| 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 | 43.6 | Very low | 83.5 | Confident | 240 Ų | 240 | 83.5 Ų | 83.5 | 100% | 1.182 | 43% | 0.428 | S | S | * | . | 0 | 89.2 | 0 | -78.8 | -178.8 | -96.2 | 0 | 0 | 108.5 | G3 | M1-G3 PolarHBondContact O-N 3.25Š| |||
| 2 | A | 55 | Low | 84.4 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | trans | -65.4 | 109.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | F153 | A2-F153 HydrophobicContact CB-CE1 4.17Š| ||
| 3 | G | 72.5 | Confident | 85.2 | Confident | 46 Ų | 46 | 90.3 Ų | 90.3 | 47% | 0.474 | 44% | 0.442 | S | S | . | . | trans | -62.8 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 F5 F153 | M1-G3 PolarHBondContact O-N 3.25Å; G3-F5 PolarHBondContact O-N 3.25Å; G3-F153 WeakPolarHBondContact O-CE1 3.46Å; G3-F153 WeakPolarHBondContact O-CZ 3.49Å | ||
| 4 | N | 87.2 | Confident | 86 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | trans | -61.5 | 124.9 | 170.6 | -179.2 | -27.9 | 0 | 0 | 0 | 109.7 | W6 R7 S8 | N4-W6 PolarHBondContact O-N 3.11Å; N4-W6 WeakPolarHBondContact OD1-CB 3.4Å; N4-W6 PolarHBondContact OD1-N 3.17Å; N4-R7 HydrophobicContact CB-CB 4.37Å; N4-R7 HydrophobicContact CB-CG 4.32Å; N4-R7 PolarHBondContact O-N 2.87Å; N4-S8 PolarHBondContact O-N 2.91Å | ||
| 5 | F | 93.4 | Very high | 86.7 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 9% | 0.088 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -49.3 | -45.3 | 179 | 170.3 | -104.8 | 0 | 0 | 0 | 111.9 | G3 R7 S8 H10 Y11 I15 F153 P193 P194 | G3-F5 PolarHBondContact O-N 3.25Å; F5-R7 PolarHBondContact O-N 2.99Å; F5-R7 VanDerWaalsContact O-N 3.11Å; F5-S8 VanDerWaalsContact O-CB 3.3Å; F5-S8 WeakPolarHBondContact O-CB 3.49Å; F5-S8 PolarHBondContact O-N 3.04Å; F5-S8 PolarHBondContact O-OG 3.09Å; F5-H10 HydrophobicContact CE2-CB 4.31Å; F5-H10 AromaticContact CE2-CG 3.91Å; F5-H10 AromaticContact CE2-ND1 3.97Å; F5-Y11 AromaticContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CG 4.12Å; F5-Y11 AromaticContact CZ-CD2 4Å; F5-Y11 HydrophobicContact CZ-CD2 4Å; F5-Y11 HydrophobicContact CZ-CG 4.36Å; F5-Y11 WeakPolarHBondContact O-CB 3.45Å; F5-I15 HydrophobicContact CZ-CD1 4.12Å; F5-I15 HydrophobicContact CZ-CG1 3.87Å; F5-F153 HydrophobicContact CB-CD1 4.21Å; F5-F153 HydrophobicContact CB-CE1 4.39Å; F5-F153 HydrophobicContact CB-CG 4.34Å; F5-F153 HydrophobicContact CD2-CB 3.9Å; F5-F153 AromaticContact CD2-CD2 3.91Å; F5-F153 HydrophobicContact CD2-CD2 3.91Å; F5-F153 AromaticContact CD2-CG 3.86Å; F5-F153 HydrophobicContact CD2-CG 3.86Å; F5-P193 HydrophobicContact CD1-CB 4.43Å; F5-P193 HydrophobicContact CE1-CB 3.62Å; F5-P193 HydrophobicContact CE1-CG 3.97Å; F5-P193 HydrophobicContact CZ-CB 4.01Å; F5-P193 HydrophobicContact CZ-CG 4.38Å; F5-P194 HydrophobicContact CD2-CG 4.3Å; F5-P194 HydrophobicContact CE2-CG 4.14Å |
| 6 | W | 93.9 | Very high | 87.3 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 43% | 0.428 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -67.3 | -13.9 | -178.1 | -51.1 | 113.6 | 0 | 0 | 0 | 114.2 | N4 Y11 P193 Y195 | N4-W6 PolarHBondContact O-N 3.11Å; N4-W6 WeakPolarHBondContact OD1-CB 3.4Å; N4-W6 PolarHBondContact OD1-N 3.17Å; W6-Y11 HydrophobicContact CE3-CD1 4.27Å; W6-Y11 AromaticContact CE3-CD2 3.74Å; W6-Y11 HydrophobicContact CE3-CD2 3.74Å; W6-Y11 HydrophobicContact CE3-CE1 4.18Å; W6-Y11 AromaticContact CE3-CE2 3.67Å; W6-Y11 HydrophobicContact CE3-CE2 3.67Å; W6-Y11 HydrophobicContact CE3-CG 4.05Å; W6-Y11 AromaticContact CE3-CZ 3.89Å; W6-Y11 AromaticContact CZ3-CD2 3.89Å; W6-Y11 HydrophobicContact CZ3-CD2 3.89Å; W6-Y11 AromaticContact CZ3-CE2 3.64Å; W6-Y11 HydrophobicContact CZ3-CE2 3.64Å; W6-Y11 VanDerWaalsContact O-CD1 3.29Å; W6-Y11 WeakPolarHBondContact O-CD1 3.18Å; W6-P193 HydrophobicContact CH2-CB 4.01Å; W6-P193 HydrophobicContact CH2-CG 3.73Å; W6-P193 HydrophobicContact CZ3-CG 4.01Å; W6-Y195 AromaticContact CH2-CE1 3.77Å; W6-Y195 HydrophobicContact CH2-CE1 3.77Å; W6-Y195 HydrophobicContact CZ2-CD1 4.21Å; W6-Y195 AromaticContact CZ2-CE1 3.61Å; W6-Y195 HydrophobicContact CZ2-CE1 3.61Å |
| 7 | R | 93 | Very high | 87.8 | Confident | 188 Ų | 188 | 78 Ų | 78 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -105.8 | -2.9 | 174.2 | -61.3 | -174.3 | 179.9 | -174.6 | -0.3 | 112.7 | N4 F5 | N4-R7 HydrophobicContact CB-CB 4.37Å; N4-R7 HydrophobicContact CB-CG 4.32Å; N4-R7 PolarHBondContact O-N 2.87Å; F5-R7 PolarHBondContact O-N 2.99Å; F5-R7 VanDerWaalsContact O-N 3.11Å |
| 8 | S | 94.2 | Very high | 88.2 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -82.9 | 159.7 | -176 | 75 | 0 | 0 | 0 | 0 | 112.5 | N4 F5 H10 Y11 R12 F153 | N4-S8 PolarHBondContact O-N 2.91Å; F5-S8 VanDerWaalsContact O-CB 3.3Å; F5-S8 WeakPolarHBondContact O-CB 3.49Å; F5-S8 PolarHBondContact O-N 3.04Å; F5-S8 PolarHBondContact O-OG 3.09Å; S8-H10 PolarHBondContact O-N 3.27Å; S8-H10 WeakPolarHBondContact OG-CB 3.33Å; S8-H10 PolarHBondContact OG-N 3.44Å; S8-Y11 PolarHBondContact O-N 2.73Å; S8-Y11 PolarHBondContact OG-N 3.11Å; S8-R12 WeakPolarHBondContact O-CG 3.38Å; S8-R12 PolarHBondContact O-N 2.99Å; S8-F153 VanDerWaalsContact CB-CE2 3.41Å; S8-F153 WeakPolarHBondContact OG-CE2 3.34Å |
| 9 | S | 93.5 | Very high | 88.6 | Confident | 33 Ų | 33 | 81 Ų | 81 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -30.1 | 169.9 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | Y11 R12 Q13 C149 | S9-Y11 PolarHBondContact O-N 3Å; S9-R12 PolarHBondContact O-N 3.01Å; S9-Q13 WeakPolarHBondContact O-CB 3.49Å; S9-Q13 PolarHBondContact O-N 2.98Å; S9-C149 WeakPolarHBondContact CB-SG 3.21Å |
| 10 | H | 95.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.2 | -52.9 | 173.9 | -171.9 | 173.3 | 0 | 0 | 0 | 110.8 | F5 S8 W14 I15 R71 F153 | F5-H10 HydrophobicContact CE2-CB 4.31Å; F5-H10 AromaticContact CE2-CG 3.91Å; F5-H10 AromaticContact CE2-ND1 3.97Å; S8-H10 PolarHBondContact O-N 3.27Å; S8-H10 WeakPolarHBondContact OG-CB 3.33Å; S8-H10 PolarHBondContact OG-N 3.44Å; H10-W14 CarbonylContact O-C 3.59Å; H10-W14 WeakPolarHBondContact O-CA 3.26Å; H10-W14 WeakPolarHBondContact O-CB 3.5Å; H10-W14 PolarHBondContact O-N 3.06Å; H10-I15 PolarHBondContact O-N 2.99Å; H10-R71 PolarHBondContact CD2-NH2 3.47Å; H10-R71 VanDerWaalsContact CG-NH2 3.26Å; H10-R71 PolarHBondContact NE2-NH2 3.4Å; H10-F153 HydrophobicContact CB-CD2 4.04Å; H10-F153 PolarHBondContact CE1-N 3.23Å; H10-F153 PolarHBondContact CE1-O 3.25Å; H10-F153 AromaticContact ND1-CD2 3.8Å; H10-F153 PolarHBondContact ND1-N 3.13Å |
| 11 | Y | 96 | Very high | 89.2 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 38% | 0.376 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.9 | 173.1 | -115.7 | 0 | 0 | 0 | 112.4 | F5 W6 S8 S9 Q13 I15 | F5-Y11 AromaticContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CG 4.12Å; F5-Y11 AromaticContact CZ-CD2 4Å; F5-Y11 HydrophobicContact CZ-CD2 4Å; F5-Y11 HydrophobicContact CZ-CG 4.36Å; F5-Y11 WeakPolarHBondContact O-CB 3.45Å; W6-Y11 HydrophobicContact CE3-CD1 4.27Å; W6-Y11 AromaticContact CE3-CD2 3.74Å; W6-Y11 HydrophobicContact CE3-CD2 3.74Å; W6-Y11 HydrophobicContact CE3-CE1 4.18Å; W6-Y11 AromaticContact CE3-CE2 3.67Å; W6-Y11 HydrophobicContact CE3-CE2 3.67Å; W6-Y11 HydrophobicContact CE3-CG 4.05Å; W6-Y11 AromaticContact CE3-CZ 3.89Å; W6-Y11 AromaticContact CZ3-CD2 3.89Å; W6-Y11 HydrophobicContact CZ3-CD2 3.89Å; W6-Y11 AromaticContact CZ3-CE2 3.64Å; W6-Y11 HydrophobicContact CZ3-CE2 3.64Å; W6-Y11 VanDerWaalsContact O-CD1 3.29Å; W6-Y11 WeakPolarHBondContact O-CD1 3.18Å; S8-Y11 PolarHBondContact O-N 2.73Å; S8-Y11 PolarHBondContact OG-N 3.11Å; S9-Y11 PolarHBondContact O-N 3Å; Y11-Q13 PolarHBondContact O-N 2.94Å; Y11-I15 HydrophobicContact CD2-CG1 4.27Å |
| 12 | R | 94.7 | Very high | 91.7 | Very high | 176 Ų | 176 | 69.3 Ų | 69.3 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.2 | -25.5 | -170.3 | -69 | 176.8 | 178.9 | -175.3 | -1.4 | 114.8 | S8 S9 | S8-R12 WeakPolarHBondContact O-CG 3.38Å; S8-R12 PolarHBondContact O-N 2.99Å; S9-R12 PolarHBondContact O-N 3.01Å |
| 13 | Q | 94.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -127.1 | -21.7 | -171.8 | -63.6 | -179.4 | -0.2 | 0 | 0 | 114 | S9 Y11 L16 C149 | S9-Q13 WeakPolarHBondContact O-CB 3.49Å; S9-Q13 PolarHBondContact O-N 2.98Å; Y11-Q13 PolarHBondContact O-N 2.94Å; Q13-L16 VanDerWaalsContact O-CD2 3.27Å; Q13-L16 WeakPolarHBondContact O-CD2 3.24Å; Q13-C149 PolarHBondContact OE1-SG 3.08Å |
| 14 | W | 96 | Very high | 94.7 | Very high | 7 Ų | 7 | 72.1 Ų | 72.1 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -121.7 | 3.9 | -168.7 | -61.5 | 100.1 | 0 | 0 | 0 | 114 | H10 R71 V74 R75 M146 L190 | H10-W14 CarbonylContact O-C 3.59Å; H10-W14 WeakPolarHBondContact O-CA 3.26Å; H10-W14 WeakPolarHBondContact O-CB 3.5Å; H10-W14 PolarHBondContact O-N 3.06Å; W14-R71 HydrophobicContact CD2-CB 4.36Å; W14-R71 HydrophobicContact CD2-CG 3.8Å; W14-R71 HydrophobicContact CE3-CB 3.71Å; W14-R71 HydrophobicContact CE3-CG 3.38Å; W14-R71 HydrophobicContact CG-CG 4.4Å; W14-R71 HydrophobicContact CH2-CB 3.98Å; W14-R71 HydrophobicContact CH2-CG 4.47Å; W14-R71 HydrophobicContact CZ3-CB 3.48Å; W14-R71 VanDerWaalsContact CZ3-CB 3.48Å; W14-R71 HydrophobicContact CZ3-CG 3.75Å; W14-R71 WeakPolarHBondContact CZ3-O 3.23Å; W14-V74 HydrophobicContact CZ3-CG1 4.09Å; W14-R75 HydrophobicContact CZ3-CG 4.44Å; W14-M146 HydrophobicContact CH2-CG 4.34Å; W14-M146 HydrophobicContact CZ2-CB 4.17Å; W14-M146 HydrophobicContact CZ2-CG 4.26Å; W14-L190 WeakPolarHBondContact O-CA 3.3Å |
| 15 | I | 97 | Very high | 95.1 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -95.6 | 106.1 | 157.6 | -58.1 | -57.6 | 0 | 0 | 0 | 106.5 | F5 H10 Y11 L190 | F5-I15 HydrophobicContact CZ-CD1 4.12Å; F5-I15 HydrophobicContact CZ-CG1 3.87Å; H10-I15 PolarHBondContact O-N 2.99Å; Y11-I15 HydrophobicContact CD2-CG1 4.27Å; I15-L190 CarbonylContact C-O 3.49Å; I15-L190 WeakPolarHBondContact CA-O 3.19Å |
| 16 | L | 96.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -107.1 | 157.8 | -168.6 | -56.7 | 178 | 0 | 0 | 0 | 110.7 | Q13 I21 V74 L190 | Q13-L16 VanDerWaalsContact O-CD2 3.27Å; Q13-L16 WeakPolarHBondContact O-CD2 3.24Å; L16-I21 HydrophobicContact CB-CD1 4.14Å; L16-I21 HydrophobicContact CB-CG1 3.97Å; L16-I21 HydrophobicContact CD1-CD1 4.35Å; L16-I21 HydrophobicContact CD1-CG1 4.08Å; L16-V74 HydrophobicContact CD1-CB 4.35Å; L16-V74 HydrophobicContact CD1-CG1 3.7Å; L16-V74 HydrophobicContact CD1-CG2 3.71Å; L16-L190 PolarHBondContact N-O 3.46Å | ||
| 17 | D | 95.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -77.5 | 142 | 169.7 | -177.2 | -96.1 | 0 | 0 | 0 | 110.7 | Q19 E20 I21 | D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 3.14Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.37Å; D17-Q19 VanDerWaalsContact OD1-CB 3.23Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.19Å; D17-Q19 PolarHBondContact OD1-N 3.03Å; D17-Q19 PolarHBondContact OD1-OE1 2.81Å; D17-E20 HydrophobicContact CB-CB 4.2Å; D17-E20 WeakPolarHBondContact O-CB 3.42Å; D17-E20 PolarHBondContact O-N 3.43Å; D17-E20 VanDerWaalsContact O-N 3.16Å; D17-I21 PolarHBondContact O-N 3.22Å; D17-I21 VanDerWaalsContact O-N 3.09Å | ||
| 18 | R | 94.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 62 Ų | 62 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | -177.9 | 179.2 | -173.6 | -68.6 | -93.1 | -7.6 | 111.5 | E20 I21 L22 L191 | R18-E20 VanDerWaalsContact C-N 3.33Å; R18-I21 PolarHBondContact O-N 3.06Å; R18-L22 HydrophobicContact CG-CD1 4.48Å; R18-L22 WeakPolarHBondContact O-CG 3.47Å; R18-L22 PolarHBondContact O-N 3.13Å; R18-L22 VanDerWaalsContact O-N 3.13Å; R18-L191 HydrophobicContact CB-CD2 4.2Å |
| 19 | Q | 95.4 | Very high | 95.5 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.7 | -36.9 | -179.3 | -69.9 | 78.8 | -29.5 | 0 | 0 | 110.3 | D17 L22 V23 | D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 3.14Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.37Å; D17-Q19 VanDerWaalsContact OD1-CB 3.23Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.19Å; D17-Q19 PolarHBondContact OD1-N 3.03Å; D17-Q19 PolarHBondContact OD1-OE1 2.81Å; Q19-L22 PolarHBondContact O-N 2.99Å; Q19-V23 VanDerWaalsContact O-CG2 3.31Å; Q19-V23 WeakPolarHBondContact O-CG2 3.31Å; Q19-V23 PolarHBondContact O-N 2.9Å |
| 20 | E | 94 | Very high | 95.6 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.2 | -170.4 | -178.2 | -176.6 | 0 | 0 | 111.4 | D17 R18 L22 V23 E24 R75 | D17-E20 HydrophobicContact CB-CB 4.2Å; D17-E20 WeakPolarHBondContact O-CB 3.42Å; D17-E20 PolarHBondContact O-N 3.43Å; D17-E20 VanDerWaalsContact O-N 3.16Å; R18-E20 VanDerWaalsContact C-N 3.33Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.48Å; E20-V23 PolarHBondContact O-N 3Å; E20-E24 WeakPolarHBondContact O-CG 3.35Å; E20-E24 PolarHBondContact O-N 3.48Å; E20-R75 IonicContact OE1-CZ 2.99Å; E20-R75 IonicContact OE1-NH1 2.76Å; E20-R75 PolarHBondContact OE1-NH1 3.26Å; E20-R75 IonicContact OE1-NH2 3.81Å; E20-R75 PolarHBondContact OE1-NH2 3.4Å |
| 21 | I | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.5 | -44.3 | 175.8 | -65.1 | -171.1 | 0 | 0 | 0 | 111.6 | L16 D17 R18 R25 V74 L190 L191 | L16-I21 HydrophobicContact CB-CD1 4.14Å; L16-I21 HydrophobicContact CB-CG1 3.97Å; L16-I21 HydrophobicContact CD1-CD1 4.35Å; L16-I21 HydrophobicContact CD1-CG1 4.08Å; D17-I21 PolarHBondContact O-N 3.22Å; D17-I21 VanDerWaalsContact O-N 3.09Å; R18-I21 PolarHBondContact O-N 3.06Å; I21-R25 WeakPolarHBondContact O-CB 3.42Å; I21-R25 WeakPolarHBondContact O-CG 3.36Å; I21-R25 PolarHBondContact O-N 3.24Å; I21-V74 HydrophobicContact CB-CG2 4.13Å; I21-V74 HydrophobicContact CD1-CG2 4.13Å; I21-V74 HydrophobicContact CG1-CG2 3.66Å; I21-V74 HydrophobicContact CG2-CG2 3.95Å; I21-L190 HydrophobicContact CD1-CB 4.06Å; I21-L190 HydrophobicContact CD1-CD1 4.33Å; I21-L191 HydrophobicContact CD1-CD2 3.65Å; I21-L191 HydrophobicContact CD1-CG 4.12Å |
| 22 | L | 95.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 70.7 Ų | 70.7 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | -179.9 | -69.4 | 173.6 | 0 | 0 | 0 | 112.3 | R18 Q19 E20 S26 L29 | R18-L22 HydrophobicContact CG-CD1 4.48Å; R18-L22 WeakPolarHBondContact O-CG 3.47Å; R18-L22 PolarHBondContact O-N 3.13Å; R18-L22 VanDerWaalsContact O-N 3.13Å; Q19-L22 PolarHBondContact O-N 2.99Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.48Å; L22-S26 WeakPolarHBondContact O-CA 3.38Å; L22-S26 PolarHBondContact O-N 3.32Å; L22-L29 HydrophobicContact CD2-CD1 3.98Å |
| 23 | V | 95.7 | Very high | 95.7 | Very high | 102 Ų | 102 | 63.7 Ų | 63.7 | 62% | 0.618 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.4 | -49.3 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | Q19 E20 R25 S26 | Q19-V23 VanDerWaalsContact O-CG2 3.31Å; Q19-V23 WeakPolarHBondContact O-CG2 3.31Å; Q19-V23 PolarHBondContact O-N 2.9Å; E20-V23 PolarHBondContact O-N 3Å; V23-R25 VanDerWaalsContact C-N 3.28Å; V23-R25 PolarHBondContact O-N 3.41Å; V23-S26 WeakPolarHBondContact O-CB 3.18Å; V23-S26 PolarHBondContact O-N 3.37Å; V23-S26 VanDerWaalsContact O-N 3.14Å; V23-S26 PolarHBondContact O-OG 2.93Å |
| 24 | E | 94.8 | Very high | 95.6 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | -179.7 | -68.2 | -76.2 | -165.5 | 0 | 0 | 112 | E20 S26 V74 R75 | E20-E24 WeakPolarHBondContact O-CG 3.35Å; E20-E24 PolarHBondContact O-N 3.48Å; E24-S26 VanDerWaalsContact C-N 3.34Å; E24-V74 WeakPolarHBondContact CB-O 3.34Å; E24-R75 IonicContact OE1-CZ 3.18Å; E24-R75 IonicContact OE1-NH1 2.74Å; E24-R75 PolarHBondContact OE1-NH1 2.69Å |
| 25 | R | 95.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -1.9 | 178.8 | -66.1 | 177.3 | 174 | 170.6 | 2.2 | 114.2 | I21 V23 Q27 D28 L29 Y37 D187 | I21-R25 WeakPolarHBondContact O-CB 3.42Å; I21-R25 WeakPolarHBondContact O-CG 3.36Å; I21-R25 PolarHBondContact O-N 3.24Å; V23-R25 VanDerWaalsContact C-N 3.28Å; V23-R25 PolarHBondContact O-N 3.41Å; R25-Q27 PolarHBondContact O-N 2.86Å; R25-D28 PolarHBondContact O-N 3.15Å; R25-L29 HydrophobicContact CB-CD1 3.8Å; R25-L29 HydrophobicContact CB-CG 3.93Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.15Å; R25-Y37 WeakPolarHBondContact CD-OH 3.45Å; R25-Y37 HydrophobicContact CG-CE1 4.47Å; R25-Y37 PolarHBondContact NE-OH 2.96Å; R25-D187 IonicContact CZ-OD1 3.77Å; R25-D187 IonicContact CZ-OD2 2.75Å; R25-D187 VanDerWaalsContact NH1-CG 3.31Å; R25-D187 IonicContact NH1-OD1 2.77Å; R25-D187 PolarHBondContact NH1-OD1 2.96Å; R25-D187 IonicContact NH1-OD2 3.82Å; R25-D187 PolarHBondContact NH1-OD2 2.67Å; R25-D187 IonicContact NH2-OD1 2.72Å; R25-D187 PolarHBondContact NH2-OD1 3.32Å; R25-D187 IonicContact NH2-OD2 2.66Å |
| 26 | S | 95.7 | Very high | 95.5 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53 | -36.4 | -170.1 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | L22 V23 E24 K30 | L22-S26 WeakPolarHBondContact O-CA 3.38Å; L22-S26 PolarHBondContact O-N 3.32Å; V23-S26 WeakPolarHBondContact O-CB 3.18Å; V23-S26 PolarHBondContact O-N 3.37Å; V23-S26 VanDerWaalsContact O-N 3.14Å; V23-S26 PolarHBondContact O-OG 2.93Å; E24-S26 VanDerWaalsContact C-N 3.34Å; S26-K30 WeakPolarHBondContact O-CB 3.34Å; S26-K30 PolarHBondContact O-N 3.03Å |
| 27 | Q | 94.9 | Very high | 95.5 | Very high | 118 Ų | 118 | 68.1 Ų | 68.1 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66 | -46 | 178.2 | -65.8 | -176 | 15.6 | 0 | 0 | 112.4 | R25 K30 I31 K79 | R25-Q27 PolarHBondContact O-N 2.86Å; Q27-K30 PolarHBondContact O-N 2.87Å; Q27-I31 WeakPolarHBondContact O-CG1 3.12Å; Q27-K79 VanDerWaalsContact OE1-NZ 3.11Å |
| 28 | D | 96.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74 | -38.6 | -179.1 | -68.5 | -8.9 | 0 | 0 | 0 | 110.7 | R25 K30 I31 L32 Y37 S77 L78 | R25-D28 PolarHBondContact O-N 3.15Å; D28-K30 VanDerWaalsContact C-N 3.27Å; D28-K30 PolarHBondContact O-N 3.43Å; D28-I31 PolarHBondContact O-N 3.05Å; D28-L32 PolarHBondContact O-N 3Å; D28-Y37 HydrophobicContact CB-CD2 3.84Å; D28-Y37 HydrophobicContact CB-CE2 3.68Å; D28-S77 WeakPolarHBondContact OD1-CB 3.47Å; D28-S77 PolarHBondContact OD1-OG 3.48Å; D28-S77 WeakPolarHBondContact OD2-CA 3.48Å; D28-S77 PolarHBondContact OD2-OG 2.96Å; D28-L78 WeakPolarHBondContact OD2-CG 3.35Å; D28-L78 PolarHBondContact OD2-N 3.27Å |
