicContact CB-CE1 4.2Å; V193-F223 HydrophobicContact CG2-CE2 4.22Å; V193-F223 HydrophobicContact CG2-CZ 4.2Å; T209-F223 HydrophobicContact CG2-CE1 3.97Å; T209-F223 HydrophobicContact CG2-CZ 4.25Å; L210-F223 HydrophobicContact CB-CZ 4.17Å; L210-F223 HydrophobicContact CD2-CE2 3.99Å; L210-F223 HydrophobicContact CD2-CZ 4.45Å; F218-F223 AromaticContact CE2-CD2 3.65Å; F218-F223 HydrophobicContact CE2-CD2 3.65Å; F218-F223 AromaticContact CE2-CE2 3.64Å; F218-F223 HydrophobicContact CE2-CE2 3.64Å; F218-F223 AromaticContact CZ-CD2 3.79Å; F218-F223 HydrophobicContact CZ-CD2 3.79Å; F218-F223 HydrophobicContact CZ-CE2 4.26Å; P220-F223 PolarHBondContact O-N 3.46Å; E221-F223 PolarHBondContact O-N 2.69Å; F223-L225 HydrophobicContact CB-CD1 4.42Å; F223-L225 HydrophobicContact CB-CG 4.43Å; F223-L225 PolarHBondContact O-N 3.07Å |
| 224 | G | 96.8 | Very high | 91.1 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E221 | E221-G224 PolarHBondContact O-N 2.89Å; E221-G224 VanDerWaalsContact O-N 3.12Å |
| 225 | L | 97.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 156 | 173.7 | -60.9 | 170.5 | 0 | 0 | 0 | 110.2 | V7 V10 L101 V106 L173 F218 P220 E221 F223 S227 | V7-L225 HydrophobicContact CB-CD2 4.26Å; V7-L225 HydrophobicContact CB-CG 4.33Å; V7-L225 HydrophobicContact CG1-CD1 4.41Å; V7-L225 HydrophobicContact CG1-CD2 4.2Å; V10-L225 HydrophobicContact CG2-CD1 4.16Å; L101-L225 HydrophobicContact CD2-CD1 4.04Å; V106-L225 HydrophobicContact CG1-CD2 3.94Å; V106-L225 HydrophobicContact CG2-CD2 4.05Å; L173-L225 HydrophobicContact CD2-CD1 4.38Å; F218-L225 HydrophobicContact CZ-CD1 4.48Å; P220-L225 CarbonylContact C-O 3.47Å; P220-L225 HydrophobicContact CB-CB 3.71Å; P220-L225 WeakPolarHBondContact O-CB 3.19Å; P220-L225 PolarHBondContact O-N 3.21Å; P220-L225 VanDerWaalsContact O-N 3.12Å; E221-L225 WeakPolarHBondContact CA-O 3.32Å; E221-L225 PolarHBondContact N-O 3.26Å; F223-L225 HydrophobicContact CB-CD1 4.42Å; F223-L225 HydrophobicContact CB-CG 4.43Å; F223-L225 PolarHBondContact O-N 3.07Å; L225-S227 PolarHBondContact O-N 3.32Å |
| 226 | P | 97 | Very high | 90.3 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.9 | 178.9 | -26.6 | 37.8 | 0 | 0 | 0 | 112.3 | H100 Y104 P220 | H100-P226 PolarHBondContact NE2-O 3.45Å; Y104-P226 HydrophobicContact CD1-CB 3.7Å; Y104-P226 HydrophobicContact CD1-CG 3.84Å; Y104-P226 HydrophobicContact CD2-CB 4.11Å; Y104-P226 HydrophobicContact CE1-CB 4.01Å; Y104-P226 HydrophobicContact CE2-CB 4.43Å; Y104-P226 HydrophobicContact CG-CB 3.76Å; Y104-P226 HydrophobicContact CG-CG 3.85Å; P220-P226 WeakPolarHBondContact CB-O 3.39Å |
| 227 | S | 97.1 | Very high | 89.8 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 151.1 | 177 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | H100 E221 L225 | H100-S227 PolarHBondContact CE1-O 3.36Å; E221-S227 WeakPolarHBondContact CB-OG 3.34Å; E221-S227 WeakPolarHBondContact OE2-CB 3.4Å; E221-S227 PolarHBondContact OE2-OG 2.93Å; L225-S227 PolarHBondContact O-N 3.32Å |
| 228 | F | 95.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -59 | 139.4 | 168.5 | -66.3 | -65.4 | 0 | 0 | 0 | 110.8 | R96 L97 H100 F218 P220 | R96-F228 HydrophobicContact CG-CE1 4.11Å; L97-F228 HydrophobicContact CD1-CZ 3.95Å; H100-F228 HydrophobicContact CB-CD1 4Å; H100-F228 HydrophobicContact CB-CE1 3.6Å; H100-F228 AromaticContact CD2-CD1 3.85Å; H100-F228 AromaticContact CD2-CE1 3.72Å; H100-F228 AromaticContact CE1-CD1 3.87Å; H100-F228 AromaticContact CG-CD1 3.54Å; H100-F228 AromaticContact CG-CE1 3.51Å; H100-F228 AromaticContact ND1-CD1 3.57Å; F218-F228 WeakPolarHBondContact O-CE2 3.31Å; P220-F228 VanDerWaalsContact CD-CE2 3.45Å; P220-F228 HydrophobicContact CG-CD2 3.87Å; P220-F228 HydrophobicContact CG-CE1 4.49Å; P220-F228 HydrophobicContact CG-CE2 3.58Å; P220-F228 HydrophobicContact CG-CG 4.45Å; P220-F228 HydrophobicContact CG-CZ 3.92Å |
| 229 | T | 84.5 | Confident | 88.6 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -82.2 | -16.7 | -179.4 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | Y104 | Y104-T229 WeakPolarHBondContact OH-CG2 3.25Š|
| 230 | E | 72.6 | Confident | 87.9 | Confident | 136 Ų | 136 | 70.1 Ų | 70.1 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -128.5 | 132.8 | -176.6 | -64.2 | 179.9 | -171.4 | 0 | 0 | 109.8 | ||
| 231 | S | 57.2 | Low | 87.1 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 87% | 0.867 | 44% | 0.438 | S | S | * | . | trans | -78.1 | 114.1 | 165.4 | 51.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | H | 54.6 | Low | 86.2 | Confident | 180 Ų | 180 | 74.8 Ų | 74.8 | 83% | 0.833 | 44% | 0.44 | S | S | * | . | trans | -81.9 | 0 | 170.5 | -66.2 | -75.2 | 0 | 0 | 0 | 111.5 | R96 | R96-H232 WeakPolarHBondContact CD-CD2 3.41Å; R96-H232 WeakPolarHBondContact CD-NE2 3.48Å; R96-H232 PolarHBondContact NH1-CD2 3.18Å; R96-H232 VanDerWaalsContact NH1-CD2 3.32Å |
Retrieved 232 of 232 residues in 76.5 ms
(Link to these results)