| 29 | L | 96.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 174.8 | -67.9 | 175.5 | 0 | 0 | 0 | 112.1 | L22 R25 I31 G33 E34 Y37 | L22-L29 HydrophobicContact CD2-CD1 3.98Å; R25-L29 HydrophobicContact CB-CD1 3.8Å; R25-L29 HydrophobicContact CB-CG 3.93Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.15Å; L29-I31 PolarHBondContact O-N 2.83Å; L29-G33 WeakPolarHBondContact O-CA 3.2Å; L29-G33 PolarHBondContact O-N 3.11Å; L29-E34 HydrophobicContact CD2-CB 4.34Å; L29-Y37 HydrophobicContact CD2-CD1 4.29Å; L29-Y37 HydrophobicContact CD2-CD2 4.44Å; L29-Y37 HydrophobicContact CD2-CG 3.95Å |
| 30 | K | 96 | Very high | 95.8 | Very high | 191 Ų | 191 | 56.2 Ų | 56.2 | 83% | 0.83 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.3 | -27.5 | 173.8 | -174.3 | 176 | 179.2 | 179.6 | 0 | 112.8 | S26 Q27 D28 | S26-K30 WeakPolarHBondContact O-CB 3.34Å; S26-K30 PolarHBondContact O-N 3.03Å; Q27-K30 PolarHBondContact O-N 2.87Å; D28-K30 VanDerWaalsContact C-N 3.27Å; D28-K30 PolarHBondContact O-N 3.43Å |
| 31 | I | 95.8 | Very high | 95.9 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -89.4 | -45.1 | -176.7 | -64.6 | 168.4 | 0 | 0 | 0 | 111 | Q27 D28 L29 K256 P258 | Q27-I31 WeakPolarHBondContact O-CG1 3.12Å; D28-I31 PolarHBondContact O-N 3.05Å; L29-I31 PolarHBondContact O-N 2.83Å; I31-K256 WeakPolarHBondContact CG2-O 3.38Å; I31-P258 HydrophobicContact CD1-CG 3.69Å; I31-P258 HydrophobicContact CG2-CG 4.3Å |
| 32 | L | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -95.6 | -36.8 | -175.3 | -66.9 | 172.4 | 0 | 0 | 0 | 112.4 | D28 D36 Y37 V40 L78 K256 | D28-L32 PolarHBondContact O-N 3Å; L32-D36 HydrophobicContact CB-CB 4.06Å; L32-D36 VanDerWaalsContact O-CB 3.29Å; L32-D36 WeakPolarHBondContact O-CB 3.42Å; L32-Y37 HydrophobicContact CD1-CD2 4.2Å; L32-V40 HydrophobicContact CD1-CG2 4.45Å; L32-L78 HydrophobicContact CD1-CD1 3.69Å; L32-K256 HydrophobicContact CD2-CB 3.78Å |
| 33 | G | 95.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | trans | 85.6 | 164.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L29 Y37 | L29-G33 WeakPolarHBondContact O-CA 3.2Å; L29-G33 PolarHBondContact O-N 3.11Å; G33-Y37 WeakPolarHBondContact O-CB 3.36Å; G33-Y37 PolarHBondContact O-N 3.31Å | ||
| 34 | E | 94.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -48.5 | -176 | -171.3 | 172.4 | 174.1 | 0 | 0 | 112.3 | L29 Y37 Q38 | L29-E34 HydrophobicContact CD2-CB 4.34Å; E34-Y37 PolarHBondContact O-N 3.48Å; E34-Q38 WeakPolarHBondContact O-CG 3.18Å; E34-Q38 PolarHBondContact O-N 3.12Å |
| 35 | D | 94.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 51% | 0.508 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -48.9 | -179.1 | -71.4 | 2.7 | 0 | 0 | 0 | 112.2 | Y37 Q38 K39 M240 | D35-Y37 VanDerWaalsContact C-N 3.33Å; D35-Y37 PolarHBondContact O-N 3.44Å; D35-Q38 PolarHBondContact O-N 2.88Å; D35-K39 VanDerWaalsContact O-CG 3.32Å; D35-K39 WeakPolarHBondContact O-CG 3.46Å; D35-K39 PolarHBondContact O-N 3.06Å; D35-M240 HydrophobicContact CB-CE 3.99Å; D35-M240 WeakPolarHBondContact OD1-CE 3.5Å |
| 36 | D | 96.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | -179.9 | -80.5 | 1 | 0 | 0 | 0 | 111.3 | L32 K39 V40 L253 K256 | L32-D36 HydrophobicContact CB-CB 4.06Å; L32-D36 VanDerWaalsContact O-CB 3.29Å; L32-D36 WeakPolarHBondContact O-CB 3.42Å; D36-K39 PolarHBondContact O-N 3.25Å; D36-K39 IonicContact OD1-NZ 2.63Å; D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 2.76Å; D36-L253 HydrophobicContact CB-CD2 3.64Å; D36-L253 WeakPolarHBondContact OD2-CD2 3.47Å; D36-K256 IonicContact OD2-NZ 3.58Å |
| 37 | Y | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 173 | -176.4 | -85.8 | 0 | 0 | 0 | 111.6 | R25 D28 L29 L32 G33 E34 D35 V40 L41 Y73 L78 | R25-Y37 WeakPolarHBondContact CD-OH 3.45Å; R25-Y37 HydrophobicContact CG-CE1 4.47Å; R25-Y37 PolarHBondContact NE-OH 2.96Å; D28-Y37 HydrophobicContact CB-CD2 3.84Å; D28-Y37 HydrophobicContact CB-CE2 3.68Å; L29-Y37 HydrophobicContact CD2-CD1 4.29Å; L29-Y37 HydrophobicContact CD2-CD2 4.44Å; L29-Y37 HydrophobicContact CD2-CG 3.95Å; L32-Y37 HydrophobicContact CD1-CD2 4.2Å; G33-Y37 WeakPolarHBondContact O-CB 3.36Å; G33-Y37 PolarHBondContact O-N 3.31Å; E34-Y37 PolarHBondContact O-N 3.48Å; D35-Y37 VanDerWaalsContact C-N 3.33Å; D35-Y37 PolarHBondContact O-N 3.44Å; Y37-V40 WeakPolarHBondContact O-CB 3.43Å; Y37-V40 PolarHBondContact O-N 3.15Å; Y37-L41 HydrophobicContact CD1-CD1 4.09Å; Y37-L41 HydrophobicContact CD1-CG 4.35Å; Y37-L41 HydrophobicContact CE1-CD1 3.44Å; Y37-L41 VanDerWaalsContact CE1-CD1 3.44Å; Y37-L41 HydrophobicContact CE1-CG 3.96Å; Y37-L41 PolarHBondContact O-N 3.35Å; Y37-L41 VanDerWaalsContact O-N 3.12Å; Y37-Y73 PolarHBondContact OH-O 3.07Å; Y37-L78 HydrophobicContact CD2-CD1 3.87Å; Y37-L78 HydrophobicContact CE2-CD1 3.72Å; Y37-L78 HydrophobicContact CE2-CG 4.02Å |
| 38 | Q | 96.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.6 | -68.4 | -63.1 | -23.4 | 0 | 0 | 111.6 | E34 D35 V40 L41 I42 D187 M240 | E34-Q38 WeakPolarHBondContact O-CG 3.18Å; E34-Q38 PolarHBondContact O-N 3.12Å; D35-Q38 PolarHBondContact O-N 2.88Å; Q38-V40 VanDerWaalsContact C-N 3.29Å; Q38-V40 PolarHBondContact O-N 3.37Å; Q38-L41 PolarHBondContact O-N 2.6Å; Q38-L41 VanDerWaalsContact O-N 3.11Å; Q38-I42 VanDerWaalsContact O-CG1 3.26Å; Q38-I42 WeakPolarHBondContact O-CG1 3.31Å; Q38-I42 PolarHBondContact O-N 3.17Å; Q38-D187 PolarHBondContact NE2-OD2 3.06Å; Q38-M240 HydrophobicContact CB-CE 4.13Å; Q38-M240 HydrophobicContact CB-SD 3.83Å |
| 39 | K | 97.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 10% | 0.1 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -42.5 | 173.7 | -75.1 | 173.6 | -175.8 | 176 | 0 | 112.3 | D35 D36 I42 F43 M240 F244 E249 L253 | D35-K39 VanDerWaalsContact O-CG 3.32Å; D35-K39 WeakPolarHBondContact O-CG 3.46Å; D35-K39 PolarHBondContact O-N 3.06Å; D36-K39 PolarHBondContact O-N 3.25Å; D36-K39 IonicContact OD1-NZ 2.63Å; K39-I42 PolarHBondContact O-N 2.74Å; K39-F43 WeakPolarHBondContact O-CB 3.23Å; K39-F43 PolarHBondContact O-N 2.97Å; K39-M240 HydrophobicContact CG-CG 4.4Å; K39-M240 HydrophobicContact CG-SD 4.11Å; K39-F244 HydrophobicContact CB-CD1 4.38Å; K39-F244 HydrophobicContact CB-CD2 4.28Å; K39-F244 HydrophobicContact CB-CE1 3.97Å; K39-F244 HydrophobicContact CB-CE2 3.88Å; K39-F244 HydrophobicContact CB-CZ 3.71Å; K39-F244 HydrophobicContact CD-CD2 3.66Å; K39-F244 HydrophobicContact CD-CE2 3.88Å; K39-F244 HydrophobicContact CD-CG 4.17Å; K39-F244 HydrophobicContact CG-CD1 4.09Å; K39-F244 HydrophobicContact CG-CD2 3.82Å; K39-F244 HydrophobicContact CG-CE1 4.19Å; K39-F244 HydrophobicContact CG-CE2 3.95Å; K39-F244 HydrophobicContact CG-CG 3.9Å; K39-F244 HydrophobicContact CG-CZ 4.13Å; K39-E249 IonicContact NZ-OE2 3.22Å; K39-E249 PolarHBondContact NZ-OE2 3.02Å; K39-L253 HydrophobicContact CB-CD1 3.92Å; K39-L253 HydrophobicContact CD-CD1 4.23Å |
| 40 | V | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 174.5 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | L32 D36 Y37 Q38 I42 F43 F44 L78 M250 L253 M257 | L32-V40 HydrophobicContact CD1-CG2 4.45Å; D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 2.76Å; Y37-V40 WeakPolarHBondContact O-CB 3.43Å; Y37-V40 PolarHBondContact O-N 3.15Å; Q38-V40 VanDerWaalsContact C-N 3.29Å; Q38-V40 PolarHBondContact O-N 3.37Å; V40-I42 PolarHBondContact O-N 2.75Å; V40-F43 PolarHBondContact O-N 3.06Å; V40-F44 HydrophobicContact CG1-CD2 3.84Å; V40-F44 HydrophobicContact CG1-CE2 3.86Å; V40-F44 WeakPolarHBondContact O-CD2 3.48Å; V40-F44 PolarHBondContact O-N 2.72Å; V40-F44 VanDerWaalsContact O-N 3.08Å; V40-L78 HydrophobicContact CG1-CD1 4.26Å; V40-L78 HydrophobicContact CG1-CD2 4.41Å; V40-M250 HydrophobicContact CG2-CE 4.49Å; V40-L253 HydrophobicContact CG2-CB 4.19Å; V40-L253 HydrophobicContact CG2-CD1 4.42Å; V40-M257 HydrophobicContact CG1-SD 4.07Å |
| 41 | L | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.7 | -66.4 | -171.4 | 0 | 0 | 0 | 113.1 | Y37 Q38 S45 Y73 | Y37-L41 HydrophobicContact CD1-CD1 4.09Å; Y37-L41 HydrophobicContact CD1-CG 4.35Å; Y37-L41 HydrophobicContact CE1-CD1 3.44Å; Y37-L41 VanDerWaalsContact CE1-CD1 3.44Å; Y37-L41 HydrophobicContact CE1-CG 3.96Å; Y37-L41 PolarHBondContact O-N 3.35Å; Y37-L41 VanDerWaalsContact O-N 3.12Å; Q38-L41 PolarHBondContact O-N 2.6Å; Q38-L41 VanDerWaalsContact O-N 3.11Å; L41-S45 WeakPolarHBondContact O-CB 3.3Å; L41-S45 PolarHBondContact O-N 3.41Å; L41-S45 PolarHBondContact O-OG 3.31Å; L41-Y73 HydrophobicContact CD2-CD2 4.03Å |
| 42 | I | 97.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 174.3 | -70.2 | 172.1 | 0 | 0 | 0 | 109.9 | Q38 K39 V40 F44 S45 N46 H185 W241 F244 | Q38-I42 VanDerWaalsContact O-CG1 3.26Å; Q38-I42 WeakPolarHBondContact O-CG1 3.31Å; Q38-I42 PolarHBondContact O-N 3.17Å; K39-I42 PolarHBondContact O-N 2.74Å; V40-I42 PolarHBondContact O-N 2.75Å; I42-F44 VanDerWaalsContact C-N 3.35Å; I42-F44 PolarHBondContact O-N 2.66Å; I42-S45 WeakPolarHBondContact O-CB 3.39Å; I42-S45 PolarHBondContact O-N 2.72Å; I42-S45 VanDerWaalsContact O-N 3.14Å; I42-N46 PolarHBondContact O-N 3.42Å; I42-H185 HydrophobicContact CG1-CB 4.15Å; I42-H185 WeakPolarHBondContact CG1-O 3.44Å; I42-W241 HydrophobicContact CG2-CD2 4.47Å; I42-W241 HydrophobicContact CG2-CZ2 4.48Å; I42-F244 HydrophobicContact CG2-CD1 4.43Å; I42-F244 HydrophobicContact CG2-CE1 4.3Å |
| 43 | F | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.1 | -47 | 179.1 | 172.5 | -93.4 | 0 | 0 | 0 | 112.1 | K39 V40 S45 N46 L47 Y120 V123 Y124 E246 M250 | K39-F43 WeakPolarHBondContact O-CB 3.23Å; K39-F43 PolarHBondContact O-N 2.97Å; V40-F43 PolarHBondContact O-N 3.06Å; F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 3.39Å; F43-N46 WeakPolarHBondContact O-CB 3.29Å; F43-N46 PolarHBondContact O-N 3.48Å; F43-L47 PolarHBondContact O-N 2.92Å; F43-Y120 HydrophobicContact CD2-CD1 4.5Å; F43-Y120 HydrophobicContact CD2-CE1 4.2Å; F43-Y120 AromaticContact CE2-CD1 3.46Å; F43-Y120 HydrophobicContact CE2-CD1 3.46Å; F43-Y120 VanDerWaalsContact CE2-CD1 3.46Å; F43-Y120 AromaticContact CE2-CE1 3.55Å; F43-Y120 HydrophobicContact CE2-CE1 3.55Å; F43-Y120 HydrophobicContact CE2-CG 4.35Å; F43-Y120 AromaticContact CZ-CD1 3.83Å; F43-Y120 HydrophobicContact CZ-CD1 3.83Å; F43-Y120 HydrophobicContact CZ-CE1 4.15Å; F43-Y120 HydrophobicContact CZ-CG 4.3Å; F43-V123 HydrophobicContact CE2-CB 4.44Å; F43-V123 HydrophobicContact CE2-CG1 4.19Å; F43-V123 HydrophobicContact CE2-CG2 4.1Å; F43-V123 HydrophobicContact CZ-CB 4.29Å; F43-V123 HydrophobicContact CZ-CG1 3.83Å; F43-V123 HydrophobicContact CZ-CG2 4.45Å; F43-Y124 AromaticContact CE1-CE2 3.83Å; F43-Y124 HydrophobicContact CE1-CE2 3.83Å; F43-Y124 HydrophobicContact CZ-CD2 4.43Å; F43-Y124 AromaticContact CZ-CE2 3.82Å; F43-Y124 HydrophobicContact CZ-CE2 3.82Å; F43-E246 HydrophobicContact CD2-CB 4.39Å; F43-E246 HydrophobicContact CD2-CG 4.28Å; F43-M250 HydrophobicContact CB-CE 3.75Å; F43-M250 HydrophobicContact CB-CG 4.19Å; F43-M250 HydrophobicContact CB-SD 3.56Å; F43-M250 VanDerWaalsContact CB-SD 3.56Å; F43-M250 HydrophobicContact CD1-CE 3.41Å; F43-M250 VanDerWaalsContact CD1-CE 3.41Å; F43-M250 HydrophobicContact CD1-SD 4.29Å; F43-M250 HydrophobicContact CD2-CB 4.48Å; F43-M250 HydrophobicContact CD2-CE 4.1Å; F43-M250 HydrophobicContact CD2-CG 3.55Å; F43-M250 HydrophobicContact CD2-SD 4.05Å; F43-M250 HydrophobicContact CE1-CE 4.01Å; F43-M250 HydrophobicContact CE2-CG 4.03Å; F43-M250 HydrophobicContact CG-CE 3.46Å; F43-M250 VanDerWaalsContact CG-CE 3.46Å; F43-M250 HydrophobicContact CG-CG 3.85Å; F43-M250 HydrophobicContact CG-SD 3.7Å |
| 44 | F | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.3 | -27.4 | 179.3 | -73.5 | -70.5 | 0 | 0 | 0 | 112.8 | V40 I42 L47 I48 M69 P83 L84 Y124 L254 M257 | V40-F44 HydrophobicContact CG1-CD2 3.84Å; V40-F44 HydrophobicContact CG1-CE2 3.86Å; V40-F44 WeakPolarHBondContact O-CD2 3.48Å; V40-F44 PolarHBondContact O-N 2.72Å; V40-F44 VanDerWaalsContact O-N 3.08Å; I42-F44 VanDerWaalsContact C-N 3.35Å; I42-F44 PolarHBondContact O-N 2.66Å; F44-L47 HydrophobicContact CD1-CD2 3.9Å; F44-L47 HydrophobicContact CE1-CD2 4.23Å; F44-L47 WeakPolarHBondContact O-CB 3.32Å; F44-L47 PolarHBondContact O-N 3.3Å; F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.42Å; F44-I48 PolarHBondContact O-N 3.1Å; F44-M69 HydrophobicContact CB-CE 3.91Å; F44-M69 HydrophobicContact CB-SD 3.68Å; F44-P83 HydrophobicContact CB-CB 4.44Å; F44-P83 HydrophobicContact CD1-CB 3.73Å; F44-P83 HydrophobicContact CD2-CB 3.42Å; F44-P83 VanDerWaalsContact CD2-CB 3.42Å; F44-P83 HydrophobicContact CD2-CG 4.08Å; F44-P83 HydrophobicContact CE1-CB 3.72Å; F44-P83 HydrophobicContact CE2-CB 3.42Å; F44-P83 VanDerWaalsContact CE2-CB 3.42Å; F44-P83 HydrophobicContact CE2-CG 3.81Å; F44-P83 HydrophobicContact CG-CB 3.59Å; F44-P83 HydrophobicContact CZ-CB 3.57Å; F44-P83 HydrophobicContact CZ-CG 4.17Å; F44-L84 HydrophobicContact CE1-CB 4.15Å; F44-Y124 WeakPolarHBondContact CE1-OH 3.47Å; F44-Y124 VanDerWaalsContact CZ-OH 3.26Å; F44-Y124 WeakPolarHBondContact CZ-OH 3.4Å; F44-L254 HydrophobicContact CE2-CD2 4.21Å; F44-L254 HydrophobicContact CZ-CD2 4Å; F44-M257 HydrophobicContact CE2-SD 4.46Å |
| 45 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 169.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | L41 I42 F43 L47 I48 Q49 | L41-S45 WeakPolarHBondContact O-CB 3.3Å; L41-S45 PolarHBondContact O-N 3.41Å; L41-S45 PolarHBondContact O-OG 3.31Å; I42-S45 WeakPolarHBondContact O-CB 3.39Å; I42-S45 PolarHBondContact O-N 2.72Å; I42-S45 VanDerWaalsContact O-N 3.14Å; F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 3.39Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 2.78Å; S45-I48 PolarHBondContact O-N 2.54Å; S45-Q49 PolarHBondContact O-N 3.29Å |
| 46 | N | 97.5 | Very high | 97.4 | Very high | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.08 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 173.4 | -75.3 | -33.4 | 0 | 0 | 0 | 112.3 | I42 F43 Q49 A50 Y120 H185 E246 | I42-N46 PolarHBondContact O-N 3.42Å; F43-N46 WeakPolarHBondContact O-CB 3.29Å; F43-N46 PolarHBondContact O-N 3.48Å; N46-Q49 PolarHBondContact O-N 3.44Å; N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 2.94Å; N46-Y120 PolarHBondContact O-OH 2.84Å; N46-H185 PolarHBondContact OD1-NE2 2.91Å; N46-E246 PolarHBondContact ND2-OE1 3.16Å |
| 47 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.4 | -179.5 | 64.6 | 0 | 0 | 0 | 111.5 | F43 F44 S45 Q49 A50 I51 L84 A87 V115 L116 Y120 | F43-L47 PolarHBondContact O-N 2.92Å; F44-L47 HydrophobicContact CD1-CD2 3.9Å; F44-L47 HydrophobicContact CE1-CD2 4.23Å; F44-L47 WeakPolarHBondContact O-CB 3.32Å; F44-L47 PolarHBondContact O-N 3.3Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 2.78Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.37Å; L47-A50 PolarHBondContact O-N 2.9Å; L47-I51 HydrophobicContact CD1-CD1 3.97Å; L47-I51 HydrophobicContact CD1-CG1 4.27Å; L47-I51 HydrophobicContact CG-CD1 3.85Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.24Å; L47-I51 PolarHBondContact O-N 3.44Å; L47-L84 HydrophobicContact CD2-CD1 3.73Å; L47-A87 HydrophobicContact CD2-CB 4.16Å; L47-V115 HydrophobicContact CD1-CG1 3.77Å; L47-L116 HydrophobicContact CD1-CD2 4.11Å; L47-Y120 HydrophobicContact CD1-CD2 3.8Å; L47-Y120 HydrophobicContact CD1-CE2 3.71Å |
| 48 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 175.6 | -66.1 | 170.3 | 0 | 0 | 0 | 110.1 | F44 S45 A50 I51 G52 I62 A65 I66 M69 A87 L91 | F44-I48 VanDerWaalsContact O-CG1 3.31Å; F44-I48 WeakPolarHBondContact O-CG1 3.42Å; F44-I48 PolarHBondContact O-N 3.1Å; S45-I48 PolarHBondContact O-N 2.54Å; I48-A50 PolarHBondContact O-N 2.9Å; I48-I51 PolarHBondContact O-N 3.19Å; I48-G52 PolarHBondContact O-N 3.06Å; I48-I62 HydrophobicContact CG2-CG2 4.21Å; I48-A65 HydrophobicContact CG2-CB 3.68Å; I48-I66 HydrophobicContact CB-CG1 4.22Å; I48-I66 HydrophobicContact CD1-CG1 4.21Å; I48-I66 HydrophobicContact CG2-CG1 4.06Å; I48-M69 HydrophobicContact CD1-CB 4.12Å; I48-M69 HydrophobicContact CD1-CE 4.06Å; I48-M69 HydrophobicContact CD1-SD 3.75Å; I48-A87 HydrophobicContact CD1-CB 4.15Å; I48-A87 HydrophobicContact CG1-CB 3.57Å; I48-L91 HydrophobicContact CG2-CD1 4.17Å |
| 49 | Q | 98.5 | Very high | 97.4 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 176.6 | -176.4 | 71.8 | 44.3 | 0 | 0 | 111.3 | S45 N46 L47 I51 G52 E53 I62 | S45-Q49 PolarHBondContact O-N 3.29Å; N46-Q49 PolarHBondContact O-N 3.44Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.37Å; Q49-I51 PolarHBondContact O-N 3.42Å; Q49-G52 PolarHBondContact O-N 3.22Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.08Å; Q49-E53 PolarHBondContact NE2-OE1 3.4Å; Q49-E53 WeakPolarHBondContact O-CB 3.46Å; Q49-E53 VanDerWaalsContact O-CG 3.29Å; Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 3.34Å; Q49-I62 HydrophobicContact CB-CG2 4.22Å; Q49-I62 VanDerWaalsContact OE1-CG2 3.22Å |
| 50 | A | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N46 L47 I48 Q54 V115 Y120 | N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 2.94Å; L47-A50 PolarHBondContact O-N 2.9Å; I48-A50 PolarHBondContact O-N 2.9Å; A50-Q54 WeakPolarHBondContact O-CB 3.17Å; A50-Q54 PolarHBondContact O-N 3.04Å; A50-Q54 VanDerWaalsContact O-N 3.12Å; A50-V115 HydrophobicContact CB-CG1 3.74Å; A50-Y120 HydrophobicContact CB-CE2 4.3Å |
| 51 | I | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.6 | -63.4 | 165.6 | 0 | 0 | 0 | 109.9 | L47 I48 Q49 Q54 L55 L91 L108 T111 V115 | L47-I51 HydrophobicContact CD1-CD1 3.97Å; L47-I51 HydrophobicContact CD1-CG1 4.27Å; L47-I51 HydrophobicContact CG-CD1 3.85Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.24Å; L47-I51 PolarHBondContact O-N 3.44Å; I48-I51 PolarHBondContact O-N 3.19Å; Q49-I51 PolarHBondContact O-N 3.42Å; I51-Q54 PolarHBondContact O-N 3.44Å; I51-L55 HydrophobicContact CG2-CD1 3.89Å; I51-L55 HydrophobicContact CG2-CG 4.42Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.36Å; I51-L91 HydrophobicContact CB-CD2 4.03Å; I51-L91 HydrophobicContact CG2-CD2 3.51Å; I51-L108 HydrophobicContact CG2-CD1 4.11Å; I51-T111 HydrophobicContact CG2-CG2 4.1Å; I51-V115 HydrophobicContact CG1-CB 4.16Å; I51-V115 HydrophobicContact CG1-CG1 4.19Å; I51-V115 HydrophobicContact CG1-CG2 4Å |
| 52 | G | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I48 Q49 L55 K56 V57 | I48-G52 PolarHBondContact O-N 3.06Å; Q49-G52 PolarHBondContact O-N 3.22Å; G52-L55 CarbonylContact O-C 3.51Å; G52-L55 PolarHBondContact O-N 3.37Å; G52-K56 PolarHBondContact O-N 3.19Å; G52-V57 PolarHBondContact O-N 2.83Å |
| 53 | E | 97.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176 | -74.5 | 171 | 173.9 | 0 | 0 | 111.9 | Q49 L55 K56 I62 | Q49-E53 WeakPolarHBondContact CG-OE1 3.08Å; Q49-E53 PolarHBondContact NE2-OE1 3.4Å; Q49-E53 WeakPolarHBondContact O-CB 3.46Å; Q49-E53 VanDerWaalsContact O-CG 3.29Å; Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 3.34Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.66Å; E53-K56 WeakPolarHBondContact O-CA 3.46Å; E53-K56 PolarHBondContact O-N 3.2Å; E53-I62 HydrophobicContact CG-CD1 4.45Å |
| 54 | Q | 97.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 36.1 Ų | 36.1 | 41% | 0.407 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.5 | -31.6 | 178.4 | -173.9 | 170.6 | -10.9 | 0 | 0 | 112.1 | A50 I51 K56 T111 S114 V115 | A50-Q54 WeakPolarHBondContact O-CB 3.17Å; A50-Q54 PolarHBondContact O-N 3.04Å; A50-Q54 VanDerWaalsContact O-N 3.12Å; I51-Q54 PolarHBondContact O-N 3.44Å; Q54-K56 PolarHBondContact O-N 2.78Å; Q54-T111 HydrophobicContact CB-CG2 3.69Å; Q54-T111 HydrophobicContact CG-CG2 3.67Å; Q54-S114 PolarHBondContact NE2-OG 3.44Å; Q54-V115 HydrophobicContact CB-CG2 4.38Å |
| 55 | L | 96.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -76.5 | -9.5 | 170.4 | -69.8 | 176.8 | 0 | 0 | 0 | 113.4 | I51 G52 E53 V57 L91 I103 K107 L108 T111 | I51-L55 HydrophobicContact CG2-CD1 3.89Å; I51-L55 HydrophobicContact CG2-CG 4.42Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.39Å; I51-L55 PolarHBondContact O-N 3.36Å; G52-L55 CarbonylContact O-C 3.51Å; G52-L55 PolarHBondContact O-N 3.37Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.66Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 HydrophobicContact CB-CG1 3.97Å; L55-V57 PolarHBondContact O-N 3.45Å; L55-L91 HydrophobicContact CD1-CD2 3.99Å; L55-I103 HydrophobicContact CD1-CD1 4.09Å; L55-I103 HydrophobicContact CD1-CG2 3.99Å; L55-I103 HydrophobicContact CD2-CG2 4.47Å; L55-K107 HydrophobicContact CD2-CD 4.09Å; L55-K107 HydrophobicContact CD2-CG 3.85Å; L55-L108 HydrophobicContact CD1-CD1 3.75Å; L55-T111 HydrophobicContact CD2-CG2 4.13Å; L55-T111 VanDerWaalsContact CD2-OG1 3.28Å; L55-T111 WeakPolarHBondContact CD2-OG1 3.38Å; L55-T111 HydrophobicContact CG-CG2 3.94Å |
| 56 | K | 95.1 | Very high | 97.6 | Very high | 175 Ų | 175 | 36.1 Ų | 36.1 | 76% | 0.761 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 35.9 | -175.8 | -54.6 | -176.2 | 178.3 | -175.6 | 0 | 113.2 | G52 E53 Q54 F100 | G52-K56 PolarHBondContact O-N 3.19Å; E53-K56 WeakPolarHBondContact O-CA 3.46Å; E53-K56 PolarHBondContact O-N 3.2Å; Q54-K56 PolarHBondContact O-N 2.78Å; K56-F100 WeakPolarHBondContact O-CZ 3.41Å |
| 57 | V | 95.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | trans | -77.5 | 156.5 | 172.8 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | G52 L55 V61 I62 L91 F100 I103 | G52-V57 PolarHBondContact O-N 2.83Å; L55-V57 VanDerWaalsContact C-N 3.28Å; L55-V57 HydrophobicContact CB-CG1 3.97Å; L55-V57 PolarHBondContact O-N 3.45Å; V57-V61 HydrophobicContact CB-CB 4.24Å; V57-V61 HydrophobicContact CB-CG1 4.35Å; V57-V61 HydrophobicContact CG2-CB 4.09Å; V57-V61 HydrophobicContact CG2-CG1 4.21Å; V57-I62 HydrophobicContact CG2-CD1 4.06Å; V57-I62 HydrophobicContact CG2-CG1 3.57Å; V57-L91 HydrophobicContact CG2-CD1 4.14Å; V57-F100 HydrophobicContact CB-CD1 4.19Å; V57-F100 HydrophobicContact CB-CE1 3.99Å; V57-F100 HydrophobicContact CB-CZ 4.25Å; V57-F100 HydrophobicContact CG1-CD1 3.99Å; V57-F100 HydrophobicContact CG1-CE1 3.7Å; V57-F100 HydrophobicContact CG1-CZ 4.36Å; V57-I103 HydrophobicContact CG1-CD1 3.87Å; V57-I103 HydrophobicContact CG1-CG1 4.33Å | ||
| 58 | R | 96.1 | Very high | 97.7 | Very high | 172 Ų | 172 | 35.4 Ų | 35.4 | 65% | 0.649 | 16% | 0.158 | S | C | * | . | trans | -66 | 148.6 | 177.5 | -66.4 | 173.1 | -174.8 | 173.6 | 1.3 | 110.7 | Q60 V61 I62 F100 | R58-Q60 PolarHBondContact O-N 3.09Å; R58-Q60 VanDerWaalsContact O-N 3.13Å; R58-V61 HydrophobicContact CB-CG2 4.24Å; R58-V61 VanDerWaalsContact O-CB 3.3Å; R58-V61 WeakPolarHBondContact O-CB 3.38Å; R58-V61 PolarHBondContact O-N 3.36Å; R58-I62 PolarHBondContact O-N 3.31Å; R58-F100 HydrophobicContact CB-CD2 4.34Å; R58-F100 HydrophobicContact CG-CD2 3.75Å; R58-F100 HydrophobicContact CG-CE2 3.78Å | ||
| 59 | Q | 96.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 25% | 0.252 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -55.1 | -34.8 | 177.7 | -173.9 | 60 | 27.3 | 0 | 0 | 113 | V61 I62 A63 Y156 N181 | Q59-V61 VanDerWaalsContact C-N 3.28Å; Q59-V61 PolarHBondContact O-N 3.06Å; Q59-I62 WeakPolarHBondContact O-CB 3.29Å; Q59-I62 PolarHBondContact O-N 3.34Å; Q59-I62 VanDerWaalsContact O-N 3.16Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.04Å; Q59-Y156 WeakPolarHBondContact CG-OH 3.41Å; Q59-N181 WeakPolarHBondContact CG-OD1 3.4Å |
| 60 | Q | 97.2 | Very high | 97.7 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 42% | 0.421 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.7 | -36.7 | 175.4 | -176.4 | 170.6 | -26 | 0 | 0 | 113 | R58 T64 E98 | R58-Q60 PolarHBondContact O-N 3.09Å; R58-Q60 VanDerWaalsContact O-N 3.13Å; Q60-T64 WeakPolarHBondContact O-CB 3.45Å; Q60-T64 PolarHBondContact O-N 3.16Å; Q60-T64 PolarHBondContact O-OG1 2.91Å; Q60-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q60-E98 PolarHBondContact NE2-OE2 3.15Å |
| 61 | V | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | V57 R58 Q59 T64 A65 L91 A94 E98 F100 | V57-V61 HydrophobicContact CB-CB 4.24Å; V57-V61 HydrophobicContact CB-CG1 4.35Å; V57-V61 HydrophobicContact CG2-CB 4.09Å; V57-V61 HydrophobicContact CG2-CG1 4.21Å; R58-V61 HydrophobicContact CB-CG2 4.24Å; R58-V61 VanDerWaalsContact O-CB 3.3Å; R58-V61 WeakPolarHBondContact O-CB 3.38Å; R58-V61 PolarHBondContact O-N 3.36Å; Q59-V61 VanDerWaalsContact C-N 3.28Å; Q59-V61 PolarHBondContact O-N 3.06Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 3.19Å; V61-A65 WeakPolarHBondContact O-CB 3.25Å; V61-A65 PolarHBondContact O-N 2.98Å; V61-L91 HydrophobicContact CG1-CD1 4.36Å; V61-A94 HydrophobicContact CG1-CB 4.01Å; V61-A94 WeakPolarHBondContact O-CB 3.47Å; V61-E98 HydrophobicContact CG2-CB 3.88Å; V61-E98 HydrophobicContact CG2-CG 4.43Å; V61-F100 HydrophobicContact CG2-CB 3.74Å; V61-F100 HydrophobicContact CG2-CD2 4.44Å; V61-F100 HydrophobicContact CG2-CG 4.12Å |
| 62 | I | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 177.9 | -60.8 | 175.6 | 0 | 0 | 0 | 110.4 | I48 Q49 E53 V57 R58 Q59 T64 A65 I66 L91 | I48-I62 HydrophobicContact CG2-CG2 4.21Å; Q49-I62 HydrophobicContact CB-CG2 4.22Å; Q49-I62 VanDerWaalsContact OE1-CG2 3.22Å; E53-I62 HydrophobicContact CG-CD1 4.45Å; V57-I62 HydrophobicContact CG2-CD1 4.06Å; V57-I62 HydrophobicContact CG2-CG1 3.57Å; R58-I62 PolarHBondContact O-N 3.31Å; Q59-I62 WeakPolarHBondContact O-CB 3.29Å; Q59-I62 PolarHBondContact O-N 3.34Å; Q59-I62 VanDerWaalsContact O-N 3.16Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.02Å; I62-A65 WeakPolarHBondContact O-CB 3.47Å; I62-A65 PolarHBondContact O-N 3.28Å; I62-A65 VanDerWaalsContact O-N 3.15Å; I62-I66 HydrophobicContact CG2-CD1 4.02Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 3Å; I62-L91 HydrophobicContact CG1-CD1 4.33Å |
| 63 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q59 A65 I66 V67 Y156 Y184 | Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.04Å; A63-A65 VanDerWaalsContact C-N 3.35Å; A63-A65 PolarHBondContact O-N 3.13Å; A63-I66 PolarHBondContact O-N 3.14Å; A63-V67 WeakPolarHBondContact O-CG2 3.32Å; A63-V67 PolarHBondContact O-N 2.92Å; A63-Y156 HydrophobicContact CB-CE2 3.97Å; A63-Y184 HydrophobicContact CB-CD1 4.34Å; A63-Y184 HydrophobicContact CB-CD2 4.24Å; A63-Y184 HydrophobicContact CB-CE1 3.86Å; A63-Y184 HydrophobicContact CB-CE2 3.76Å |
| 64 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | Q60 V61 I62 I66 V67 Y68 A94 E98 V152 H154 | Q60-T64 WeakPolarHBondContact O-CB 3.45Å; Q60-T64 PolarHBondContact O-N 3.16Å; Q60-T64 PolarHBondContact O-OG1 2.91Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 3.19Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.02Å; T64-I66 PolarHBondContact O-N 3.36Å; T64-V67 PolarHBondContact O-N 3.37Å; T64-Y68 HydrophobicContact CG2-CD1 4.32Å; T64-Y68 HydrophobicContact CG2-CD2 4.31Å; T64-Y68 HydrophobicContact CG2-CE1 3.77Å; T64-Y68 HydrophobicContact CG2-CE2 3.75Å; T64-Y68 VanDerWaalsContact CG2-CZ 3.44Å; T64-Y68 PolarHBondContact O-N 3.02Å; T64-A94 HydrophobicContact CG2-CB 3.71Å; T64-E98 HydrophobicContact CG2-CG 4.2Å; T64-E98 WeakPolarHBondContact OG1-CG 3.37Å; T64-E98 PolarHBondContact OG1-OE1 3.47Å; T64-V152 HydrophobicContact CG2-CB 4.44Å; T64-V152 HydrophobicContact CG2-CG2 3.97Å; T64-H154 PolarHBondContact N-CE1 2.93Å; T64-H154 PolarHBondContact OG1-CE1 2.98Å; T64-H154 PolarHBondContact OG1-NE2 2.89Å |
| 65 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I48 V61 I62 A63 V67 Y68 M69 C90 L91 A94 | I48-A65 HydrophobicContact CG2-CB 3.68Å; V61-A65 WeakPolarHBondContact O-CB 3.25Å; V61-A65 PolarHBondContact O-N 2.98Å; I62-A65 WeakPolarHBondContact O-CB 3.47Å; I62-A65 PolarHBondContact O-N 3.28Å; I62-A65 VanDerWaalsContact O-N 3.15Å; A63-A65 VanDerWaalsContact C-N 3.35Å; A63-A65 PolarHBondContact O-N 3.13Å; A65-V67 VanDerWaalsContact C-N 3.34Å; A65-Y68 PolarHBondContact O-N 2.8Å; A65-M69 PolarHBondContact O-N 3.26Å; A65-C90 HydrophobicContact CB-CB 4.05Å; A65-C90 VanDerWaalsContact O-CB 3.29Å; A65-C90 WeakPolarHBondContact O-CB 3.49Å; A65-L91 HydrophobicContact CB-CB 4.17Å; A65-L91 HydrophobicContact CB-CD1 3.96Å; A65-A94 HydrophobicContact CB-CB 3.91Å |
| 66 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.3 | -64.9 | 166.1 | 0 | 0 | 0 | 110.3 | I48 I62 A63 T64 Y68 M69 R70 Y184 | I48-I66 HydrophobicContact CB-CG1 4.22Å; I48-I66 HydrophobicContact CD1-CG1 4.21Å; I48-I66 HydrophobicContact CG2-CG1 4.06Å; I62-I66 HydrophobicContact CG2-CD1 4.02Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 3Å; A63-I66 PolarHBondContact O-N 3.14Å; T64-I66 PolarHBondContact O-N 3.36Å; I66-Y68 PolarHBondContact O-N 3.39Å; I66-M69 PolarHBondContact O-N 2.91Å; I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 3.37Å; I66-Y184 WeakPolarHBondContact CG2-O 3.43Å |
| 67 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | A63 T64 A65 M69 R70 R71 V152 Y184 | A63-V67 WeakPolarHBondContact O-CG2 3.32Å; A63-V67 PolarHBondContact O-N 2.92Å; T64-V67 PolarHBondContact O-N 3.37Å; A65-V67 VanDerWaalsContact C-N 3.34Å; V67-M69 VanDerWaalsContact C-N 3.35Å; V67-M69 PolarHBondContact O-N 3.11Å; V67-R70 PolarHBondContact O-N 3.02Å; V67-R71 HydrophobicContact CG1-CG 4.14Å; V67-R71 WeakPolarHBondContact O-CB 3.5Å; V67-R71 VanDerWaalsContact O-CG 3.29Å; V67-R71 WeakPolarHBondContact O-CG 3.4Å; V67-R71 PolarHBondContact O-N 3.24Å; V67-V152 HydrophobicContact CB-CG1 4.19Å; V67-V152 HydrophobicContact CB-CG2 4.42Å; V67-V152 HydrophobicContact CG1-CG1 3.98Å; V67-V152 HydrophobicContact CG1-CG2 4.03Å; V67-V152 HydrophobicContact CG2-CG1 4.1Å; V67-Y184 HydrophobicContact CG2-CD1 3.88Å; V67-Y184 HydrophobicContact CG2-CE1 3.8Å |
| 68 | Y | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.2 | -70.2 | -9.2 | 0 | 0 | 0 | 112.5 | T64 A65 I66 R70 R71 F72 L93 A94 V97 M146 L150 V152 | T64-Y68 HydrophobicContact CG2-CD1 4.32Å; T64-Y68 HydrophobicContact CG2-CD2 4.31Å; T64-Y68 HydrophobicContact CG2-CE1 3.77Å; T64-Y68 HydrophobicContact CG2-CE2 3.75Å; T64-Y68 VanDerWaalsContact CG2-CZ 3.44Å; T64-Y68 PolarHBondContact O-N 3.02Å; A65-Y68 PolarHBondContact O-N 2.8Å; I66-Y68 PolarHBondContact O-N 3.39Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.31Å; Y68-R71 PolarHBondContact O-N 3.09Å; Y68-F72 PolarHBondContact O-N 3.18Å; Y68-L93 HydrophobicContact CD2-CB 4.48Å; Y68-L93 HydrophobicContact CD2-CD2 4.09Å; Y68-L93 HydrophobicContact CD2-CG 4.26Å; Y68-L93 HydrophobicContact CE2-CB 4.37Å; Y68-L93 HydrophobicContact CE2-CD2 3.96Å; Y68-L93 HydrophobicContact CE2-CG 3.83Å; Y68-A94 HydrophobicContact CD2-CB 4.29Å; Y68-A94 HydrophobicContact CE2-CB 4.06Å; Y68-V97 WeakPolarHBondContact OH-CG1 3.38Å; Y68-M146 HydrophobicContact CD1-CE 3.81Å; Y68-M146 HydrophobicContact CD1-SD 3.57Å; Y68-M146 VanDerWaalsContact CD1-SD 3.57Å; Y68-M146 HydrophobicContact CD2-CE 4.11Å; Y68-M146 HydrophobicContact CE1-CE 4.16Å; Y68-M146 HydrophobicContact CE1-SD 4.24Å; Y68-M146 HydrophobicContact CE2-CE 4.44Å; Y68-M146 HydrophobicContact CG-CE 3.79Å; Y68-M146 HydrophobicContact CG-SD 3.88Å; Y68-L150 WeakPolarHBondContact CE1-O 3.44Å; Y68-L150 PolarHBondContact OH-O 3.32Å; Y68-V152 HydrophobicContact CD1-CG2 4.23Å; Y68-V152 HydrophobicContact CE1-CG2 3.68Å |
| 69 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.9 | -174.3 | -178.9 | 69 | 0 | 0 | 111.3 | F44 I48 A65 I66 V67 F72 Y73 L86 C90 | F44-M69 HydrophobicContact CB-CE 3.91Å; F44-M69 HydrophobicContact CB-SD 3.68Å; I48-M69 HydrophobicContact CD1-CB 4.12Å; I48-M69 HydrophobicContact CD1-CE 4.06Å; I48-M69 HydrophobicContact CD1-SD 3.75Å; A65-M69 PolarHBondContact O-N 3.26Å; I66-M69 PolarHBondContact O-N 2.91Å; V67-M69 VanDerWaalsContact C-N 3.35Å; V67-M69 PolarHBondContact O-N 3.11Å; M69-F72 PolarHBondContact O-N 3.06Å; M69-Y73 HydrophobicContact CG-CD2 3.78Å; M69-Y73 HydrophobicContact CG-CE2 3.72Å; M69-Y73 WeakPolarHBondContact O-CD2 3.35Å; M69-Y73 PolarHBondContact O-N 3.13Å; M69-Y73 HydrophobicContact SD-CE2 4.4Å; M69-L86 HydrophobicContact CG-CD2 4.19Å; M69-C90 PolarHBondContact N-SG 3.21Å; M69-C90 VanDerWaalsContact N-SG 3.44Å |
| 70 | R | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 176.5 | -72.1 | -173.7 | 179.4 | -78.1 | -10.3 | 112.7 | I66 V67 Y68 F72 Y73 V74 Y184 H185 S186 D187 L190 | I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 3.37Å; V67-R70 PolarHBondContact O-N 3.02Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.31Å; R70-F72 VanDerWaalsContact C-N 3.29Å; R70-F72 PolarHBondContact O-N 3.2Å; R70-Y73 PolarHBondContact O-N 3.3Å; R70-V74 WeakPolarHBondContact O-CB 3.02Å; R70-V74 PolarHBondContact O-N 3.42Å; R70-Y184 VanDerWaalsContact CZ-O 3.3Å; R70-Y184 PolarHBondContact NE-O 3.01Å; R70-Y184 PolarHBondContact NH2-O 3.3Å; R70-H185 VanDerWaalsContact NH2-CA 3.34Å; R70-H185 PolarHBondContact NH2-O 3.35Å; R70-S186 VanDerWaalsContact CZ-C 3.42Å; R70-S186 PolarHBondContact NE-O 3.48Å; R70-S186 VanDerWaalsContact NH1-C 3.35Å; R70-S186 PolarHBondContact NH1-O 3.42Å; R70-D187 IonicContact NH1-OD1 3.98Å; R70-D187 PolarHBondContact NH1-OD1 3.46Å; R70-L190 HydrophobicContact CB-CD1 4.05Å; R70-L190 HydrophobicContact CB-CD2 4.47Å; R70-L190 HydrophobicContact CB-CG 4.36Å |
| 71 | R | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 175.6 | -73.1 | -175.2 | 179.1 | 177.2 | 0.8 | 112.2 | H10 W14 V67 Y68 V74 M146 C149 L190 | H10-R71 PolarHBondContact CD2-NH2 3.47Å; H10-R71 VanDerWaalsContact CG-NH2 3.26Å; H10-R71 PolarHBondContact NE2-NH2 3.4Å; W14-R71 HydrophobicContact CD2-CB 4.36Å; W14-R71 HydrophobicContact CD2-CG 3.8Å; W14-R71 HydrophobicContact CE3-CB 3.71Å; W14-R71 HydrophobicContact CE3-CG 3.38Å; W14-R71 HydrophobicContact CG-CG 4.4Å; W14-R71 HydrophobicContact CH2-CB 3.98Å; W14-R71 HydrophobicContact CH2-CG 4.47Å; W14-R71 HydrophobicContact CZ3-CB 3.48Å; W14-R71 VanDerWaalsContact CZ3-CB 3.48Å; W14-R71 HydrophobicContact CZ3-CG 3.75Å; W14-R71 WeakPolarHBondContact CZ3-O 3.23Å; V67-R71 HydrophobicContact CG1-CG 4.14Å; V67-R71 WeakPolarHBondContact O-CB 3.5Å; V67-R71 VanDerWaalsContact O-CG 3.29Å; V67-R71 WeakPolarHBondContact O-CG 3.4Å; V67-R71 PolarHBondContact O-N 3.24Å; Y68-R71 PolarHBondContact O-N 3.09Å; R71-V74 WeakPolarHBondContact O-CG1 3.44Å; R71-M146 HydrophobicContact CB-CG 4.24Å; R71-M146 HydrophobicContact CB-SD 4.01Å; R71-C149 PolarHBondContact NH1-O 3.45Å; R71-L190 HydrophobicContact CG-CD2 3.8Å |
| 72 | F | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 1% | 0.013 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.6 | -54.5 | 173.8 | -174.4 | -88.3 | 0 | 0 | 0 | 111.2 | Y68 M69 R70 V74 R75 N76 C80 I81 L86 L142 I145 | Y68-F72 PolarHBondContact O-N 3.18Å; M69-F72 PolarHBondContact O-N 3.06Å; R70-F72 VanDerWaalsContact C-N 3.29Å; R70-F72 PolarHBondContact O-N 3.2Å; F72-V74 VanDerWaalsContact C-N 3.3Å; F72-V74 PolarHBondContact O-N 3.36Å; F72-R75 PolarHBondContact O-N 2.9Å; F72-N76 HydrophobicContact CD1-CB 4.15Å; F72-N76 HydrophobicContact CE1-CB 3.77Å; F72-N76 HydrophobicContact CZ-CB 4.07Å; F72-N76 WeakPolarHBondContact O-CB 3.23Å; F72-N76 PolarHBondContact O-N 3.25Å; F72-N76 PolarHBondContact O-ND2 3.03Å; F72-N76 VanDerWaalsContact O-ND2 3.12Å; F72-C80 HydrophobicContact CE1-CB 4.27Å; F72-C80 HydrophobicContact CZ-CB 4.24Å; F72-I81 HydrophobicContact CE1-CB 4.1Å; F72-I81 HydrophobicContact CE1-CD1 4.26Å; F72-I81 HydrophobicContact CE1-CG1 4.19Å; F72-I81 HydrophobicContact CE2-CD1 3.72Å; F72-I81 HydrophobicContact CE2-CG1 4.42Å; F72-I81 HydrophobicContact CZ-CB 4.06Å; F72-I81 HydrophobicContact CZ-CD1 3.43Å; F72-I81 VanDerWaalsContact CZ-CD1 3.43Å; F72-I81 HydrophobicContact CZ-CG1 3.63Å; F72-L86 HydrophobicContact CB-CD2 3.85Å; F72-L86 HydrophobicContact CD1-CD2 3.38Å; F72-L86 HydrophobicContact CD2-CD2 4.46Å; F72-L86 HydrophobicContact CE1-CD2 4.06Å; F72-L86 HydrophobicContact CG-CD1 4.42Å; F72-L86 HydrophobicContact CG-CD2 3.63Å; F72-L142 HydrophobicContact CB-CD1 3.99Å; F72-L142 HydrophobicContact CD2-CD1 3.97Å; F72-L142 HydrophobicContact CG-CD1 4.37Å; F72-I145 HydrophobicContact CD2-CB 4.1Å; F72-I145 HydrophobicContact CD2-CG1 4.18Å; F72-I145 HydrophobicContact CD2-CG2 3.94Å; F72-I145 HydrophobicContact CE2-CB 4.27Å; F72-I145 HydrophobicContact CE2-CG1 3.84Å; F72-I145 HydrophobicContact CE2-CG2 4.42Å |
| 73 | Y | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -77.8 | -7.1 | -174.7 | -69.8 | -52.8 | 0 | 0 | 0 | 115.4 | Y37 L41 M69 R70 N76 L78 I81 P83 L86 | Y37-Y73 PolarHBondContact OH-O 3.07Å; L41-Y73 HydrophobicContact CD2-CD2 4.03Å; M69-Y73 HydrophobicContact CG-CD2 3.78Å; M69-Y73 HydrophobicContact CG-CE2 3.72Å; M69-Y73 WeakPolarHBondContact O-CD2 3.35Å; M69-Y73 PolarHBondContact O-N 3.13Å; M69-Y73 HydrophobicContact SD-CE2 4.4Å; R70-Y73 PolarHBondContact O-N 3.3Å; Y73-N76 CarbonylContact C-O 3.08Å; Y73-N76 WeakPolarHBondContact CA-O 3.41Å; Y73-N76 VanDerWaalsContact O-O 3.1Å; Y73-L78 HydrophobicContact CD1-CD2 3.79Å; Y73-L78 HydrophobicContact CD1-CG 4.44Å; Y73-L78 HydrophobicContact CD2-CD2 4.11Å; Y73-L78 HydrophobicContact CE1-CD2 3.82Å; Y73-L78 HydrophobicContact CE2-CD2 4.09Å; Y73-L78 HydrophobicContact CG-CD2 3.97Å; Y73-I81 PolarHBondContact OH-O 2.98Å; Y73-P83 HydrophobicContact CE2-CB 4.08Å; Y73-P83 HydrophobicContact CE2-CG 4.06Å; Y73-P83 WeakPolarHBondContact OH-CA 3.34Å; Y73-P83 WeakPolarHBondContact OH-CB 3.37Å; Y73-P83 WeakPolarHBondContact OH-CD 3.46Å; Y73-P83 VanDerWaalsContact OH-CG 3.25Å; Y73-P83 WeakPolarHBondContact OH-CG 3.49Å; Y73-L86 HydrophobicContact CD2-CD2 4.15Å; Y73-L86 HydrophobicContact CE1-CD2 4.21Å; Y73-L86 HydrophobicContact CE2-CD2 3.47Å; Y73-L86 VanDerWaalsContact CE2-CD2 3.47Å; Y73-L86 VanDerWaalsContact CZ-CD2 3.47Å; Y73-L86 WeakPolarHBondContact OH-CD2 3.42Å |
| 74 | V | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -77.1 | -24.4 | 168.7 | 81.5 | 0 | 0 | 0 | 0 | 112.2 | W14 L16 I21 E24 R70 R71 F72 L190 | W14-V74 HydrophobicContact CZ3-CG1 4.09Å; L16-V74 HydrophobicContact CD1-CB 4.35Å; L16-V74 HydrophobicContact CD1-CG1 3.7Å; L16-V74 HydrophobicContact CD1-CG2 3.71Å; I21-V74 HydrophobicContact CB-CG2 4.13Å; I21-V74 HydrophobicContact CD1-CG2 4.13Å; I21-V74 HydrophobicContact CG1-CG2 3.66Å; I21-V74 HydrophobicContact CG2-CG2 3.95Å; E24-V74 WeakPolarHBondContact CB-O 3.34Å; R70-V74 WeakPolarHBondContact O-CB 3.02Å; R70-V74 PolarHBondContact O-N 3.42Å; R71-V74 WeakPolarHBondContact O-CG1 3.44Å; F72-V74 VanDerWaalsContact C-N 3.3Å; F72-V74 PolarHBondContact O-N 3.36Å; V74-L190 HydrophobicContact CB-CD1 3.95Å; V74-L190 HydrophobicContact CG1-CD1 4.32Å; V74-L190 HydrophobicContact CG2-CD1 4.04Å |
| 75 | R | 94.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 17.1 Ų | 17.1 | 32% | 0.321 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -110.9 | -5.2 | 178 | -64.1 | -64.1 | -172.4 | -179.6 | -5 | 113.5 | W14 E20 E24 F72 | W14-R75 HydrophobicContact CZ3-CG 4.44Å; E20-R75 IonicContact OE1-CZ 2.99Å; E20-R75 IonicContact OE1-NH1 2.76Å; E20-R75 PolarHBondContact OE1-NH1 3.26Å; E20-R75 IonicContact OE1-NH2 3.81Å; E20-R75 PolarHBondContact OE1-NH2 3.4Å; E24-R75 IonicContact OE1-CZ 3.18Å; E24-R75 IonicContact OE1-NH1 2.74Å; E24-R75 PolarHBondContact OE1-NH1 2.69Å; F72-R75 PolarHBondContact O-N 2.9Å |
| 76 | N | 95.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 17.1 Ų | 17.1 | 17% | 0.171 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -138.5 | 144.9 | -175.6 | -66 | -88.7 | 0 | 0 | 0 | 110.8 | F72 Y73 C80 I145 | F72-N76 HydrophobicContact CD1-CB 4.15Å; F72-N76 HydrophobicContact CE1-CB 3.77Å; F72-N76 HydrophobicContact CZ-CB 4.07Å; F72-N76 WeakPolarHBondContact O-CB 3.23Å; F72-N76 PolarHBondContact O-N 3.25Å; F72-N76 PolarHBondContact O-ND2 3.03Å; F72-N76 VanDerWaalsContact O-ND2 3.12Å; Y73-N76 CarbonylContact C-O 3.08Å; Y73-N76 WeakPolarHBondContact CA-O 3.41Å; Y73-N76 VanDerWaalsContact O-O 3.1Å; N76-C80 HydrophobicContact CB-CB 4.15Å; N76-I145 WeakPolarHBondContact ND2-CD1 3.13Å; N76-I145 WeakPolarHBondContact ND2-CG2 3.25Å |
| 77 | S | 95.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 17.1 Ų | 17.1 | 12% | 0.119 | 9% | 0.086 | C | C | . | . | trans | -68.8 | 152.7 | 173.9 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | D28 K79 C80 | D28-S77 WeakPolarHBondContact OD1-CB 3.47Å; D28-S77 PolarHBondContact OD1-OG 3.48Å; D28-S77 WeakPolarHBondContact OD2-CA 3.48Å; D28-S77 PolarHBondContact OD2-OG 2.96Å; S77-K79 PolarHBondContact O-N 2.88Å; S77-K79 WeakPolarHBondContact OG-CD 3.49Å; S77-K79 WeakPolarHBondContact OG-CG 3.46Å; S77-K79 PolarHBondContact OG-N 3.19Å; S77-C80 VanDerWaalsContact O-CB 3.31Å; S77-C80 WeakPolarHBondContact O-CB 3.41Å; S77-C80 PolarHBondContact O-N 2.86Å | ||
| 78 | L | 95.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21.7 | 170.5 | -66.8 | 169.6 | 0 | 0 | 0 | 112.8 | D28 L32 Y37 V40 Y73 C80 P83 M257 | D28-L78 WeakPolarHBondContact OD2-CG 3.35Å; D28-L78 PolarHBondContact OD2-N 3.27Å; L32-L78 HydrophobicContact CD1-CD1 3.69Å; Y37-L78 HydrophobicContact CD2-CD1 3.87Å; Y37-L78 HydrophobicContact CE2-CD1 3.72Å; Y37-L78 HydrophobicContact CE2-CG 4.02Å; V40-L78 HydrophobicContact CG1-CD1 4.26Å; V40-L78 HydrophobicContact CG1-CD2 4.41Å; Y73-L78 HydrophobicContact CD1-CD2 3.79Å; Y73-L78 HydrophobicContact CD1-CG 4.44Å; Y73-L78 HydrophobicContact CD2-CD2 4.11Å; Y73-L78 HydrophobicContact CE1-CD2 3.82Å; Y73-L78 HydrophobicContact CE2-CD2 4.09Å; Y73-L78 HydrophobicContact CG-CD2 3.97Å; L78-C80 VanDerWaalsContact C-N 3.33Å; L78-P83 HydrophobicContact CD2-CG 3.87Å; L78-M257 HydrophobicContact CB-CG 4.16Å; L78-M257 HydrophobicContact CB-SD 4.48Å; L78-M257 HydrophobicContact CD1-CG 4.07Å; L78-M257 HydrophobicContact CD1-SD 4.38Å |
| 79 | K | 94.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 17 Ų | 17 | 40% | 0.396 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12.8 | 173.7 | 79.4 | -158.5 | 176 | -162.3 | 0 | 114.2 | Q27 S77 P258 P260 | Q27-K79 VanDerWaalsContact OE1-NZ 3.11Å; S77-K79 PolarHBondContact O-N 2.88Å; S77-K79 WeakPolarHBondContact OG-CD 3.49Å; S77-K79 WeakPolarHBondContact OG-CG 3.46Å; S77-K79 PolarHBondContact OG-N 3.19Å; K79-P258 HydrophobicContact CB-CB 3.73Å; K79-P260 WeakPolarHBondContact O-CA 3.18Å; K79-P260 WeakPolarHBondContact O-CB 3.31Å |
| 80 | C | 94.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 17 Ų | 17 | 42% | 0.419 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -50.8 | -177.1 | -69 | 0 | 0 | 0 | 0 | 110.7 | F72 N76 S77 L78 | F72-C80 HydrophobicContact CE1-CB 4.27Å; F72-C80 HydrophobicContact CZ-CB 4.24Å; N76-C80 HydrophobicContact CB-CB 4.15Å; S77-C80 VanDerWaalsContact O-CB 3.31Å; S77-C80 WeakPolarHBondContact O-CB 3.41Å; S77-C80 PolarHBondContact O-N 2.86Å; L78-C80 VanDerWaalsContact C-N 3.33Å |
| 81 | I | 96 | Very high | 96.7 | Very high | 17 Ų | 17 | 17 Ų | 17 | 9% | 0.087 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -136 | 133.4 | 174.5 | -60.9 | -178.9 | 0 | 0 | 0 | 107.3 | F72 Y73 P83 L85 L86 A138 F141 | F72-I81 HydrophobicContact CE1-CB 4.1Å; F72-I81 HydrophobicContact CE1-CD1 4.26Å; F72-I81 HydrophobicContact CE1-CG1 4.19Å; F72-I81 HydrophobicContact CE2-CD1 3.72Å; F72-I81 HydrophobicContact CE2-CG1 4.42Å; F72-I81 HydrophobicContact CZ-CB 4.06Å; F72-I81 HydrophobicContact CZ-CD1 3.43Å; F72-I81 VanDerWaalsContact CZ-CD1 3.43Å; F72-I81 HydrophobicContact CZ-CG1 3.63Å; Y73-I81 PolarHBondContact OH-O 2.98Å; I81-P83 WeakPolarHBondContact O-CD 3.44Å; I81-L85 HydrophobicContact CG2-CB 4.38Å; I81-L85 HydrophobicContact CG2-CD2 4.19Å; I81-L85 HydrophobicContact CG2-CG 4.32Å; I81-L86 HydrophobicContact CD1-CD1 4.45Å; I81-L86 HydrophobicContact CG2-CB 3.97Å; I81-L86 HydrophobicContact CG2-CD1 4.37Å; I81-A138 HydrophobicContact CD1-CB 4.31Å; I81-A138 HydrophobicContact CG2-CB 4.44Å; I81-F141 HydrophobicContact CD1-CB 3.93Å |
| 82 | D | 95.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 17.1 Ų | 17.1 | 14% | 0.139 | 9% | 0.086 | C | C | . | . | trans | -57.7 | 124.6 | 174.5 | -179 | -5.1 | 0 | 0 | 0 | 109.7 | L84 L85 L86 Y130 P260 | D82-L84 PolarHBondContact O-N 3.29Å; D82-L84 VanDerWaalsContact O-N 3.1Å; D82-L84 WeakPolarHBondContact OD1-CB 3.44Å; D82-L84 PolarHBondContact OD1-N 2.7Å; D82-L85 HydrophobicContact CB-CB 4.41Å; D82-L85 WeakPolarHBondContact O-CA 3.16Å; D82-L85 WeakPolarHBondContact O-CB 3.45Å; D82-L85 PolarHBondContact O-N 3Å; D82-L86 PolarHBondContact O-N 2.86Å; D82-Y130 HydrophobicContact CB-CE2 4.4Å; D82-Y130 WeakPolarHBondContact CB-OH 3.49Å; D82-Y130 VanDerWaalsContact CG-OH 3.26Å; D82-Y130 WeakPolarHBondContact OD2-CE2 3.44Å; D82-Y130 PolarHBondContact OD2-OH 2.97Å; D82-P260 HydrophobicContact CB-CG 4.04Å | ||
| 83 | P | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.8 | -26.2 | 176.9 | -20.5 | 27.7 | 0 | 0 | 0 | 114 | F44 Y73 L78 I81 L85 L86 A87 M257 | F44-P83 HydrophobicContact CB-CB 4.44Å; F44-P83 HydrophobicContact CD1-CB 3.73Å; F44-P83 HydrophobicContact CD2-CB 3.42Å; F44-P83 VanDerWaalsContact CD2-CB 3.42Å; F44-P83 HydrophobicContact CD2-CG 4.08Å; F44-P83 HydrophobicContact CE1-CB 3.72Å; F44-P83 HydrophobicContact CE2-CB 3.42Å; F44-P83 VanDerWaalsContact CE2-CB 3.42Å; F44-P83 HydrophobicContact CE2-CG 3.81Å; F44-P83 HydrophobicContact CG-CB 3.59Å; F44-P83 HydrophobicContact CZ-CB 3.57Å; F44-P83 HydrophobicContact CZ-CG 4.17Å; Y73-P83 HydrophobicContact CE2-CB 4.08Å; Y73-P83 HydrophobicContact CE2-CG 4.06Å; Y73-P83 WeakPolarHBondContact OH-CA 3.34Å; Y73-P83 WeakPolarHBondContact OH-CB 3.37Å; Y73-P83 WeakPolarHBondContact OH-CD 3.46Å; Y73-P83 VanDerWaalsContact OH-CG 3.25Å; Y73-P83 WeakPolarHBondContact OH-CG 3.49Å; L78-P83 HydrophobicContact CD2-CG 3.87Å; I81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-L85 VanDerWaalsContact C-N 3.29Å; P83-L85 PolarHBondContact O-N 3.27Å; P83-L86 PolarHBondContact O-N 3.38Å; P83-A87 VanDerWaalsContact O-CB 3.24Å; P83-A87 WeakPolarHBondContact O-CB 2.99Å; P83-A87 PolarHBondContact O-N 3.42Å; P83-M257 HydrophobicContact CG-CE 4.18Å; P83-M257 HydrophobicContact CG-SD 3.94Å |
| 84 | L | 97 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -32 | 174 | -175.5 | 63.5 | 0 | 0 | 0 | 112.6 | F44 L47 D82 P88 L116 Y124 F128 P129 Y130 | F44-L84 HydrophobicContact CE1-CB 4.15Å; L47-L84 HydrophobicContact CD2-CD1 3.73Å; D82-L84 PolarHBondContact O-N 3.29Å; D82-L84 VanDerWaalsContact O-N 3.1Å; D82-L84 WeakPolarHBondContact OD1-CB 3.44Å; D82-L84 PolarHBondContact OD1-N 2.7Å; L84-P88 WeakPolarHBondContact O-CD 3.04Å; L84-L116 HydrophobicContact CD1-CD1 4.14Å; L84-L116 HydrophobicContact CD1-CD2 4Å; L84-L116 HydrophobicContact CD2-CD1 4.41Å; L84-Y124 HydrophobicContact CD1-CE2 4.19Å; L84-Y124 HydrophobicContact CD2-CD1 4.05Å; L84-Y124 HydrophobicContact CD2-CE1 3.68Å; L84-F128 HydrophobicContact CD1-CD2 4.29Å; L84-F128 HydrophobicContact CD1-CE2 4.16Å; L84-F128 HydrophobicContact CD2-CD2 4.44Å; L84-F128 HydrophobicContact CG-CD2 4.21Å; L84-F128 HydrophobicContact CG-CE2 3.95Å; L84-F128 WeakPolarHBondContact O-CE2 3.44Å; L84-P129 HydrophobicContact CD2-CG 4.37Å; L84-Y130 HydrophobicContact CB-CE2 4.24Å; L84-Y130 HydrophobicContact CD2-CE2 4.32Å; L84-Y130 HydrophobicContact CG-CE2 4.3Å |
| 85 | L | 97.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 9% | 0.094 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -81.4 | -41.7 | 171.9 | 174.1 | 58.5 | 0 | 0 | 0 | 111.4 | I81 D82 P83 P88 T89 Y130 H134 I135 A138 | I81-L85 HydrophobicContact CG2-CB 4.38Å; I81-L85 HydrophobicContact CG2-CD2 4.19Å; I81-L85 HydrophobicContact CG2-CG 4.32Å; D82-L85 HydrophobicContact CB-CB 4.41Å; D82-L85 WeakPolarHBondContact O-CA 3.16Å; D82-L85 WeakPolarHBondContact O-CB 3.45Å; D82-L85 PolarHBondContact O-N 3Å; P83-L85 VanDerWaalsContact C-N 3.29Å; P83-L85 PolarHBondContact O-N 3.27Å; L85-P88 VanDerWaalsContact O-CD 3.3Å; L85-P88 WeakPolarHBondContact O-CD 3.16Å; L85-P88 WeakPolarHBondContact O-CG 3.29Å; L85-T89 WeakPolarHBondContact O-CB 3.3Å; L85-T89 PolarHBondContact O-N 2.62Å; L85-T89 PolarHBondContact O-OG1 3.4Å; L85-Y130 HydrophobicContact CB-CD1 4.17Å; L85-Y130 HydrophobicContact CB-CD2 3.74Å; L85-Y130 HydrophobicContact CB-CE1 4.12Å; L85-Y130 HydrophobicContact CB-CE2 3.68Å; L85-Y130 HydrophobicContact CB-CG 4Å; L85-Y130 HydrophobicContact CD1-CD1 4.07Å; L85-Y130 HydrophobicContact CD1-CD2 4.28Å; L85-Y130 HydrophobicContact CD1-CG 3.81Å; L85-Y130 HydrophobicContact CD2-CD1 4.01Å; L85-Y130 HydrophobicContact CD2-CE1 4.06Å; L85-Y130 HydrophobicContact CD2-CG 4.5Å; L85-Y130 HydrophobicContact CG-CD1 4.32Å; L85-Y130 HydrophobicContact CG-CG 4.32Å; L85-H134 HydrophobicContact CD1-CB 3.82Å; L85-H134 HydrophobicContact CD2-CB 3.94Å; L85-I135 HydrophobicContact CD1-CG1 3.83Å; L85-A138 HydrophobicContact CD2-CB 4.06Å; L85-A138 HydrophobicContact CG-CB 4.05Å |
| 86 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | -175.2 | -169.4 | 64.9 | 0 | 0 | 0 | 112.2 | M69 F72 Y73 I81 D82 P83 T89 C90 L142 | M69-L86 HydrophobicContact CG-CD2 4.19Å; F72-L86 HydrophobicContact CB-CD2 3.85Å; F72-L86 HydrophobicContact CD1-CD2 3.38Å; F72-L86 HydrophobicContact CD2-CD2 4.46Å; F72-L86 HydrophobicContact CE1-CD2 4.06Å; F72-L86 HydrophobicContact CG-CD1 4.42Å; F72-L86 HydrophobicContact CG-CD2 3.63Å; Y73-L86 HydrophobicContact CD2-CD2 4.15Å; Y73-L86 HydrophobicContact CE1-CD2 4.21Å; Y73-L86 HydrophobicContact CE2-CD2 3.47Å; Y73-L86 VanDerWaalsContact CE2-CD2 3.47Å; Y73-L86 VanDerWaalsContact CZ-CD2 3.47Å; Y73-L86 WeakPolarHBondContact OH-CD2 3.42Å; I81-L86 HydrophobicContact CD1-CD1 4.45Å; I81-L86 HydrophobicContact CG2-CB 3.97Å; I81-L86 HydrophobicContact CG2-CD1 4.37Å; D82-L86 PolarHBondContact O-N 2.86Å; P83-L86 PolarHBondContact O-N 3.38Å; L86-T89 CarbonylContact O-C 3.55Å; L86-T89 WeakPolarHBondContact O-CA 3.47Å; L86-T89 VanDerWaalsContact O-CB 3.32Å; L86-T89 WeakPolarHBondContact O-CB 3.24Å; L86-T89 PolarHBondContact O-N 2.82Å; L86-T89 VanDerWaalsContact O-N 3.09Å; L86-C90 PolarHBondContact O-N 3.18Å; L86-C90 PolarHBondContact O-SG 3.23Å; L86-C90 VanDerWaalsContact O-SG 3.4Å; L86-L142 HydrophobicContact CD1-CB 4.5Å; L86-L142 HydrophobicContact CD1-CD1 4.43Å; L86-L142 HydrophobicContact CD1-CD2 4.36Å |
| 87 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -52 | -57.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L47 I48 P83 T89 C90 L91 | L47-A87 HydrophobicContact CD2-CB 4.16Å; I48-A87 HydrophobicContact CD1-CB 4.15Å; I48-A87 HydrophobicContact CG1-CB 3.57Å; P83-A87 VanDerWaalsContact O-CB 3.24Å; P83-A87 WeakPolarHBondContact O-CB 2.99Å; P83-A87 PolarHBondContact O-N 3.42Å; A87-T89 VanDerWaalsContact C-N 3.28Å; A87-T89 PolarHBondContact O-N 3.4Å; A87-C90 PolarHBondContact O-N 2.94Å; A87-L91 PolarHBondContact O-N 3.27Å |
| 88 | P | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.5 | -26.6 | 176.1 | 26.5 | -34.1 | 0 | 0 | 0 | 113.3 | L84 L85 L91 F92 L108 C112 F128 | L84-P88 WeakPolarHBondContact O-CD 3.04Å; L85-P88 VanDerWaalsContact O-CD 3.3Å; L85-P88 WeakPolarHBondContact O-CD 3.16Å; L85-P88 WeakPolarHBondContact O-CG 3.29Å; P88-L91 PolarHBondContact O-N 3.21Å; P88-F92 WeakPolarHBondContact O-CB 3.26Å; P88-F92 PolarHBondContact O-N 3.46Å; P88-L108 HydrophobicContact CB-CD1 4.05Å; P88-L108 HydrophobicContact CB-CD2 4.35Å; P88-L108 HydrophobicContact CB-CG 4.3Å; P88-C112 VanDerWaalsContact CB-SG 3.5Å; P88-F128 HydrophobicContact CG-CE2 4.3Å; P88-F128 HydrophobicContact CG-CZ 3.85Å |
| 89 | T | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | L85 L86 A87 L91 F92 L93 A138 E139 L142 | L85-T89 WeakPolarHBondContact O-CB 3.3Å; L85-T89 PolarHBondContact O-N 2.62Å; L85-T89 PolarHBondContact O-OG1 3.4Å; L86-T89 CarbonylContact O-C 3.55Å; L86-T89 WeakPolarHBondContact O-CA 3.47Å; L86-T89 VanDerWaalsContact O-CB 3.32Å; L86-T89 WeakPolarHBondContact O-CB 3.24Å; L86-T89 PolarHBondContact O-N 2.82Å; L86-T89 VanDerWaalsContact O-N 3.09Å; A87-T89 VanDerWaalsContact C-N 3.28Å; A87-T89 PolarHBondContact O-N 3.4Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.09Å; T89-F92 WeakPolarHBondContact O-CB 3.29Å; T89-F92 PolarHBondContact O-N 2.87Å; T89-L93 PolarHBondContact O-N 3.44Å; T89-A138 HydrophobicContact CG2-CB 3.87Å; T89-E139 HydrophobicContact CG2-CB 3.91Å; T89-E139 VanDerWaalsContact CG2-N 3.31Å; T89-L142 HydrophobicContact CG2-CD2 4.22Å |
| 90 | C | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.6 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | A65 M69 L86 A87 L93 A94 L142 | A65-C90 HydrophobicContact CB-CB 4.05Å; A65-C90 VanDerWaalsContact O-CB 3.29Å; A65-C90 WeakPolarHBondContact O-CB 3.49Å; M69-C90 PolarHBondContact N-SG 3.21Å; M69-C90 VanDerWaalsContact N-SG 3.44Å; L86-C90 PolarHBondContact O-N 3.18Å; L86-C90 PolarHBondContact O-SG 3.23Å; L86-C90 VanDerWaalsContact O-SG 3.4Å; A87-C90 PolarHBondContact O-N 2.94Å; C90-L93 PolarHBondContact O-N 3.01Å; C90-A94 WeakPolarHBondContact O-CB 3.37Å; C90-A94 PolarHBondContact O-N 3.28Å; C90-L142 HydrophobicContact CB-CD2 4.43Å |
| 91 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 178.3 | -169.1 | 67.9 | 0 | 0 | 0 | 112.2 | I48 I51 L55 V57 V61 I62 A65 A87 P88 T89 S95 I103 | I48-L91 HydrophobicContact CG2-CD1 4.17Å; I51-L91 HydrophobicContact CB-CD2 4.03Å; I51-L91 HydrophobicContact CG2-CD2 3.51Å; L55-L91 HydrophobicContact CD1-CD2 3.99Å; V57-L91 HydrophobicContact CG2-CD1 4.14Å; V61-L91 HydrophobicContact CG1-CD1 4.36Å; I62-L91 HydrophobicContact CG1-CD1 4.33Å; A65-L91 HydrophobicContact CB-CB 4.17Å; A65-L91 HydrophobicContact CB-CD1 3.96Å; A87-L91 PolarHBondContact O-N 3.27Å; P88-L91 PolarHBondContact O-N 3.21Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.09Å; L91-S95 WeakPolarHBondContact O-CB 3.2Å; L91-S95 PolarHBondContact O-N 3.32Å; L91-I103 HydrophobicContact CG-CD1 4.5Å |
| 92 | F | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -50.6 | 175.2 | -176.3 | -123.2 | 0 | 0 | 0 | 111.3 | P88 T89 S95 I103 Q105 L108 I135 L136 E139 | P88-F92 WeakPolarHBondContact O-CB 3.26Å; P88-F92 PolarHBondContact O-N 3.46Å; T89-F92 WeakPolarHBondContact O-CB 3.29Å; T89-F92 PolarHBondContact O-N 2.87Å; F92-S95 PolarHBondContact O-N 3.48Å; F92-S95 PolarHBondContact O-OG 2.9Å; F92-I103 HydrophobicContact CD2-CB 4.44Å; F92-I103 WeakPolarHBondContact CE2-O 3.41Å; F92-Q105 HydrophobicContact CE2-CG 4.02Å; F92-Q105 HydrophobicContact CZ-CG 3.89Å; F92-L108 HydrophobicContact CB-CD2 3.8Å; F92-L108 HydrophobicContact CD2-CD2 4.16Å; F92-L108 HydrophobicContact CG-CD2 4.16Å; F92-I135 HydrophobicContact CD1-CG2 4.13Å; F92-L136 HydrophobicContact CE1-CD2 4.06Å; F92-E139 WeakPolarHBondContact CE1-OE2 3.4Å |
| 93 | L | 96.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 178.3 | 178.9 | 59 | 0 | 0 | 0 | 111.8 | Y68 T89 C90 S95 K96 V97 L142 L143 M146 L150 | Y68-L93 HydrophobicContact CD2-CB 4.48Å; Y68-L93 HydrophobicContact CD2-CD2 4.09Å; Y68-L93 HydrophobicContact CD2-CG 4.26Å; Y68-L93 HydrophobicContact CE2-CB 4.37Å; Y68-L93 HydrophobicContact CE2-CD2 3.96Å; Y68-L93 HydrophobicContact CE2-CG 3.83Å; T89-L93 PolarHBondContact O-N 3.44Å; C90-L93 PolarHBondContact O-N 3.01Å; L93-S95 VanDerWaalsContact C-N 3.25Å; L93-S95 PolarHBondContact O-N 3.44Å; L93-K96 WeakPolarHBondContact O-CB 3.46Å; L93-K96 PolarHBondContact O-N 2.95Å; L93-K96 VanDerWaalsContact O-N 3.07Å; L93-V97 HydrophobicContact CD1-CG2 4.22Å; L93-V97 HydrophobicContact CG-CG2 4.46Å; L93-V97 WeakPolarHBondContact O-CG2 3.11Å; L93-V97 PolarHBondContact O-N 2.96Å; L93-V97 VanDerWaalsContact O-N 3.13Å; L93-L142 HydrophobicContact CD2-CD2 3.75Å; L93-L142 HydrophobicContact CD2-CG 4Å; L93-L143 HydrophobicContact CD1-CD2 3.92Å; L93-L143 HydrophobicContact CD1-CG 4.5Å; L93-L143 HydrophobicContact CD2-CD2 3.92Å; L93-L143 HydrophobicContact CD2-CG 4.28Å; L93-M146 HydrophobicContact CD2-CE 3.93Å; L93-L150 HydrophobicContact CD2-CD2 4.05Å |
| 94 | A | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V61 T64 A65 Y68 C90 K96 V97 E98 | V61-A94 HydrophobicContact CG1-CB 4.01Å; V61-A94 WeakPolarHBondContact O-CB 3.47Å; T64-A94 HydrophobicContact CG2-CB 3.71Å; A65-A94 HydrophobicContact CB-CB 3.91Å; Y68-A94 HydrophobicContact CD2-CB 4.29Å; Y68-A94 HydrophobicContact CE2-CB 4.06Å; C90-A94 WeakPolarHBondContact O-CB 3.37Å; C90-A94 PolarHBondContact O-N 3.28Å; A94-K96 PolarHBondContact O-N 3.11Å; A94-V97 PolarHBondContact O-N 3.31Å; A94-E98 VanDerWaalsContact O-CB 3.31Å; A94-E98 WeakPolarHBondContact O-CB 3.46Å; A94-E98 WeakPolarHBondContact O-CG 3.41Å; A94-E98 PolarHBondContact O-N 2.62Å |
| 95 | S | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -31.3 | 178.9 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | L91 F92 L93 F100 I103 | L91-S95 WeakPolarHBondContact O-CB 3.2Å; L91-S95 PolarHBondContact O-N 3.32Å; F92-S95 PolarHBondContact O-N 3.48Å; F92-S95 PolarHBondContact O-OG 2.9Å; L93-S95 VanDerWaalsContact C-N 3.25Å; L93-S95 PolarHBondContact O-N 3.44Å; S95-F100 PolarHBondContact O-N 2.83Å; S95-I103 WeakPolarHBondContact OG-CD1 3.29Å; S95-I103 WeakPolarHBondContact OG-CG1 3.47Å |
| 96 | K | 94.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 38.2 Ų | 38.2 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.4 | -46.5 | 175.1 | -59.9 | 173.6 | -172.2 | 172.5 | 0 | 110.7 | L93 A94 E99 E139 | L93-K96 WeakPolarHBondContact O-CB 3.46Å; L93-K96 PolarHBondContact O-N 2.95Å; L93-K96 VanDerWaalsContact O-N 3.07Å; A94-K96 PolarHBondContact O-N 3.11Å; K96-E99 PolarHBondContact O-N 3.41Å; K96-E139 IonicContact NZ-OE1 3.52Å; K96-E139 PolarHBondContact NZ-OE1 3Å; K96-E139 IonicContact NZ-OE2 2.7Å; K96-E139 PolarHBondContact NZ-OE2 3.34Å |
| 97 | V | 94.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -41.3 | -175.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | Y68 L93 A94 E99 L150 | Y68-V97 WeakPolarHBondContact OH-CG1 3.38Å; L93-V97 HydrophobicContact CD1-CG2 4.22Å; L93-V97 HydrophobicContact CG-CG2 4.46Å; L93-V97 WeakPolarHBondContact O-CG2 3.11Å; L93-V97 PolarHBondContact O-N 2.96Å; L93-V97 VanDerWaalsContact O-N 3.13Å; A94-V97 PolarHBondContact O-N 3.31Å; V97-E99 PolarHBondContact O-N 3.26Å; V97-L150 HydrophobicContact CG1-CB 3.94Å; V97-L150 HydrophobicContact CG2-CB 3.9Å; V97-L150 HydrophobicContact CG2-CD1 3.69Å; V97-L150 HydrophobicContact CG2-CG 4.24Å |
| 98 | E | 94.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 10 | -179.7 | -69.9 | -63.9 | 140.8 | 0 | 0 | 113.2 | Q60 V61 T64 A94 F100 | Q60-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q60-E98 PolarHBondContact NE2-OE2 3.15Å; V61-E98 HydrophobicContact CG2-CB 3.88Å; V61-E98 HydrophobicContact CG2-CG 4.43Å; T64-E98 HydrophobicContact CG2-CG 4.2Å; T64-E98 WeakPolarHBondContact OG1-CG 3.37Å; T64-E98 PolarHBondContact OG1-OE1 3.47Å; A94-E98 VanDerWaalsContact O-CB 3.31Å; A94-E98 WeakPolarHBondContact O-CB 3.46Å; A94-E98 WeakPolarHBondContact O-CG 3.41Å; A94-E98 PolarHBondContact O-N 2.62Å; E98-F100 PolarHBondContact O-N 2.9Å |
| 99 | E | 87.8 | Confident | 91.1 | Very high | 181 Ų | 181 | 45.5 Ų | 45.5 | 85% | 0.846 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 26 | 178.3 | -59.6 | -179 | -173.6 | 0 | 0 | 113.7 | K96 V97 G101 | K96-E99 PolarHBondContact O-N 3.41Å; V97-E99 PolarHBondContact O-N 3.26Å; E99-G101 PolarHBondContact O-N 3Å |
| 100 | F | 78.2 | Confident | 91 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69.1 | -26.9 | 177.4 | 178.8 | -100.3 | 0 | 0 | 0 | 111.7 | K56 V57 R58 V61 S95 E98 | K56-F100 WeakPolarHBondContact O-CZ 3.41Å; V57-F100 HydrophobicContact CB-CD1 4.19Å; V57-F100 HydrophobicContact CB-CE1 3.99Å; V57-F100 HydrophobicContact CB-CZ 4.25Å; V57-F100 HydrophobicContact CG1-CD1 3.99Å; V57-F100 HydrophobicContact CG1-CE1 3.7Å; V57-F100 HydrophobicContact CG1-CZ 4.36Å; R58-F100 HydrophobicContact CB-CD2 4.34Å; R58-F100 HydrophobicContact CG-CD2 3.75Å; R58-F100 HydrophobicContact CG-CE2 3.78Å; V61-F100 HydrophobicContact CG2-CB 3.74Å; V61-F100 HydrophobicContact CG2-CD2 4.44Å; V61-F100 HydrophobicContact CG2-CG 4.12Å; S95-F100 PolarHBondContact O-N 2.83Å; E98-F100 PolarHBondContact O-N 2.9Å |
| 101 | G | 77.7 | Confident | 90.9 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | trans | 118.5 | 157.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E99 I103 | E99-G101 PolarHBondContact O-N 3Å; G101-I103 PolarHBondContact O-N 3.19Å | ||
| 102 | V | 74.8 | Confident | 90.9 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | trans | -72.3 | 113 | -176.2 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | S104 | V102-S104 PolarHBondContact O-N 3Š| ||
| 103 | I | 84.2 | Confident | 90.9 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | trans | -62.8 | 125.3 | 168.3 | -63.6 | 170.3 | 0 | 0 | 0 | 107.9 | L55 V57 L91 F92 S95 G101 Q105 L108 | L55-I103 HydrophobicContact CD1-CD1 4.09Å; L55-I103 HydrophobicContact CD1-CG2 3.99Å; L55-I103 HydrophobicContact CD2-CG2 4.47Å; V57-I103 HydrophobicContact CG1-CD1 3.87Å; V57-I103 HydrophobicContact CG1-CG1 4.33Å; L91-I103 HydrophobicContact CG-CD1 4.5Å; F92-I103 HydrophobicContact CD2-CB 4.44Å; F92-I103 WeakPolarHBondContact CE2-O 3.41Å; S95-I103 WeakPolarHBondContact OG-CD1 3.29Å; S95-I103 WeakPolarHBondContact OG-CG1 3.47Å; G101-I103 PolarHBondContact O-N 3.19Å; I103-Q105 PolarHBondContact O-N 3.35Å; I103-L108 HydrophobicContact CG2-CB 4.03Å | ||
| 104 | S | 86.6 | Confident | 91 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | trans | -59.4 | 127.1 | 172.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | V102 S106 K107 L108 | V102-S104 PolarHBondContact O-N 3Å; S104-S106 VanDerWaalsContact C-N 3.32Å; S104-S106 PolarHBondContact O-N 3.44Å; S104-S106 PolarHBondContact OG-OG 2.88Å; S104-S106 VanDerWaalsContact OG-OG 3.09Å; S104-K107 WeakPolarHBondContact O-CB 3.48Å; S104-K107 PolarHBondContact O-N 2.78Å; S104-K107 VanDerWaalsContact O-N 3.11Å; S104-L108 PolarHBondContact O-N 2.87Å | ||
| 105 | Q | 86.6 | Confident | 90.9 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | -179 | -72.5 | 168.4 | -10.6 | 0 | 0 | 112.9 | F92 I103 L108 L109 L132 | F92-Q105 HydrophobicContact CE2-CG 4.02Å; F92-Q105 HydrophobicContact CZ-CG 3.89Å; I103-Q105 PolarHBondContact O-N 3.35Å; Q105-L108 PolarHBondContact O-N 3.32Å; Q105-L109 PolarHBondContact O-N 3.2Å; Q105-L132 HydrophobicContact CB-CD1 3.62Å; Q105-L132 HydrophobicContact CB-CD2 4.07Å; Q105-L132 HydrophobicContact CB-CG 4.46Å; Q105-L132 HydrophobicContact CG-CD1 3.58Å; Q105-L132 HydrophobicContact CG-CD2 4.36Å |
| 106 | S | 88.1 | Confident | 91 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | S104 L108 L109 T110 | S104-S106 VanDerWaalsContact C-N 3.32Å; S104-S106 PolarHBondContact O-N 3.44Å; S104-S106 PolarHBondContact OG-OG 2.88Å; S104-S106 VanDerWaalsContact OG-OG 3.09Å; S106-L108 VanDerWaalsContact C-N 3.35Å; S106-L108 PolarHBondContact O-N 3.14Å; S106-L109 PolarHBondContact O-N 3.23Å; S106-T110 PolarHBondContact O-N 3.04Å; S106-T110 PolarHBondContact O-OG1 3.12Å; S106-T110 VanDerWaalsContact O-OG1 3.06Å |
| 107 | K | 93.9 | Very high | 91 | Very high | 113 Ų | 113 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.1 | -169 | -179.3 | 178.9 | -175.7 | 0 | 111.6 | L55 S104 T110 T111 | L55-K107 HydrophobicContact CD2-CD 4.09Å; L55-K107 HydrophobicContact CD2-CG 3.85Å; S104-K107 WeakPolarHBondContact O-CB 3.48Å; S104-K107 PolarHBondContact O-N 2.78Å; S104-K107 VanDerWaalsContact O-N 3.11Å; K107-T110 PolarHBondContact O-N 3.46Å; K107-T111 WeakPolarHBondContact O-CB 3.42Å; K107-T111 PolarHBondContact O-N 3.3Å; K107-T111 PolarHBondContact O-OG1 2.97Å; K107-T111 VanDerWaalsContact O-OG1 3.06Å |
| 108 | L | 95.8 | Very high | 91 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.2 | -52.4 | 176 | 179.3 | 62.6 | 0 | 0 | 0 | 111 | I51 L55 P88 F92 I103 S104 Q105 S106 T110 T111 C112 I135 | I51-L108 HydrophobicContact CG2-CD1 4.11Å; L55-L108 HydrophobicContact CD1-CD1 3.75Å; P88-L108 HydrophobicContact CB-CD1 4.05Å; P88-L108 HydrophobicContact CB-CD2 4.35Å; P88-L108 HydrophobicContact CB-CG 4.3Å; F92-L108 HydrophobicContact CB-CD2 3.8Å; F92-L108 HydrophobicContact CD2-CD2 4.16Å; F92-L108 HydrophobicContact CG-CD2 4.16Å; I103-L108 HydrophobicContact CG2-CB 4.03Å; S104-L108 PolarHBondContact O-N 2.87Å; Q105-L108 PolarHBondContact O-N 3.32Å; S106-L108 VanDerWaalsContact C-N 3.35Å; S106-L108 PolarHBondContact O-N 3.14Å; L108-T110 PolarHBondContact O-N 3.33Å; L108-T111 PolarHBondContact O-N 2.97Å; L108-C112 PolarHBondContact O-N 3.29Å; L108-C112 PolarHBondContact O-SG 2.87Å; L108-I135 HydrophobicContact CD2-CD1 3.97Å |
| 109 | L | 95.8 | Very high | 91 | Very high | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | -179.8 | -67.1 | 177.1 | 0 | 0 | 0 | 112.5 | Q105 S106 T111 C112 Q113 F128 Y130 L132 I135 | Q105-L109 PolarHBondContact O-N 3.2Å; S106-L109 PolarHBondContact O-N 3.23Å; L109-T111 VanDerWaalsContact C-N 3.27Å; L109-T111 PolarHBondContact O-N 3.06Å; L109-C112 PolarHBondContact O-N 2.7Å; L109-Q113 WeakPolarHBondContact O-CB 3.33Å; L109-Q113 PolarHBondContact O-N 2.95Å; L109-F128 HydrophobicContact CD2-CD1 4.17Å; L109-F128 HydrophobicContact CD2-CE1 3.68Å; L109-Y130 WeakPolarHBondContact CD2-O 3.21Å; L109-L132 HydrophobicContact CD1-CB 4.09Å; L109-I135 HydrophobicContact CD2-CD1 3.55Å; L109-I135 HydrophobicContact CG-CD1 4.45Å |
| 110 | T | 96 | Very high | 91.4 | Very high | 97 Ų | 97 | 59 Ų | 59 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.5 | S106 K107 L108 S114 | S106-T110 PolarHBondContact O-N 3.04Å; S106-T110 PolarHBondContact O-OG1 3.12Å; S106-T110 VanDerWaalsContact O-OG1 3.06Å; K107-T110 PolarHBondContact O-N 3.46Å; L108-T110 PolarHBondContact O-N 3.33Å; T110-S114 WeakPolarHBondContact O-CB 3.29Å; T110-S114 PolarHBondContact O-N 3.39Å |
| 111 | T | 97.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 175.7 | -63 | 0 | 0 | 0 | 0 | 112.2 | I51 Q54 L55 K107 L108 L109 Q113 S114 V115 | I51-T111 HydrophobicContact CG2-CG2 4.1Å; Q54-T111 HydrophobicContact CB-CG2 3.69Å; Q54-T111 HydrophobicContact CG-CG2 3.67Å; L55-T111 HydrophobicContact CD2-CG2 4.13Å; L55-T111 VanDerWaalsContact CD2-OG1 3.28Å; L55-T111 WeakPolarHBondContact CD2-OG1 3.38Å; L55-T111 HydrophobicContact CG-CG2 3.94Å; K107-T111 WeakPolarHBondContact O-CB 3.42Å; K107-T111 PolarHBondContact O-N 3.3Å; K107-T111 PolarHBondContact O-OG1 2.97Å; K107-T111 VanDerWaalsContact O-OG1 3.06Å; L108-T111 PolarHBondContact O-N 2.97Å; L109-T111 VanDerWaalsContact C-N 3.27Å; L109-T111 PolarHBondContact O-N 3.06Å; T111-Q113 VanDerWaalsContact C-N 3.3Å; T111-Q113 PolarHBondContact O-N 2.89Å; T111-S114 PolarHBondContact O-N 3.18Å; T111-S114 VanDerWaalsContact O-N 3.14Å; T111-V115 HydrophobicContact CG2-CG2 4.1Å; T111-V115 WeakPolarHBondContact O-CG2 3.41Å; T111-V115 PolarHBondContact O-N 3.37Å |
| 112 | C | 97.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54 | -49.4 | 173.1 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | P88 L108 L109 S114 V115 L116 F128 | P88-C112 VanDerWaalsContact CB-SG 3.5Å; L108-C112 PolarHBondContact O-N 3.29Å; L108-C112 PolarHBondContact O-SG 2.87Å; L109-C112 PolarHBondContact O-N 2.7Å; C112-S114 PolarHBondContact O-N 3.34Å; C112-V115 PolarHBondContact O-N 3.14Å; C112-L116 WeakPolarHBondContact O-CG 3.5Å; C112-L116 PolarHBondContact O-N 3.25Å; C112-F128 HydrophobicContact CB-CD1 4.1Å; C112-F128 HydrophobicContact CB-CD2 3.91Å; C112-F128 HydrophobicContact CB-CE1 4.18Å; C112-F128 HydrophobicContact CB-CE2 4.01Å; C112-F128 HydrophobicContact CB-CG 3.96Å; C112-F128 HydrophobicContact CB-CZ 4.15Å |
| 113 | Q | 96.5 | Very high | 93.7 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 176.3 | -179 | 60.8 | 47.8 | 0 | 0 | 112.2 | L109 T111 R117 D127 F128 | L109-Q113 WeakPolarHBondContact O-CB 3.33Å; L109-Q113 PolarHBondContact O-N 2.95Å; T111-Q113 VanDerWaalsContact C-N 3.3Å; T111-Q113 PolarHBondContact O-N 2.89Å; Q113-R117 WeakPolarHBondContact O-CB 3.28Å; Q113-R117 PolarHBondContact O-N 2.92Å; Q113-D127 PolarHBondContact NE2-OD1 3.35Å; Q113-F128 HydrophobicContact CB-CB 4.45Å |
| 114 | S | 96.9 | Very high | 94 | Very high | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | Q54 T110 T111 C112 R117 V118 | Q54-S114 PolarHBondContact NE2-OG 3.44Å; T110-S114 WeakPolarHBondContact O-CB 3.29Å; T110-S114 PolarHBondContact O-N 3.39Å; T111-S114 PolarHBondContact O-N 3.18Å; T111-S114 VanDerWaalsContact O-N 3.14Å; C112-S114 PolarHBondContact O-N 3.34Å; S114-R117 PolarHBondContact O-N 3.43Å; S114-V118 WeakPolarHBondContact O-CB 3.3Å; S114-V118 VanDerWaalsContact O-CG2 3.28Å; S114-V118 WeakPolarHBondContact O-CG2 3.4Å; S114-V118 PolarHBondContact O-N 2.83Å |
| 115 | V | 97.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | -179.6 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L47 A50 I51 Q54 T111 C112 R117 V118 R119 Y120 | L47-V115 HydrophobicContact CD1-CG1 3.77Å; A50-V115 HydrophobicContact CB-CG1 3.74Å; I51-V115 HydrophobicContact CG1-CB 4.16Å; I51-V115 HydrophobicContact CG1-CG1 4.19Å; I51-V115 HydrophobicContact CG1-CG2 4Å; Q54-V115 HydrophobicContact CB-CG2 4.38Å; T111-V115 HydrophobicContact CG2-CG2 4.1Å; T111-V115 WeakPolarHBondContact O-CG2 3.41Å; T111-V115 PolarHBondContact O-N 3.37Å; C112-V115 PolarHBondContact O-N 3.14Å; V115-R117 PolarHBondContact O-N 3.06Å; V115-V118 PolarHBondContact O-N 2.98Å; V115-R119 WeakPolarHBondContact O-CB 3.33Å; V115-R119 PolarHBondContact O-N 3.5Å; V115-Y120 HydrophobicContact CG1-CD2 3.82Å; V115-Y120 HydrophobicContact CG1-CE2 3.77Å; V115-Y120 PolarHBondContact O-N 2.67Å |
| 116 | L | 96.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 175.9 | -74.1 | -168.5 | 0 | 0 | 0 | 111.5 | L47 L84 C112 V118 Y120 Q121 Y124 F128 | L47-L116 HydrophobicContact CD1-CD2 4.11Å; L84-L116 HydrophobicContact CD1-CD1 4.14Å; L84-L116 HydrophobicContact CD1-CD2 4Å; L84-L116 HydrophobicContact CD2-CD1 4.41Å; C112-L116 WeakPolarHBondContact O-CG 3.5Å; C112-L116 PolarHBondContact O-N 3.25Å; L116-V118 PolarHBondContact O-N 3.38Å; L116-Y120 CarbonylContact O-C 3.46Å; L116-Y120 WeakPolarHBondContact O-CA 3.4Å; L116-Y120 PolarHBondContact O-N 3.38Å; L116-Q121 PolarHBondContact O-N 3.34Å; L116-Y124 HydrophobicContact CD2-CD2 3.68Å; L116-Y124 HydrophobicContact CD2-CE2 4.26Å; L116-Y124 HydrophobicContact CD2-CG 4.2Å; L116-F128 HydrophobicContact CD1-CB 3.96Å; L116-F128 HydrophobicContact CD1-CD2 3.81Å; L116-F128 HydrophobicContact CD1-CG 4.39Å |
| 117 | R | 95.1 | Very high | 94 | Very high | 178 Ų | 178 | 67.1 Ų | 67.1 | 67% | 0.672 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | -178.1 | -169.8 | 178 | -174.7 | 166 | 3.5 | 113.4 | Q113 S114 V115 Q121 | Q113-R117 WeakPolarHBondContact O-CB 3.28Å; Q113-R117 PolarHBondContact O-N 2.92Å; S114-R117 PolarHBondContact O-N 3.43Å; V115-R117 PolarHBondContact O-N 3.06Å; R117-Q121 WeakPolarHBondContact O-CB 3.43Å |
| 118 | V | 94.7 | Very high | 94 | Very high | 116 Ų | 116 | 62.8 Ų | 62.8 | 70% | 0.703 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -86.5 | -41.9 | -173.6 | 175.9 | 0 | 0 | 0 | 0 | 112 | S114 V115 L116 | S114-V118 WeakPolarHBondContact O-CB 3.3Å; S114-V118 VanDerWaalsContact O-CG2 3.28Å; S114-V118 WeakPolarHBondContact O-CG2 3.4Å; S114-V118 PolarHBondContact O-N 2.83Å; V115-V118 PolarHBondContact O-N 2.98Å; L116-V118 PolarHBondContact O-N 3.38Å |
| 119 | R | 94.9 | Very high | 93.9 | Very high | 122 Ų | 122 | 66.7 Ų | 66.7 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -104.5 | -31.3 | -171 | -168.8 | 170.4 | 177.2 | 161.6 | -3.7 | 113.3 | V115 | V115-R119 WeakPolarHBondContact O-CB 3.33Å; V115-R119 PolarHBondContact O-N 3.5Å |
| 120 | Y | 95.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -123.3 | 19.8 | -169.6 | -59.5 | -71.1 | 0 | 0 | 0 | 114.7 | F43 N46 L47 A50 V115 L116 N122 V123 Y124 | F43-Y120 HydrophobicContact CD2-CD1 4.5Å; F43-Y120 HydrophobicContact CD2-CE1 4.2Å; F43-Y120 AromaticContact CE2-CD1 3.46Å; F43-Y120 HydrophobicContact CE2-CD1 3.46Å; F43-Y120 VanDerWaalsContact CE2-CD1 3.46Å; F43-Y120 AromaticContact CE2-CE1 3.55Å; F43-Y120 HydrophobicContact CE2-CE1 3.55Å; F43-Y120 HydrophobicContact CE2-CG 4.35Å; F43-Y120 AromaticContact CZ-CD1 3.83Å; F43-Y120 HydrophobicContact CZ-CD1 3.83Å; F43-Y120 HydrophobicContact CZ-CE1 4.15Å; F43-Y120 HydrophobicContact CZ-CG 4.3Å; N46-Y120 PolarHBondContact O-OH 2.84Å; L47-Y120 HydrophobicContact CD1-CD2 3.8Å; L47-Y120 HydrophobicContact CD1-CE2 3.71Å; A50-Y120 HydrophobicContact CB-CE2 4.3Å; V115-Y120 HydrophobicContact CG1-CD2 3.82Å; V115-Y120 HydrophobicContact CG1-CE2 3.77Å; V115-Y120 PolarHBondContact O-N 2.67Å; L116-Y120 CarbonylContact O-C 3.46Å; L116-Y120 WeakPolarHBondContact O-CA 3.4Å; L116-Y120 PolarHBondContact O-N 3.38Å; Y120-N122 PolarHBondContact O-N 3.25Å; Y120-N122 VanDerWaalsContact O-N 3.09Å; Y120-V123 PolarHBondContact O-N 2.93Å; Y120-Y124 PolarHBondContact O-N 3.46Å |
| 121 | Q | 93.1 | Very high | 93.8 | Very high | 118 Ų | 118 | 70.9 Ų | 70.9 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28 | 179.8 | 61.9 | 176 | 9.6 | 0 | 0 | 114 | L116 R117 V123 Y124 | L116-Q121 PolarHBondContact O-N 3.34Å; R117-Q121 WeakPolarHBondContact O-CB 3.43Å; Q121-V123 VanDerWaalsContact C-N 3.28Å; Q121-Y124 WeakPolarHBondContact CA-O 3.38Å; Q121-Y124 CarbonylContact O-C 3.48Å |
| 122 | N | 90.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.9 | 178.1 | -64.1 | -13.6 | 0 | 0 | 0 | 112.5 | Y120 K247 | Y120-N122 PolarHBondContact O-N 3.25Å; Y120-N122 VanDerWaalsContact O-N 3.09Å; N122-K247 HydrophobicContact CB-CB 4.38Å; N122-K247 HydrophobicContact CB-CG 4.4Å |
| 123 | V | 94.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -43.6 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | F43 Y120 Q121 M250 L254 | F43-V123 HydrophobicContact CE2-CB 4.44Å; F43-V123 HydrophobicContact CE2-CG1 4.19Å; F43-V123 HydrophobicContact CE2-CG2 4.1Å; F43-V123 HydrophobicContact CZ-CB 4.29Å; F43-V123 HydrophobicContact CZ-CG1 3.83Å; F43-V123 HydrophobicContact CZ-CG2 4.45Å; Y120-V123 PolarHBondContact O-N 2.93Å; Q121-V123 VanDerWaalsContact C-N 3.28Å; V123-M250 HydrophobicContact CB-CB 4.48Å; V123-M250 HydrophobicContact CG1-CB 3.66Å; V123-M250 HydrophobicContact CG2-CB 3.95Å; V123-L254 HydrophobicContact CG1-CD1 3.48Å; V123-L254 VanDerWaalsContact CG1-CD1 3.48Å |
| 124 | Y | 91.8 | Very high | 93.4 | Very high | 39 Ų | 39 | 76.5 Ų | 76.5 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | trans | -116.5 | 102.1 | 176.2 | -66.7 | -78.9 | 0 | 0 | 0 | 109.9 | F43 F44 L84 L116 Y120 Q121 Q126 L254 | F43-Y124 AromaticContact CE1-CE2 3.83Å; F43-Y124 HydrophobicContact CE1-CE2 3.83Å; F43-Y124 HydrophobicContact CZ-CD2 4.43Å; F43-Y124 AromaticContact CZ-CE2 3.82Å; F43-Y124 HydrophobicContact CZ-CE2 3.82Å; F44-Y124 WeakPolarHBondContact CE1-OH 3.47Å; F44-Y124 VanDerWaalsContact CZ-OH 3.26Å; F44-Y124 WeakPolarHBondContact CZ-OH 3.4Å; L84-Y124 HydrophobicContact CD1-CE2 4.19Å; L84-Y124 HydrophobicContact CD2-CD1 4.05Å; L84-Y124 HydrophobicContact CD2-CE1 3.68Å; L116-Y124 HydrophobicContact CD2-CD2 3.68Å; L116-Y124 HydrophobicContact CD2-CE2 4.26Å; L116-Y124 HydrophobicContact CD2-CG 4.2Å; Y120-Y124 PolarHBondContact O-N 3.46Å; Q121-Y124 WeakPolarHBondContact CA-O 3.38Å; Q121-Y124 CarbonylContact O-C 3.48Å; Y124-Q126 VanDerWaalsContact C-N 3.28Å; Y124-L254 HydrophobicContact CE1-CD1 3.87Å; Y124-L254 HydrophobicContact CE2-CD1 4.16Å | ||
| 125 | A | 84.6 | Confident | 93.3 | Very high | 96 Ų | 96 | 74.7 Ų | 74.7 | 79% | 0.793 | 37% | 0.368 | S | S | * | . | trans | -76.7 | -18.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 126 | Q | 87 | Confident | 93.2 | Very high | 159 Ų | 159 | 77.8 Ų | 77.8 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -98.9 | 157.9 | -178.6 | -60.9 | -65.1 | -11.1 | 0 | 0 | 110.9 | Y124 | Y124-Q126 VanDerWaalsContact C-N 3.28Š|
| 127 | D | 90 | Very high | 93.2 | Very high | 108 Ų | 108 | 82.8 Ų | 82.8 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | trans | -62 | 158.4 | 172.5 | -72.4 | -25.3 | 0 | 0 | 0 | 111.8 | Q113 P129 | Q113-D127 PolarHBondContact NE2-OD1 3.35Å; D127-P129 VanDerWaalsContact O-CD 3.24Å; D127-P129 WeakPolarHBondContact O-CD 3.43Å | ||
| 128 | F | 93.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 10% | 0.096 | 38% | 0.377 | C | S | . | . | trans | -58.3 | 111.3 | 176.6 | -174.4 | -105.5 | 0 | 0 | 0 | 109.1 | L84 P88 L109 C112 Q113 L116 Y130 | L84-F128 HydrophobicContact CD1-CD2 4.29Å; L84-F128 HydrophobicContact CD1-CE2 4.16Å; L84-F128 HydrophobicContact CD2-CD2 4.44Å; L84-F128 HydrophobicContact CG-CD2 4.21Å; L84-F128 HydrophobicContact CG-CE2 3.95Å; L84-F128 WeakPolarHBondContact O-CE2 3.44Å; P88-F128 HydrophobicContact CG-CE2 4.3Å; P88-F128 HydrophobicContact CG-CZ 3.85Å; L109-F128 HydrophobicContact CD2-CD1 4.17Å; L109-F128 HydrophobicContact CD2-CE1 3.68Å; C112-F128 HydrophobicContact CB-CD1 4.1Å; C112-F128 HydrophobicContact CB-CD2 3.91Å; C112-F128 HydrophobicContact CB-CE1 4.18Å; C112-F128 HydrophobicContact CB-CE2 4.01Å; C112-F128 HydrophobicContact CB-CG 3.96Å; C112-F128 HydrophobicContact CB-CZ 4.15Å; Q113-F128 HydrophobicContact CB-CB 4.45Å; L116-F128 HydrophobicContact CD1-CB 3.96Å; L116-F128 HydrophobicContact CD1-CD2 3.81Å; L116-F128 HydrophobicContact CD1-CG 4.39Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 VanDerWaalsContact CD1-O 3.29Å; F128-Y130 WeakPolarHBondContact CD1-O 3.4Å; F128-Y130 HydrophobicContact CE1-CD2 4.5Å; F128-Y130 VanDerWaalsContact CE1-O 3.23Å; F128-Y130 WeakPolarHBondContact CE1-O 3.5Å; F128-Y130 HydrophobicContact CE2-CD2 4.17Å; F128-Y130 HydrophobicContact CZ-CD2 4.01Å; F128-Y130 HydrophobicContact CZ-CG 4.44Å; F128-Y130 PolarHBondContact O-N 2.95Å | ||
| 129 | P | 94 | Very high | 93.4 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | trans | -81.2 | -11.1 | -164.3 | 31.8 | -35.4 | 0 | 0 | 0 | 112.8 | L84 D127 | L84-P129 HydrophobicContact CD2-CG 4.37Å; D127-P129 VanDerWaalsContact O-CD 3.24Å; D127-P129 WeakPolarHBondContact O-CD 3.43Å | ||
| 130 | Y | 95.5 | Very high | 93.4 | Very high | 52 Ų | 52 | 70.7 Ų | 70.7 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | trans | -94.5 | 131.4 | -172.3 | -59.2 | -70.6 | 0 | 0 | 0 | 112.3 | D82 L84 L85 L109 F128 H134 | D82-Y130 HydrophobicContact CB-CE2 4.4Å; D82-Y130 WeakPolarHBondContact CB-OH 3.49Å; D82-Y130 VanDerWaalsContact CG-OH 3.26Å; D82-Y130 WeakPolarHBondContact OD2-CE2 3.44Å; D82-Y130 PolarHBondContact OD2-OH 2.97Å; L84-Y130 HydrophobicContact CB-CE2 4.24Å; L84-Y130 HydrophobicContact CD2-CE2 4.32Å; L84-Y130 HydrophobicContact CG-CE2 4.3Å; L85-Y130 HydrophobicContact CB-CD1 4.17Å; L85-Y130 HydrophobicContact CB-CD2 3.74Å; L85-Y130 HydrophobicContact CB-CE1 4.12Å; L85-Y130 HydrophobicContact CB-CE2 3.68Å; L85-Y130 HydrophobicContact CB-CG 4Å; L85-Y130 HydrophobicContact CD1-CD1 4.07Å; L85-Y130 HydrophobicContact CD1-CD2 4.28Å; L85-Y130 HydrophobicContact CD1-CG 3.81Å; L85-Y130 HydrophobicContact CD2-CD1 4.01Å; L85-Y130 HydrophobicContact CD2-CE1 4.06Å; L85-Y130 HydrophobicContact CD2-CG 4.5Å; L85-Y130 HydrophobicContact CG-CD1 4.32Å; L85-Y130 HydrophobicContact CG-CG 4.32Å; L109-Y130 WeakPolarHBondContact CD2-O 3.21Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 VanDerWaalsContact CD1-O 3.29Å; F128-Y130 WeakPolarHBondContact CD1-O 3.4Å; F128-Y130 HydrophobicContact CE1-CD2 4.5Å; F128-Y130 VanDerWaalsContact CE1-O 3.23Å; F128-Y130 WeakPolarHBondContact CE1-O 3.5Å; F128-Y130 HydrophobicContact CE2-CD2 4.17Å; F128-Y130 HydrophobicContact CZ-CD2 4.01Å; F128-Y130 HydrophobicContact CZ-CG 4.44Å; F128-Y130 PolarHBondContact O-N 2.95Å; Y130-H134 HydrophobicContact CD1-CB 4.12Å | ||
| 131 | R | 94 | Very high | 93.5 | Very high | 171 Ų | 171 | 74.6 Ų | 74.6 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | trans | -90 | 168.7 | 167.7 | -61.7 | -175.1 | -64 | -165.9 | -4.2 | 112.2 | N133 H134 | R131-N133 VanDerWaalsContact C-N 3.3Å; R131-N133 VanDerWaalsContact CB-OD1 3.24Å; R131-N133 WeakPolarHBondContact CB-OD1 3.27Å; R131-N133 PolarHBondContact O-N 3.48Å; R131-H134 PolarHBondContact N-ND1 3.35Å; R131-H134 WeakPolarHBondContact O-CB 3.48Å; R131-H134 PolarHBondContact O-N 2.85Å; R131-H134 PolarHBondContact O-ND1 3.15Å; R131-H134 VanDerWaalsContact O-ND1 3.13Å | ||
| 132 | L | 91.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 69 Ų | 69 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -52 | -42.7 | -178.6 | 175.9 | 57.9 | 0 | 0 | 0 | 114.2 | Q105 L109 H134 I135 L136 | Q105-L132 HydrophobicContact CB-CD1 3.62Å; Q105-L132 HydrophobicContact CB-CD2 4.07Å; Q105-L132 HydrophobicContact CB-CG 4.46Å; Q105-L132 HydrophobicContact CG-CD1 3.58Å; Q105-L132 HydrophobicContact CG-CD2 4.36Å; L109-L132 HydrophobicContact CD1-CB 4.09Å; L132-H134 PolarHBondContact O-N 3.16Å; L132-I135 WeakPolarHBondContact O-CB 3.49Å; L132-I135 PolarHBondContact O-N 3.5Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CD2 4.42Å; L132-L136 HydrophobicContact CD1-CG 4.08Å; L132-L136 HydrophobicContact CG-CD1 4.12Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 PolarHBondContact O-N 3.3Å |
| 133 | N | 94.7 | Very high | 94 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.2 | -36 | -179.5 | 63.9 | -59.2 | 0 | 0 | 0 | 112 | R131 L136 E137 | R131-N133 VanDerWaalsContact C-N 3.3Å; R131-N133 VanDerWaalsContact CB-OD1 3.24Å; R131-N133 WeakPolarHBondContact CB-OD1 3.27Å; R131-N133 PolarHBondContact O-N 3.48Å; N133-L136 PolarHBondContact O-N 3.46Å; N133-E137 WeakPolarHBondContact O-CB 3.42Å; N133-E137 PolarHBondContact O-N 3.5Å |
| 134 | H | 95.9 | Very high | 94 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 176.5 | -46.9 | 104 | 0 | 0 | 0 | 112 | L85 Y130 R131 L132 A138 | L85-H134 HydrophobicContact CD1-CB 3.82Å; L85-H134 HydrophobicContact CD2-CB 3.94Å; Y130-H134 HydrophobicContact CD1-CB 4.12Å; R131-H134 PolarHBondContact N-ND1 3.35Å; R131-H134 WeakPolarHBondContact O-CB 3.48Å; R131-H134 PolarHBondContact O-N 2.85Å; R131-H134 PolarHBondContact O-ND1 3.15Å; R131-H134 VanDerWaalsContact O-ND1 3.13Å; L132-H134 PolarHBondContact O-N 3.16Å; H134-A138 WeakPolarHBondContact O-CB 3.35Å; H134-A138 PolarHBondContact O-N 3.04Å |
| 135 | I | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 176.2 | -67 | 179.2 | 0 | 0 | 0 | 110.2 | L85 F92 L108 L109 L132 A138 E139 | L85-I135 HydrophobicContact CD1-CG1 3.83Å; F92-I135 HydrophobicContact CD1-CG2 4.13Å; L108-I135 HydrophobicContact CD2-CD1 3.97Å; L109-I135 HydrophobicContact CD2-CD1 3.55Å; L109-I135 HydrophobicContact CG-CD1 4.45Å; L132-I135 WeakPolarHBondContact O-CB 3.49Å; L132-I135 PolarHBondContact O-N 3.5Å; I135-A138 PolarHBondContact O-N 3.42Å; I135-E139 VanDerWaalsContact O-CB 3.26Å; I135-E139 WeakPolarHBondContact O-CB 3.35Å; I135-E139 PolarHBondContact O-N 2.98Å |
| 136 | L | 95.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 179 | -63.8 | 177.3 | 0 | 0 | 0 | 112.1 | F92 L132 N133 E139 F140 | F92-L136 HydrophobicContact CE1-CD2 4.06Å; L132-L136 HydrophobicContact CD1-CD1 4.33Å; L132-L136 HydrophobicContact CD1-CD2 4.42Å; L132-L136 HydrophobicContact CD1-CG 4.08Å; L132-L136 HydrophobicContact CG-CD1 4.12Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 PolarHBondContact O-N 3.3Å; N133-L136 PolarHBondContact O-N 3.46Å; L136-E139 PolarHBondContact O-N 2.89Å; L136-F140 PolarHBondContact O-N 3.01Å; L136-F140 VanDerWaalsContact O-N 3.14Å |
| 137 | E | 96.1 | Very high | 95 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 174.8 | -179.3 | 173.8 | -167.7 | 0 | 0 | 111.4 | N133 E139 F140 F141 | N133-E137 WeakPolarHBondContact O-CB 3.42Å; N133-E137 PolarHBondContact O-N 3.5Å; E137-E139 VanDerWaalsContact C-N 3.28Å; E137-E139 PolarHBondContact O-N 2.75Å; E137-F140 WeakPolarHBondContact O-CB 3.31Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.15Å; E137-F141 HydrophobicContact CG-CD2 4.07Å; E137-F141 HydrophobicContact CG-CE2 3.59Å; E137-F141 WeakPolarHBondContact O-CD2 3.37Å; E137-F141 PolarHBondContact O-N 2.92Å; E137-F141 VanDerWaalsContact O-N 3.15Å |
| 138 | A | 96.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I81 L85 T89 H134 I135 F140 F141 L142 | I81-A138 HydrophobicContact CD1-CB 4.31Å; I81-A138 HydrophobicContact CG2-CB 4.44Å; L85-A138 HydrophobicContact CD2-CB 4.06Å; L85-A138 HydrophobicContact CG-CB 4.05Å; T89-A138 HydrophobicContact CG2-CB 3.87Å; H134-A138 WeakPolarHBondContact O-CB 3.35Å; H134-A138 PolarHBondContact O-N 3.04Å; I135-A138 PolarHBondContact O-N 3.42Å; A138-F140 VanDerWaalsContact C-N 3.33Å; A138-F141 PolarHBondContact O-N 3.14Å; A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.36Å; A138-L142 PolarHBondContact O-N 3.47Å |
| 139 | E | 96.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.3 | 176.1 | 174.3 | -146.4 | 0 | 0 | 110.7 | T89 F92 K96 I135 L136 E137 L142 L143 | T89-E139 HydrophobicContact CG2-CB 3.91Å; T89-E139 VanDerWaalsContact CG2-N 3.31Å; F92-E139 WeakPolarHBondContact CE1-OE2 3.4Å; K96-E139 IonicContact NZ-OE1 3.52Å; K96-E139 PolarHBondContact NZ-OE1 3Å; K96-E139 IonicContact NZ-OE2 2.7Å; K96-E139 PolarHBondContact NZ-OE2 3.34Å; I135-E139 VanDerWaalsContact O-CB 3.26Å; I135-E139 WeakPolarHBondContact O-CB 3.35Å; I135-E139 PolarHBondContact O-N 2.98Å; L136-E139 PolarHBondContact O-N 2.89Å; E137-E139 VanDerWaalsContact C-N 3.28Å; E137-E139 PolarHBondContact O-N 2.75Å; E139-L142 PolarHBondContact O-N 3.39Å; E139-L143 HydrophobicContact CG-CD1 4.22Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.42Å; E139-L143 PolarHBondContact O-N 3.49Å |
| 140 | F | 96.5 | Very high | 95.3 | Very high | 139 Ų | 139 | 61.6 Ų | 61.6 | 61% | 0.61 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 176.7 | -173.8 | -93.9 | 0 | 0 | 0 | 111.7 | L136 E137 A138 L142 L143 E144 | L136-F140 PolarHBondContact O-N 3.01Å; L136-F140 VanDerWaalsContact O-N 3.14Å; E137-F140 WeakPolarHBondContact O-CB 3.31Å; E137-F140 PolarHBondContact O-N 2.95Å; E137-F140 VanDerWaalsContact O-N 3.15Å; A138-F140 VanDerWaalsContact C-N 3.33Å; F140-L142 VanDerWaalsContact C-N 3.34Å; F140-L142 PolarHBondContact O-N 3.25Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 2.97Å; F140-E144 PolarHBondContact O-N 3.45Å |
| 141 | F | 95.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 40% | 0.395 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.7 | -71.3 | -62.2 | 0 | 0 | 0 | 112.7 | I81 E137 A138 L143 E144 I145 | I81-F141 HydrophobicContact CD1-CB 3.93Å; E137-F141 HydrophobicContact CG-CD2 4.07Å; E137-F141 HydrophobicContact CG-CE2 3.59Å; E137-F141 WeakPolarHBondContact O-CD2 3.37Å; E137-F141 PolarHBondContact O-N 2.92Å; E137-F141 VanDerWaalsContact O-N 3.15Å; A138-F141 PolarHBondContact O-N 3.14Å; F141-L143 VanDerWaalsContact C-N 3.33Å; F141-L143 PolarHBondContact O-N 3.32Å; F141-E144 PolarHBondContact O-N 2.91Å; F141-I145 WeakPolarHBondContact O-CB 3.43Å; F141-I145 WeakPolarHBondContact O-CG1 3.17Å; F141-I145 PolarHBondContact O-N 2.9Å |
| 142 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.3 | 176.1 | 59.1 | 0 | 0 | 0 | 111.5 | F72 L86 T89 C90 L93 A138 E139 F140 M146 | F72-L142 HydrophobicContact CB-CD1 3.99Å; F72-L142 HydrophobicContact CD2-CD1 3.97Å; F72-L142 HydrophobicContact CG-CD1 4.37Å; L86-L142 HydrophobicContact CD1-CB 4.5Å; L86-L142 HydrophobicContact CD1-CD1 4.43Å; L86-L142 HydrophobicContact CD1-CD2 4.36Å; T89-L142 HydrophobicContact CG2-CD2 4.22Å; C90-L142 HydrophobicContact CB-CD2 4.43Å; L93-L142 HydrophobicContact CD2-CD2 3.75Å; L93-L142 HydrophobicContact CD2-CG 4Å; A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.36Å; A138-L142 PolarHBondContact O-N 3.47Å; E139-L142 PolarHBondContact O-N 3.39Å; F140-L142 VanDerWaalsContact C-N 3.34Å; F140-L142 PolarHBondContact O-N 3.25Å; L142-M146 HydrophobicContact CD1-CE 3.61Å; L142-M146 HydrophobicContact CD1-CG 4.19Å; L142-M146 HydrophobicContact CD1-SD 3.93Å; L142-M146 HydrophobicContact CD2-CE 4.37Å; L142-M146 HydrophobicContact CG-CE 3.65Å; L142-M146 WeakPolarHBondContact O-CB 3.37Å; L142-M146 WeakPolarHBondContact O-CG 3.42Å; L142-M146 PolarHBondContact O-N 3.09Å; L142-M146 VanDerWaalsContact O-N 3.15Å |
| 143 | L | 97.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.4 | -74.7 | 170.1 | 0 | 0 | 0 | 112.1 | L93 E139 F140 F141 M146 D147 C148 L150 | L93-L143 HydrophobicContact CD1-CD2 3.92Å; L93-L143 HydrophobicContact CD1-CG 4.5Å; L93-L143 HydrophobicContact CD2-CD2 3.92Å; L93-L143 HydrophobicContact CD2-CG 4.28Å; E139-L143 HydrophobicContact CG-CD1 4.22Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.42Å; E139-L143 PolarHBondContact O-N 3.49Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 2.97Å; F141-L143 VanDerWaalsContact C-N 3.33Å; F141-L143 PolarHBondContact O-N 3.32Å; L143-M146 PolarHBondContact O-N 2.92Å; L143-D147 PolarHBondContact O-N 3.42Å; L143-C148 PolarHBondContact O-N 3.04Å; L143-L150 HydrophobicContact CD2-CD1 3.88Å; L143-L150 HydrophobicContact CD2-CD2 3.87Å; L143-L150 HydrophobicContact CD2-CG 4.39Å |
| 144 | E | 95.7 | Very high | 95.9 | Very high | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -52.1 | 179 | -175.3 | 178.9 | 172.5 | 0 | 0 | 111.4 | F140 F141 M146 D147 | F140-E144 PolarHBondContact O-N 3.45Å; F141-E144 PolarHBondContact O-N 2.91Å; E144-M146 PolarHBondContact O-N 3.25Å; E144-D147 PolarHBondContact O-N 2.87Å |
| 145 | I | 93.6 | Very high | 96 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 179.7 | -71.6 | -56.3 | 0 | 0 | 0 | 112.7 | F72 N76 F141 D147 | F72-I145 HydrophobicContact CD2-CB 4.1Å; F72-I145 HydrophobicContact CD2-CG1 4.18Å; F72-I145 HydrophobicContact CD2-CG2 3.94Å; F72-I145 HydrophobicContact CE2-CB 4.27Å; F72-I145 HydrophobicContact CE2-CG1 3.84Å; F72-I145 HydrophobicContact CE2-CG2 4.42Å; N76-I145 WeakPolarHBondContact ND2-CD1 3.13Å; N76-I145 WeakPolarHBondContact ND2-CG2 3.25Å; F141-I145 WeakPolarHBondContact O-CB 3.43Å; F141-I145 WeakPolarHBondContact O-CG1 3.17Å; F141-I145 PolarHBondContact O-N 2.9Å; I145-D147 VanDerWaalsContact C-N 3.25Å; I145-D147 PolarHBondContact O-N 2.88Å |
| 146 | M | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.1 | 178.9 | -69.5 | -167 | -56.8 | 0 | 0 | 113.4 | W14 Y68 R71 L93 L142 L143 E144 C148 C149 L150 | W14-M146 HydrophobicContact CH2-CG 4.34Å; W14-M146 HydrophobicContact CZ2-CB 4.17Å; W14-M146 HydrophobicContact CZ2-CG 4.26Å; Y68-M146 HydrophobicContact CD1-CE 3.81Å; Y68-M146 HydrophobicContact CD1-SD 3.57Å; Y68-M146 VanDerWaalsContact CD1-SD 3.57Å; Y68-M146 HydrophobicContact CD2-CE 4.11Å; Y68-M146 HydrophobicContact CE1-CE 4.16Å; Y68-M146 HydrophobicContact CE1-SD 4.24Å; Y68-M146 HydrophobicContact CE2-CE 4.44Å; Y68-M146 HydrophobicContact CG-CE 3.79Å; Y68-M146 HydrophobicContact CG-SD 3.88Å; R71-M146 HydrophobicContact CB-CG 4.24Å; R71-M146 HydrophobicContact CB-SD 4.01Å; L93-M146 HydrophobicContact CD2-CE 3.93Å; L142-M146 HydrophobicContact CD1-CE 3.61Å; L142-M146 HydrophobicContact CD1-CG 4.19Å; L142-M146 HydrophobicContact CD1-SD 3.93Å; L142-M146 HydrophobicContact CD2-CE 4.37Å; L142-M146 HydrophobicContact CG-CE 3.65Å; L142-M146 WeakPolarHBondContact O-CB 3.37Å; L142-M146 WeakPolarHBondContact O-CG 3.42Å; L142-M146 PolarHBondContact O-N 3.09Å; L142-M146 VanDerWaalsContact O-N 3.15Å; L143-M146 PolarHBondContact O-N 2.92Å; E144-M146 PolarHBondContact O-N 3.25Å; M146-C148 PolarHBondContact O-N 2.92Å; M146-C148 VanDerWaalsContact O-N 3.11Å; M146-C149 WeakPolarHBondContact O-CB 3.46Å; M146-C149 PolarHBondContact O-N 3.38Å; M146-L150 HydrophobicContact CE-CD2 3.75Å |
| 147 | D | 94.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 56 Ų | 56 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.2 | -173.5 | -68 | -44.8 | 0 | 0 | 0 | 112.5 | L143 E144 I145 C149 | L143-D147 PolarHBondContact O-N 3.42Å; E144-D147 PolarHBondContact O-N 2.87Å; I145-D147 VanDerWaalsContact C-N 3.25Å; I145-D147 PolarHBondContact O-N 2.88Å; D147-C149 PolarHBondContact O-N 2.83Å; D147-C149 PolarHBondContact O-SG 3.39Å |
| 148 | C | 94 | Very high | 96.2 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 60% | 0.595 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 23.2 | -172.6 | -64.8 | 0 | 0 | 0 | 0 | 114.6 | L143 M146 L150 | L143-C148 PolarHBondContact O-N 3.04Å; M146-C148 PolarHBondContact O-N 2.92Å; M146-C148 VanDerWaalsContact O-N 3.11Å; C148-L150 WeakPolarHBondContact O-CG 3.26Å; C148-L150 PolarHBondContact O-N 2.71Å |
| 149 | C | 94.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | trans | -80.9 | 65.9 | 178 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | S9 Q13 R71 M146 D147 | S9-C149 WeakPolarHBondContact CB-SG 3.21Å; Q13-C149 PolarHBondContact OE1-SG 3.08Å; R71-C149 PolarHBondContact NH1-O 3.45Å; M146-C149 WeakPolarHBondContact O-CB 3.46Å; M146-C149 PolarHBondContact O-N 3.38Å; D147-C149 PolarHBondContact O-N 2.83Å; D147-C149 PolarHBondContact O-SG 3.39Å | ||
| 150 | L | 95.7 | Very high | 96.3 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | trans | -79.1 | -21.2 | -167.1 | -60.3 | -178.8 | 0 | 0 | 0 | 114.5 | Y68 L93 V97 L143 M146 C148 V152 | Y68-L150 WeakPolarHBondContact CE1-O 3.44Å; Y68-L150 PolarHBondContact OH-O 3.32Å; L93-L150 HydrophobicContact CD2-CD2 4.05Å; V97-L150 HydrophobicContact CG1-CB 3.94Å; V97-L150 HydrophobicContact CG2-CB 3.9Å; V97-L150 HydrophobicContact CG2-CD1 3.69Å; V97-L150 HydrophobicContact CG2-CG 4.24Å; L143-L150 HydrophobicContact CD2-CD1 3.88Å; L143-L150 HydrophobicContact CD2-CD2 3.87Å; L143-L150 HydrophobicContact CD2-CG 4.39Å; M146-L150 HydrophobicContact CE-CD2 3.75Å; C148-L150 WeakPolarHBondContact O-CG 3.26Å; C148-L150 PolarHBondContact O-N 2.71Å; L150-V152 PolarHBondContact O-N 2.92Å | ||
| 151 | I | 95.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | trans | -71 | 122.1 | -177.9 | -55.2 | -56.8 | 0 | 0 | 0 | 110.3 | F153 | I151-F153 HydrophobicContact CG2-CD2 4.15Å; I151-F153 HydrophobicContact CG2-CE2 3.63Å; I151-F153 HydrophobicContact CG2-CZ 4.18Å | ||
| 152 | V | 97 | Very high | 96.3 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | trans | -111.4 | 135.3 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | T64 V67 Y68 L150 H154 | T64-V152 HydrophobicContact CG2-CB 4.44Å; T64-V152 HydrophobicContact CG2-CG2 3.97Å; V67-V152 HydrophobicContact CB-CG1 4.19Å; V67-V152 HydrophobicContact CB-CG2 4.42Å; V67-V152 HydrophobicContact CG1-CG1 3.98Å; V67-V152 HydrophobicContact CG1-CG2 4.03Å; V67-V152 HydrophobicContact CG2-CG1 4.1Å; Y68-V152 HydrophobicContact CD1-CG2 4.23Å; Y68-V152 HydrophobicContact CE1-CG2 3.68Å; L150-V152 PolarHBondContact O-N 2.92Å; V152-H154 WeakPolarHBondContact CG1-CE1 3.35Å | ||
| 153 | F | 97.3 | Very high | 96.3 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | trans | -104.1 | 125.4 | 174.3 | -73.4 | -97.7 | 0 | 0 | 0 | 107 | A2 G3 F5 S8 H10 I151 P194 | A2-F153 HydrophobicContact CB-CE1 4.17Å; G3-F153 WeakPolarHBondContact O-CE1 3.46Å; G3-F153 WeakPolarHBondContact O-CZ 3.49Å; F5-F153 HydrophobicContact CB-CD1 4.21Å; F5-F153 HydrophobicContact CB-CE1 4.39Å; F5-F153 HydrophobicContact CB-CG 4.34Å; F5-F153 HydrophobicContact CD2-CB 3.9Å; F5-F153 AromaticContact CD2-CD2 3.91Å; F5-F153 HydrophobicContact CD2-CD2 3.91Å; F5-F153 AromaticContact CD2-CG 3.86Å; F5-F153 HydrophobicContact CD2-CG 3.86Å; S8-F153 VanDerWaalsContact CB-CE2 3.41Å; S8-F153 WeakPolarHBondContact OG-CE2 3.34Å; H10-F153 HydrophobicContact CB-CD2 4.04Å; H10-F153 PolarHBondContact CE1-N 3.23Å; H10-F153 PolarHBondContact CE1-O 3.25Å; H10-F153 AromaticContact ND1-CD2 3.8Å; H10-F153 PolarHBondContact ND1-N 3.13Å; I151-F153 HydrophobicContact CG2-CD2 4.15Å; I151-F153 HydrophobicContact CG2-CE2 3.63Å; I151-F153 HydrophobicContact CG2-CZ 4.18Å; F153-P194 HydrophobicContact CB-CG 3.7Å; F153-P194 WeakPolarHBondContact O-CG 3.45Å | ||
| 154 | H | 97.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | trans | -106.1 | 148.6 | -174.4 | -63.4 | -74.7 | 0 | 0 | 0 | 112.3 | T64 V152 Y156 P158 Y184 | T64-H154 PolarHBondContact N-CE1 2.93Å; T64-H154 PolarHBondContact OG1-CE1 2.98Å; T64-H154 PolarHBondContact OG1-NE2 2.89Å; V152-H154 WeakPolarHBondContact CG1-CE1 3.35Å; H154-Y156 HydrophobicContact CB-CD2 3.49Å; H154-Y156 VanDerWaalsContact CB-CD2 3.49Å; H154-Y156 HydrophobicContact CB-CE2 3.98Å; H154-Y156 HydrophobicContact CB-CG 4.26Å; H154-Y156 PolarHBondContact O-N 3.05Å; H154-Y156 VanDerWaalsContact O-N 3.12Å; H154-P158 WeakPolarHBondContact O-CD 3.48Å; H154-Y184 WeakPolarHBondContact CB-OH 3.4Å; H154-Y184 AromaticContact ND1-CE1 3.83Å; H154-Y184 AromaticContact ND1-CZ 3.62Å; H154-Y184 PolarHBondContact ND1-OH 2.83Å | ||
| 155 | P | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -13.2 | 172.6 | 21.8 | -36.5 | 0 | 0 | 0 | 115 | R157 P158 L159 V180 Y184 P194 I197 A198 | P155-R157 PolarHBondContact O-N 3.2Å; P155-P158 VanDerWaalsContact O-CD 3.29Å; P155-P158 WeakPolarHBondContact O-CD 3.35Å; P155-P158 VanDerWaalsContact O-CG 3.32Å; P155-P158 WeakPolarHBondContact O-CG 3.45Å; P155-L159 WeakPolarHBondContact O-CB 3.28Å; P155-L159 PolarHBondContact O-N 3.36Å; P155-V180 HydrophobicContact CB-CG1 3.89Å; P155-V180 HydrophobicContact CB-CG2 4.43Å; P155-V180 HydrophobicContact CG-CG1 3.48Å; P155-V180 VanDerWaalsContact CG-CG1 3.48Å; P155-Y184 WeakPolarHBondContact CD-OH 3.38Å; P155-P194 WeakPolarHBondContact CB-O 3.47Å; P155-I197 HydrophobicContact CB-CB 4.32Å; P155-I197 HydrophobicContact CB-CG2 4.22Å; P155-I197 HydrophobicContact CG-CG2 4.2Å; P155-A198 HydrophobicContact CB-CB 3.91Å |
| 156 | Y | 98 | Very high | 96.2 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | -177.9 | -57.8 | -50.6 | 0 | 0 | 0 | 114.2 | Q59 A63 H154 T160 W177 V180 N181 Y184 | Q59-Y156 WeakPolarHBondContact CG-OH 3.41Å; A63-Y156 HydrophobicContact CB-CE2 3.97Å; H154-Y156 HydrophobicContact CB-CD2 3.49Å; H154-Y156 VanDerWaalsContact CB-CD2 3.49Å; H154-Y156 HydrophobicContact CB-CE2 3.98Å; H154-Y156 HydrophobicContact CB-CG 4.26Å; H154-Y156 PolarHBondContact O-N 3.05Å; H154-Y156 VanDerWaalsContact O-N 3.12Å; Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.3Å; Y156-T160 PolarHBondContact O-OG1 3.35Å; Y156-W177 AromaticContact CD1-CE3 3.71Å; Y156-W177 HydrophobicContact CD1-CE3 3.71Å; Y156-W177 AromaticContact CD1-CH2 3.89Å; Y156-W177 HydrophobicContact CD1-CH2 3.89Å; Y156-W177 AromaticContact CD1-CZ3 3.15Å; Y156-W177 HydrophobicContact CD1-CZ3 3.15Å; Y156-W177 HydrophobicContact CE1-CE3 4.04Å; Y156-W177 AromaticContact CE1-CZ3 3.74Å; Y156-W177 HydrophobicContact CE1-CZ3 3.74Å; Y156-W177 HydrophobicContact CG-CH2 4.14Å; Y156-W177 AromaticContact CG-CZ3 3.78Å; Y156-W177 HydrophobicContact CG-CZ3 3.78Å; Y156-V180 HydrophobicContact CD1-CG1 3.67Å; Y156-V180 HydrophobicContact CE1-CG1 3.54Å; Y156-N181 VanDerWaalsContact CE1-OD1 3.23Å; Y156-N181 WeakPolarHBondContact CE1-OD1 3.35Å; Y156-N181 PolarHBondContact OH-OD1 3.31Å; Y156-Y184 HydrophobicContact CE1-CE2 4.47Å; Y156-Y184 HydrophobicContact CE2-CE2 4.34Å; Y156-Y184 AromaticContact CZ-CE2 3.82Å; Y156-Y184 VanDerWaalsContact OH-CE2 3.31Å; Y156-Y184 WeakPolarHBondContact OH-CE2 3.5Å |
| 157 | R | 95.8 | Very high | 96.1 | Very high | 188 Ų | 188 | 55.3 Ų | 55.3 | 71% | 0.709 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.3 | -54.3 | 179.2 | -179.5 | 176.6 | 176.5 | 149.3 | 1 | 112.1 | P155 L159 T160 M161 | P155-R157 PolarHBondContact O-N 3.2Å; R157-L159 VanDerWaalsContact C-N 3.29Å; R157-L159 PolarHBondContact O-N 2.85Å; R157-T160 PolarHBondContact O-N 3.35Å; R157-M161 HydrophobicContact CG-SD 4.46Å; R157-M161 WeakPolarHBondContact O-CG 3.41Å; R157-M161 PolarHBondContact O-N 3.03Å; R157-M161 VanDerWaalsContact O-N 3.13Å |
| 158 | P | 96.5 | Very high | 96.1 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 176.7 | 21.5 | -30.7 | 0 | 0 | 0 | 111.9 | H154 P155 T160 M161 F162 P194 A198 | H154-P158 WeakPolarHBondContact O-CD 3.48Å; P155-P158 VanDerWaalsContact O-CD 3.29Å; P155-P158 WeakPolarHBondContact O-CD 3.35Å; P155-P158 VanDerWaalsContact O-CG 3.32Å; P155-P158 WeakPolarHBondContact O-CG 3.45Å; P158-T160 VanDerWaalsContact C-N 3.34Å; P158-T160 PolarHBondContact O-N 3.11Å; P158-M161 WeakPolarHBondContact O-CB 3.48Å; P158-M161 PolarHBondContact O-N 3.45Å; P158-M161 VanDerWaalsContact O-N 3.15Å; P158-F162 HydrophobicContact CB-CE2 3.85Å; P158-F162 HydrophobicContact CB-CZ 4.2Å; P158-F162 WeakPolarHBondContact O-CD2 3.38Å; P158-F162 VanDerWaalsContact O-CG 3.25Å; P158-F162 WeakPolarHBondContact O-CG 3.38Å; P158-F162 PolarHBondContact O-N 3.12Å; P158-P194 HydrophobicContact CG-CB 4.46Å; P158-A198 HydrophobicContact CB-CB 4.15Å; P158-A198 HydrophobicContact CG-CB 3.96Å |
| 159 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.4 | -48.7 | 173.6 | -179.7 | 71.4 | 0 | 0 | 0 | 111.7 | P155 R157 M161 F162 L163 A176 W177 V180 A198 L202 | P155-L159 WeakPolarHBondContact O-CB 3.28Å; P155-L159 PolarHBondContact O-N 3.36Å; R157-L159 VanDerWaalsContact C-N 3.29Å; R157-L159 PolarHBondContact O-N 2.85Å; L159-M161 VanDerWaalsContact C-N 3.26Å; L159-M161 PolarHBondContact O-N 2.87Å; L159-F162 PolarHBondContact O-N 3.1Å; L159-L163 HydrophobicContact CD1-CD1 4.13Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CD2-CD1 4.18Å; L159-L163 HydrophobicContact CG-CD1 3.77Å; L159-L163 HydrophobicContact CG-CG 4.24Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.76Å; L159-A176 HydrophobicContact CD1-CB 3.86Å; L159-A176 HydrophobicContact CD2-CB 4.49Å; L159-W177 HydrophobicContact CD2-CD2 3.95Å; L159-W177 HydrophobicContact CD2-CG 3.94Å; L159-V180 HydrophobicContact CD1-CG2 4.33Å; L159-V180 HydrophobicContact CD2-CB 4.37Å; L159-V180 HydrophobicContact CD2-CG2 3.8Å; L159-V180 HydrophobicContact CG-CG2 4.46Å; L159-A198 HydrophobicContact CB-CB 4.03Å; L159-L202 HydrophobicContact CD1-CB 4.25Å |
| 160 | T | 97.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Y156 R157 P158 T164 | Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.3Å; Y156-T160 PolarHBondContact O-OG1 3.35Å; R157-T160 PolarHBondContact O-N 3.35Å; P158-T160 VanDerWaalsContact C-N 3.34Å; P158-T160 PolarHBondContact O-N 3.11Å; T160-T164 WeakPolarHBondContact O-CB 3.37Å; T160-T164 PolarHBondContact O-N 2.94Å; T160-T164 PolarHBondContact O-OG1 2.94Å |
| 161 | M | 96.5 | Very high | 96.3 | Very high | 118 Ų | 118 | 58.7 Ų | 58.7 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 176 | -65.6 | 175.4 | 61.2 | 0 | 0 | 111.4 | R157 P158 L159 T164 D165 | R157-M161 HydrophobicContact CG-SD 4.46Å; R157-M161 WeakPolarHBondContact O-CG 3.41Å; R157-M161 PolarHBondContact O-N 3.03Å; R157-M161 VanDerWaalsContact O-N 3.13Å; P158-M161 WeakPolarHBondContact O-CB 3.48Å; P158-M161 PolarHBondContact O-N 3.45Å; P158-M161 VanDerWaalsContact O-N 3.15Å; L159-M161 VanDerWaalsContact C-N 3.26Å; L159-M161 PolarHBondContact O-N 2.87Å; M161-T164 PolarHBondContact O-N 3.03Å; M161-D165 PolarHBondContact O-N 2.94Å |
| 162 | F | 96.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.6 | -58.4 | -40.4 | 0 | 0 | 0 | 112.6 | P158 L159 T164 D165 M166 A198 L199 L202 W216 | P158-F162 HydrophobicContact CB-CE2 3.85Å; P158-F162 HydrophobicContact CB-CZ 4.2Å; P158-F162 WeakPolarHBondContact O-CD2 3.38Å; P158-F162 VanDerWaalsContact O-CG 3.25Å; P158-F162 WeakPolarHBondContact O-CG 3.38Å; P158-F162 PolarHBondContact O-N 3.12Å; L159-F162 PolarHBondContact O-N 3.1Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.48Å; F162-D165 PolarHBondContact O-N 3.48Å; F162-M166 VanDerWaalsContact O-CB 3.24Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 PolarHBondContact O-N 2.87Å; F162-A198 HydrophobicContact CD2-CB 4.17Å; F162-A198 HydrophobicContact CE2-CB 3.94Å; F162-L199 HydrophobicContact CD1-CD2 4.26Å; F162-L199 HydrophobicContact CD2-CD2 3.87Å; F162-L199 HydrophobicContact CD2-CG 4.06Å; F162-L199 HydrophobicContact CE1-CD2 4.13Å; F162-L199 HydrophobicContact CE1-CG 4.46Å; F162-L199 HydrophobicContact CE2-CD1 4.27Å; F162-L199 HydrophobicContact CE2-CD2 3.75Å; F162-L199 HydrophobicContact CE2-CG 3.5Å; F162-L199 HydrophobicContact CG-CD2 4.15Å; F162-L199 HydrophobicContact CZ-CD1 4.03Å; F162-L199 HydrophobicContact CZ-CD2 3.88Å; F162-L199 HydrophobicContact CZ-CG 3.73Å; F162-L202 HydrophobicContact CB-CD2 3.92Å; F162-W216 HydrophobicContact CB-CH2 3.81Å; F162-W216 HydrophobicContact CB-CZ2 4.25Å; F162-W216 AromaticContact CD1-CH2 3.89Å; F162-W216 HydrophobicContact CD1-CH2 3.89Å; F162-W216 HydrophobicContact CD1-CZ2 4.36Å; F162-W216 HydrophobicContact CG-CH2 4.02Å |
| 163 | L | 96.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 177.1 | -69.9 | 172.9 | 0 | 0 | 0 | 112.4 | L159 M166 A167 P168 V173 L202 | L159-L163 HydrophobicContact CD1-CD1 4.13Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CD2-CD1 4.18Å; L159-L163 HydrophobicContact CG-CD1 3.77Å; L159-L163 HydrophobicContact CG-CG 4.24Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.76Å; L163-M166 HydrophobicContact CD2-CE 4.29Å; L163-A167 WeakPolarHBondContact O-CA 3.46Å; L163-A167 PolarHBondContact O-N 3.25Å; L163-P168 HydrophobicContact CD2-CG 3.74Å; L163-P168 VanDerWaalsContact O-CD 3.24Å; L163-P168 WeakPolarHBondContact O-CD 3.29Å; L163-V173 HydrophobicContact CD1-CB 4.43Å; L163-V173 HydrophobicContact CD1-CG1 4.11Å; L163-V173 HydrophobicContact CD1-CG2 4.35Å; L163-V173 HydrophobicContact CD2-CG2 4.18Å; L163-L202 HydrophobicContact CD2-CD1 3.64Å |
| 164 | T | 96.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 64% | 0.644 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.9 | -41.7 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | T160 M161 F162 | T160-T164 WeakPolarHBondContact O-CB 3.37Å; T160-T164 PolarHBondContact O-N 2.94Å; T160-T164 PolarHBondContact O-OG1 2.94Å; M161-T164 PolarHBondContact O-N 3.03Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.48Å |
| 165 | D | 94.5 | Very high | 96.5 | Very high | 102 Ų | 102 | 58.3 Ų | 58.3 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.9 | -47 | 178.9 | -175.5 | 76.1 | 0 | 0 | 0 | 112.1 | M161 F162 A167 W216 | M161-D165 PolarHBondContact O-N 2.94Å; F162-D165 PolarHBondContact O-N 3.48Å; D165-A167 VanDerWaalsContact C-N 3.33Å; D165-A167 PolarHBondContact O-N 2.98Å; D165-W216 PolarHBondContact OD2-NE1 3.34Å |
| 166 | M | 93.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.8 | -26.2 | 179.6 | -169.7 | 179.8 | 64.9 | 0 | 0 | 112.8 | F162 L163 P168 V172 L202 L206 M213 W216 | F162-M166 VanDerWaalsContact O-CB 3.24Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 PolarHBondContact O-N 2.87Å; L163-M166 HydrophobicContact CD2-CE 4.29Å; M166-P168 HydrophobicContact CE-CB 3.61Å; M166-P168 HydrophobicContact CE-CG 3.41Å; M166-P168 VanDerWaalsContact CE-CG 3.41Å; M166-V172 HydrophobicContact CE-CG1 4.14Å; M166-L202 HydrophobicContact CE-CD1 3.74Å; M166-L202 HydrophobicContact CE-CD2 4.03Å; M166-L202 HydrophobicContact CE-CG 4.24Å; M166-L202 HydrophobicContact SD-CD2 4.33Å; M166-L206 HydrophobicContact CE-CD1 4.45Å; M166-L206 HydrophobicContact SD-CD1 4.19Å; M166-M213 HydrophobicContact CG-CE 3.64Å; M166-M213 HydrophobicContact SD-CB 4.3Å; M166-M213 HydrophobicContact SD-CE 4Å; M166-M213 HydrophobicContact SD-CG 4.2Å; M166-W216 HydrophobicContact CB-CD2 4.17Å; M166-W216 HydrophobicContact CB-CG 4.37Å; M166-W216 HydrophobicContact CB-CZ2 4.25Å; M166-W216 HydrophobicContact CG-CD2 4.09Å; M166-W216 HydrophobicContact CG-CG 4Å; M166-W216 HydrophobicContact SD-CD2 4.19Å; M166-W216 HydrophobicContact SD-CE3 4.26Å; M166-W216 HydrophobicContact SD-CG 4.42Å |
| 167 | A | 94.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | trans | 45.5 | 51.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L163 D165 | L163-A167 WeakPolarHBondContact O-CA 3.46Å; L163-A167 PolarHBondContact O-N 3.25Å; D165-A167 VanDerWaalsContact C-N 3.33Å; D165-A167 PolarHBondContact O-N 2.98Å | ||
| 168 | P | 94.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 20% | 0.195 | 33% | 0.33 | C | S | . | . | trans | -73.8 | 171.8 | 177.7 | 36.7 | -37.6 | 0 | 0 | 0 | 111.4 | L163 M166 V172 V173 | L163-P168 HydrophobicContact CD2-CG 3.74Å; L163-P168 VanDerWaalsContact O-CD 3.24Å; L163-P168 WeakPolarHBondContact O-CD 3.29Å; M166-P168 HydrophobicContact CE-CB 3.61Å; M166-P168 HydrophobicContact CE-CG 3.41Å; M166-P168 VanDerWaalsContact CE-CG 3.41Å; P168-V172 HydrophobicContact CB-CB 3.77Å; P168-V172 HydrophobicContact CB-CG1 3.96Å; P168-V172 HydrophobicContact CB-CG2 4.09Å; P168-V172 HydrophobicContact CG-CB 4.06Å; P168-V172 HydrophobicContact CG-CG1 4.02Å; P168-V173 HydrophobicContact CG-CG2 4.07Å | ||
| 169 | D | 94.7 | Very high | 96.8 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | -67 | 163.3 | 168.7 | 62.5 | 67.9 | 0 | 0 | 0 | 113.6 | T171 V172 V173 K211 | D169-T171 PolarHBondContact O-N 3.13Å; D169-T171 VanDerWaalsContact O-N 3.08Å; D169-T171 WeakPolarHBondContact OD1-CB 3.32Å; D169-T171 PolarHBondContact OD1-N 3.12Å; D169-T171 PolarHBondContact OD1-OG1 3.41Å; D169-V172 PolarHBondContact O-N 2.91Å; D169-V172 VanDerWaalsContact O-N 3.09Å; D169-V172 PolarHBondContact OD1-N 2.88Å; D169-V173 PolarHBondContact O-N 3.02Å; D169-K211 IonicContact OD1-NZ 3.73Å; D169-K211 PolarHBondContact OD1-NZ 3.08Å; D169-K211 IonicContact OD2-NZ 3.67Å; D169-K211 PolarHBondContact OD2-NZ 3.37Å | ||
| 170 | D | 96.8 | Very high | 96.8 | Very high | 136 Ų | 136 | 58.8 Ų | 58.8 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59 | -24.8 | -175.6 | -65.8 | -24.9 | 0 | 0 | 0 | 113.9 | V173 A174 | D170-V173 PolarHBondContact O-N 3.26Å; D170-A174 WeakPolarHBondContact O-CB 3.31Å; D170-A174 PolarHBondContact O-N 2.8Å |
| 171 | T | 97.7 | Very high | 96.8 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 179.5 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | D169 M175 K211 | D169-T171 PolarHBondContact O-N 3.13Å; D169-T171 VanDerWaalsContact O-N 3.08Å; D169-T171 WeakPolarHBondContact OD1-CB 3.32Å; D169-T171 PolarHBondContact OD1-N 3.12Å; D169-T171 PolarHBondContact OD1-OG1 3.41Å; T171-M175 WeakPolarHBondContact O-CB 3.45Å; T171-M175 PolarHBondContact O-N 2.92Å; T171-K211 PolarHBondContact OG1-NZ 2.93Å |
| 172 | V | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | M166 P168 D169 A174 M175 A176 L202 L206 L209 K211 | M166-V172 HydrophobicContact CE-CG1 4.14Å; P168-V172 HydrophobicContact CB-CB 3.77Å; P168-V172 HydrophobicContact CB-CG1 3.96Å; P168-V172 HydrophobicContact CB-CG2 4.09Å; P168-V172 HydrophobicContact CG-CB 4.06Å; P168-V172 HydrophobicContact CG-CG1 4.02Å; D169-V172 PolarHBondContact O-N 2.91Å; D169-V172 VanDerWaalsContact O-N 3.09Å; D169-V172 PolarHBondContact OD1-N 2.88Å; V172-A174 PolarHBondContact O-N 3.45Å; V172-M175 PolarHBondContact O-N 2.91Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.24Å; V172-A176 PolarHBondContact O-N 3.41Å; V172-L202 HydrophobicContact CG1-CD1 3.99Å; V172-L206 HydrophobicContact CG1-CD2 3.73Å; V172-L206 HydrophobicContact CG1-CG 4.09Å; V172-L206 HydrophobicContact CG2-CD2 3.95Å; V172-L209 HydrophobicContact CB-CD1 4.27Å; V172-L209 HydrophobicContact CG2-CD1 3.83Å; V172-K211 HydrophobicContact CG2-CD 3.47Å; V172-K211 VanDerWaalsContact CG2-CD 3.47Å |
| 173 | V | 98 | Very high | 97 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 26% | 0.255 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.3 | -54.4 | 176 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | L163 P168 D169 D170 M175 A176 W177 | L163-V173 HydrophobicContact CD1-CB 4.43Å; L163-V173 HydrophobicContact CD1-CG1 4.11Å; L163-V173 HydrophobicContact CD1-CG2 4.35Å; L163-V173 HydrophobicContact CD2-CG2 4.18Å; P168-V173 HydrophobicContact CG-CG2 4.07Å; D169-V173 PolarHBondContact O-N 3.02Å; D170-V173 PolarHBondContact O-N 3.26Å; V173-M175 PolarHBondContact O-N 3.48Å; V173-A176 PolarHBondContact O-N 3.49Å; V173-W177 VanDerWaalsContact O-CD1 3.23Å; V173-W177 PolarHBondContact O-N 2.89Å |
| 174 | A | 98.3 | Very high | 97.1 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | D170 V172 R178 | D170-A174 WeakPolarHBondContact O-CB 3.31Å; D170-A174 PolarHBondContact O-N 2.8Å; V172-A174 PolarHBondContact O-N 3.45Å; A174-R178 WeakPolarHBondContact O-CB 3.32Å; A174-R178 PolarHBondContact O-N 2.67Å |
| 175 | M | 98.3 | Very high | 97.1 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 18% | 0.177 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.3 | -174.7 | 63 | 76.6 | 0 | 0 | 111.6 | T171 V172 V173 W177 R178 V179 A205 M208 L209 | T171-M175 WeakPolarHBondContact O-CB 3.45Å; T171-M175 PolarHBondContact O-N 2.92Å; V172-M175 PolarHBondContact O-N 2.91Å; V173-M175 PolarHBondContact O-N 3.48Å; M175-W177 PolarHBondContact O-N 3.47Å; M175-R178 WeakPolarHBondContact O-CB 3.42Å; M175-R178 PolarHBondContact O-N 3.04Å; M175-R178 VanDerWaalsContact O-N 3.14Å; M175-V179 HydrophobicContact CG-CG2 4.35Å; M175-V179 WeakPolarHBondContact O-CG2 3.42Å; M175-V179 PolarHBondContact O-N 3.45Å; M175-V179 HydrophobicContact SD-CG2 4.34Å; M175-A205 HydrophobicContact CB-CB 3.92Å; M175-A205 HydrophobicContact CG-CB 3.52Å; M175-M208 HydrophobicContact SD-CE 4.19Å; M175-M208 HydrophobicContact SD-SD 4.44Å; M175-L209 HydrophobicContact CB-CD1 3.84Å; M175-L209 HydrophobicContact CB-CG 4.36Å; M175-L209 HydrophobicContact CE-CD2 4.05Å; M175-L209 HydrophobicContact CE-CG 4.46Å; M175-L209 HydrophobicContact CG-CD1 4.31Å; M175-L209 HydrophobicContact CG-CG 4.35Å |
| 176 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L159 V172 V173 R178 V179 V180 L202 A205 | L159-A176 HydrophobicContact CD1-CB 3.86Å; L159-A176 HydrophobicContact CD2-CB 4.49Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.24Å; V172-A176 PolarHBondContact O-N 3.41Å; V173-A176 PolarHBondContact O-N 3.49Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 2.89Å; A176-V179 PolarHBondContact O-N 3.1Å; A176-V180 WeakPolarHBondContact O-CB 3.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.4Å; A176-V180 PolarHBondContact O-N 3.5Å; A176-L202 HydrophobicContact CB-CD1 3.87Å; A176-A205 HydrophobicContact CB-CB 3.92Å |
| 177 | W | 98.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 33% | 0.333 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 172.7 | -88.6 | 98.1 | 0 | 0 | 0 | 112.7 | Y156 L159 V173 M175 V180 N181 | Y156-W177 AromaticContact CD1-CE3 3.71Å; Y156-W177 HydrophobicContact CD1-CE3 3.71Å; Y156-W177 AromaticContact CD1-CH2 3.89Å; Y156-W177 HydrophobicContact CD1-CH2 3.89Å; Y156-W177 AromaticContact CD1-CZ3 3.15Å; Y156-W177 HydrophobicContact CD1-CZ3 3.15Å; Y156-W177 HydrophobicContact CE1-CE3 4.04Å; Y156-W177 AromaticContact CE1-CZ3 3.74Å; Y156-W177 HydrophobicContact CE1-CZ3 3.74Å; Y156-W177 HydrophobicContact CG-CH2 4.14Å; Y156-W177 AromaticContact CG-CZ3 3.78Å; Y156-W177 HydrophobicContact CG-CZ3 3.78Å; L159-W177 HydrophobicContact CD2-CD2 3.95Å; L159-W177 HydrophobicContact CD2-CG 3.94Å; V173-W177 VanDerWaalsContact O-CD1 3.23Å; V173-W177 PolarHBondContact O-N 2.89Å; M175-W177 PolarHBondContact O-N 3.47Å; W177-V180 PolarHBondContact O-N 2.88Å; W177-N181 PolarHBondContact O-N 3.39Å; W177-N181 VanDerWaalsContact O-N 3.07Å; W177-N181 PolarHBondContact O-ND2 3.12Å |
| 178 | R | 98.3 | Very high | 97.7 | Very high | 151 Ų | 151 | 38.5 Ų | 38.5 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62 | -51.7 | 175.3 | 179.5 | -175.7 | 174.2 | 179 | 1.1 | 111.5 | A174 M175 A176 V180 N181 D182 | A174-R178 WeakPolarHBondContact O-CB 3.32Å; A174-R178 PolarHBondContact O-N 2.67Å; M175-R178 WeakPolarHBondContact O-CB 3.42Å; M175-R178 PolarHBondContact O-N 3.04Å; M175-R178 VanDerWaalsContact O-N 3.14Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 2.89Å; R178-V180 VanDerWaalsContact C-N 3.26Å; R178-V180 PolarHBondContact O-N 2.64Å; R178-N181 WeakPolarHBondContact O-CB 3.45Å; R178-N181 PolarHBondContact O-N 2.89Å; R178-D182 IonicContact NE-OD2 3.72Å; R178-D182 PolarHBondContact O-N 3.05Å |
| 179 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -37.8 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | M175 A176 N181 D182 S183 C201 L204 A205 M208 L234 | M175-V179 HydrophobicContact CG-CG2 4.35Å; M175-V179 WeakPolarHBondContact O-CG2 3.42Å; M175-V179 PolarHBondContact O-N 3.45Å; M175-V179 HydrophobicContact SD-CG2 4.34Å; A176-V179 PolarHBondContact O-N 3.1Å; V179-N181 PolarHBondContact O-N 3.24Å; V179-D182 PolarHBondContact O-N 2.97Å; V179-S183 PolarHBondContact O-N 2.91Å; V179-C201 HydrophobicContact CB-CB 4.07Å; V179-C201 HydrophobicContact CG1-CB 3.72Å; V179-L204 HydrophobicContact CG1-CB 4.49Å; V179-L204 HydrophobicContact CG1-CD2 3.95Å; V179-L204 HydrophobicContact CG1-CG 4.47Å; V179-A205 HydrophobicContact CG2-CB 4.44Å; V179-M208 HydrophobicContact CG2-SD 4.23Å; V179-L234 HydrophobicContact CG1-CD1 4.02Å |
| 180 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.3 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | P155 Y156 L159 A176 W177 R178 D182 S183 C201 | P155-V180 HydrophobicContact CB-CG1 3.89Å; P155-V180 HydrophobicContact CB-CG2 4.43Å; P155-V180 HydrophobicContact CG-CG1 3.48Å; P155-V180 VanDerWaalsContact CG-CG1 3.48Å; Y156-V180 HydrophobicContact CD1-CG1 3.67Å; Y156-V180 HydrophobicContact CE1-CG1 3.54Å; L159-V180 HydrophobicContact CD1-CG2 4.33Å; L159-V180 HydrophobicContact CD2-CB 4.37Å; L159-V180 HydrophobicContact CD2-CG2 3.8Å; L159-V180 HydrophobicContact CG-CG2 4.46Å; A176-V180 WeakPolarHBondContact O-CB 3.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.4Å; A176-V180 PolarHBondContact O-N 3.5Å; W177-V180 PolarHBondContact O-N 2.88Å; R178-V180 VanDerWaalsContact C-N 3.26Å; R178-V180 PolarHBondContact O-N 2.64Å; V180-D182 VanDerWaalsContact C-N 3.35Å; V180-S183 WeakPolarHBondContact O-CB 3.32Å; V180-S183 PolarHBondContact O-N 3.32Å; V180-S183 PolarHBondContact O-OG 2.72Å; V180-C201 HydrophobicContact CB-CB 4.41Å; V180-C201 HydrophobicContact CG2-CB 3.38Å |
| 181 | N | 98.4 | Very high | 98 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 175.5 | -71 | -37.3 | 0 | 0 | 0 | 111.9 | Q59 Y156 W177 R178 V179 S183 Y184 | Q59-N181 WeakPolarHBondContact CG-OD1 3.4Å; Y156-N181 VanDerWaalsContact CE1-OD1 3.23Å; Y156-N181 WeakPolarHBondContact CE1-OD1 3.35Å; Y156-N181 PolarHBondContact OH-OD1 3.31Å; W177-N181 PolarHBondContact O-N 3.39Å; W177-N181 VanDerWaalsContact O-N 3.07Å; W177-N181 PolarHBondContact O-ND2 3.12Å; R178-N181 WeakPolarHBondContact O-CB 3.45Å; R178-N181 PolarHBondContact O-N 2.89Å; V179-N181 PolarHBondContact O-N 3.24Å; N181-S183 PolarHBondContact O-N 3.1Å; N181-Y184 PolarHBondContact O-N 3.45Å |
| 182 | D | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -32.7 | 176.8 | -65.8 | -15.5 | 0 | 0 | 0 | 111.2 | R178 V179 V180 Y184 H185 M237 Y238 W241 | R178-D182 IonicContact NE-OD2 3.72Å; R178-D182 PolarHBondContact O-N 3.05Å; V179-D182 PolarHBondContact O-N 2.97Å; V180-D182 VanDerWaalsContact C-N 3.35Å; D182-Y184 PolarHBondContact O-N 3.44Å; D182-H185 VanDerWaalsContact O-CB 3.24Å; D182-H185 WeakPolarHBondContact O-CB 3.48Å; D182-H185 PolarHBondContact O-N 3.13Å; D182-H185 PolarHBondContact O-ND1 3.39Å; D182-H185 VanDerWaalsContact O-ND1 3.1Å; D182-M237 HydrophobicContact CB-CE 4.21Å; D182-Y238 HydrophobicContact CB-CE1 3.89Å; D182-Y238 VanDerWaalsContact CB-OH 3.26Å; D182-Y238 WeakPolarHBondContact CB-OH 3.12Å; D182-Y238 WeakPolarHBondContact OD2-CE1 3.48Å; D182-Y238 PolarHBondContact OD2-OH 3.35Å; D182-W241 HydrophobicContact CB-CZ3 4.35Å |
| 183 | S | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.7 | -25.9 | -179.5 | 79.7 | 0 | 0 | 0 | 0 | 114.4 | V179 V180 N181 H185 S186 | V179-S183 PolarHBondContact O-N 2.91Å; V180-S183 WeakPolarHBondContact O-CB 3.32Å; V180-S183 PolarHBondContact O-N 3.32Å; V180-S183 PolarHBondContact O-OG 2.72Å; N181-S183 PolarHBondContact O-N 3.1Å; S183-H185 PolarHBondContact O-N 3.01Å; S183-S186 PolarHBondContact O-N 2.99Å; S183-S186 PolarHBondContact O-OG 3.26Å |
| 184 | Y | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11.1 | 175.5 | -66.7 | -77.4 | 0 | 0 | 0 | 114 | A63 I66 V67 R70 H154 P155 Y156 N181 D182 S186 | A63-Y184 HydrophobicContact CB-CD1 4.34Å; A63-Y184 HydrophobicContact CB-CD2 4.24Å; A63-Y184 HydrophobicContact CB-CE1 3.86Å; A63-Y184 HydrophobicContact CB-CE2 3.76Å; I66-Y184 WeakPolarHBondContact CG2-O 3.43Å; V67-Y184 HydrophobicContact CG2-CD1 3.88Å; V67-Y184 HydrophobicContact CG2-CE1 3.8Å; R70-Y184 VanDerWaalsContact CZ-O 3.3Å; R70-Y184 PolarHBondContact NE-O 3.01Å; R70-Y184 PolarHBondContact NH2-O 3.3Å; H154-Y184 WeakPolarHBondContact CB-OH 3.4Å; H154-Y184 AromaticContact ND1-CE1 3.83Å; H154-Y184 AromaticContact ND1-CZ 3.62Å; H154-Y184 PolarHBondContact ND1-OH 2.83Å; P155-Y184 WeakPolarHBondContact CD-OH 3.38Å; Y156-Y184 HydrophobicContact CE1-CE2 4.47Å; Y156-Y184 HydrophobicContact CE2-CE2 4.34Å; Y156-Y184 AromaticContact CZ-CE2 3.82Å; Y156-Y184 VanDerWaalsContact OH-CE2 3.31Å; Y156-Y184 WeakPolarHBondContact OH-CE2 3.5Å; N181-Y184 PolarHBondContact O-N 3.45Å; D182-Y184 PolarHBondContact O-N 3.44Å; Y184-S186 PolarHBondContact O-N 3.05Å |
| 185 | H | 97 | Very high | 97.8 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.046 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.8 | 170.3 | -62.1 | 88.6 | 0 | 0 | 0 | 112.6 | I42 N46 R70 D182 S183 M237 W241 | I42-H185 HydrophobicContact CG1-CB 4.15Å; I42-H185 WeakPolarHBondContact CG1-O 3.44Å; N46-H185 PolarHBondContact OD1-NE2 2.91Å; R70-H185 VanDerWaalsContact NH2-CA 3.34Å; R70-H185 PolarHBondContact NH2-O 3.35Å; D182-H185 VanDerWaalsContact O-CB 3.24Å; D182-H185 WeakPolarHBondContact O-CB 3.48Å; D182-H185 PolarHBondContact O-N 3.13Å; D182-H185 PolarHBondContact O-ND1 3.39Å; D182-H185 VanDerWaalsContact O-ND1 3.1Å; S183-H185 PolarHBondContact O-N 3.01Å; H185-M237 VanDerWaalsContact C-SD 3.54Å; H185-M237 HydrophobicContact CB-SD 3.58Å; H185-M237 VanDerWaalsContact CB-SD 3.58Å; H185-W241 HydrophobicContact CB-CE3 4.48Å; H185-W241 HydrophobicContact CB-CH2 4.42Å; H185-W241 HydrophobicContact CB-CZ3 4.01Å; H185-W241 AromaticContact CD2-CH2 3.73Å; H185-W241 AromaticContact CE1-CH2 3.53Å; H185-W241 AromaticContact CG-CH2 3.61Å; H185-W241 AromaticContact CG-CZ3 3.66Å; H185-W241 AromaticContact ND1-CH2 3.49Å; H185-W241 WeakPolarHBondContact ND1-CH2 3.34Å; H185-W241 AromaticContact ND1-CZ3 3.64Å; H185-W241 AromaticContact NE2-CH2 3.7Å |
| 186 | S | 97.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -121.3 | 173.4 | 173.8 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | R70 S183 Y184 L188 | R70-S186 VanDerWaalsContact CZ-C 3.42Å; R70-S186 PolarHBondContact NE-O 3.48Å; R70-S186 VanDerWaalsContact NH1-C 3.35Å; R70-S186 PolarHBondContact NH1-O 3.42Å; S183-S186 PolarHBondContact O-N 2.99Å; S183-S186 PolarHBondContact O-OG 3.26Å; Y184-S186 PolarHBondContact O-N 3.05Å; S186-L188 PolarHBondContact O-N 2.84Å; S186-L188 WeakPolarHBondContact OG-CB 3.45Å; S186-L188 WeakPolarHBondContact OG-CD1 3.44Å; S186-L188 WeakPolarHBondContact OG-CG 3.18Å; S186-L188 PolarHBondContact OG-N 2.91Å |
| 187 | D | 97.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 25.2 Ų | 25.2 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 8.2 | 175.8 | -66.9 | -46.2 | 0 | 0 | 0 | 114.1 | R25 Q38 R70 S189 L190 L191 | R25-D187 IonicContact CZ-OD1 3.77Å; R25-D187 IonicContact CZ-OD2 2.75Å; R25-D187 VanDerWaalsContact NH1-CG 3.31Å; R25-D187 IonicContact NH1-OD1 2.77Å; R25-D187 PolarHBondContact NH1-OD1 2.96Å; R25-D187 IonicContact NH1-OD2 3.82Å; R25-D187 PolarHBondContact NH1-OD2 2.67Å; R25-D187 IonicContact NH2-OD1 2.72Å; R25-D187 PolarHBondContact NH2-OD1 3.32Å; R25-D187 IonicContact NH2-OD2 2.66Å; Q38-D187 PolarHBondContact NE2-OD2 3.06Å; R70-D187 IonicContact NH1-OD1 3.98Å; R70-D187 PolarHBondContact NH1-OD1 3.46Å; D187-S189 PolarHBondContact O-N 3.36Å; D187-S189 VanDerWaalsContact O-N 3.12Å; D187-L190 WeakPolarHBondContact O-CA 3.47Å; D187-L190 WeakPolarHBondContact O-CB 3.37Å; D187-L190 PolarHBondContact O-N 3.11Å; D187-L191 HydrophobicContact CB-CD1 4.21Å; D187-L191 PolarHBondContact O-N 3.44Å |
| 188 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.6 | -37.3 | -177.1 | -70.5 | 174.9 | 0 | 0 | 0 | 113.4 | S186 L190 L191 Y192 I197 I230 Q233 L234 | S186-L188 PolarHBondContact O-N 2.84Å; S186-L188 WeakPolarHBondContact OG-CB 3.45Å; S186-L188 WeakPolarHBondContact OG-CD1 3.44Å; S186-L188 WeakPolarHBondContact OG-CG 3.18Å; S186-L188 PolarHBondContact OG-N 2.91Å; L188-L190 PolarHBondContact O-N 3.21Å; L188-L191 PolarHBondContact O-N 3.02Å; L188-Y192 HydrophobicContact CB-CD2 4.48Å; L188-Y192 HydrophobicContact CD2-CD2 3.5Å; L188-Y192 VanDerWaalsContact CD2-CD2 3.5Å; L188-Y192 HydrophobicContact CD2-CE2 3.49Å; L188-Y192 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y192 PolarHBondContact O-N 3.14Å; L188-I197 HydrophobicContact CB-CD1 4.11Å; L188-I197 HydrophobicContact CB-CG1 4.34Å; L188-I197 WeakPolarHBondContact O-CD1 3.34Å; L188-I230 HydrophobicContact CD1-CG2 3.67Å; L188-I230 HydrophobicContact CD2-CB 4.26Å; L188-I230 HydrophobicContact CD2-CG1 4.2Å; L188-I230 HydrophobicContact CD2-CG2 3.75Å; L188-I230 HydrophobicContact CG-CG2 4.32Å; L188-Q233 HydrophobicContact CD2-CB 4.18Å; L188-L234 HydrophobicContact CD1-CD1 4.35Å; L188-L234 HydrophobicContact CD1-CD2 3.5Å; L188-L234 HydrophobicContact CD1-CG 3.73Å |
| 189 | S | 97.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 14 Ų | 14 | 8% | 0.077 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -17 | 176.2 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | D187 | D187-S189 PolarHBondContact O-N 3.36Å; D187-S189 VanDerWaalsContact O-N 3.12Å |
| 190 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -98.7 | -12.2 | 174.4 | -59.3 | 179.7 | 0 | 0 | 0 | 112.7 | W14 I15 L16 I21 R70 R71 V74 D187 L188 | W14-L190 WeakPolarHBondContact O-CA 3.3Å; I15-L190 CarbonylContact C-O 3.49Å; I15-L190 WeakPolarHBondContact CA-O 3.19Å; L16-L190 PolarHBondContact N-O 3.46Å; I21-L190 HydrophobicContact CD1-CB 4.06Å; I21-L190 HydrophobicContact CD1-CD1 4.33Å; R70-L190 HydrophobicContact CB-CD1 4.05Å; R70-L190 HydrophobicContact CB-CD2 4.47Å; R70-L190 HydrophobicContact CB-CG 4.36Å; R71-L190 HydrophobicContact CG-CD2 3.8Å; V74-L190 HydrophobicContact CB-CD1 3.95Å; V74-L190 HydrophobicContact CG1-CD1 4.32Å; V74-L190 HydrophobicContact CG2-CD1 4.04Å; D187-L190 WeakPolarHBondContact O-CA 3.47Å; D187-L190 WeakPolarHBondContact O-CB 3.37Å; D187-L190 PolarHBondContact O-N 3.11Å; L188-L190 PolarHBondContact O-N 3.21Å |
| 191 | L | 97.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 14 Ų | 14 | 11% | 0.11 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -113 | -31.1 | -169.6 | -69.8 | 172.6 | 0 | 0 | 0 | 112.8 | R18 I21 D187 L188 | R18-L191 HydrophobicContact CB-CD2 4.2Å; I21-L191 HydrophobicContact CD1-CD2 3.65Å; I21-L191 HydrophobicContact CD1-CG 4.12Å; D187-L191 HydrophobicContact CB-CD1 4.21Å; D187-L191 PolarHBondContact O-N 3.44Å; L188-L191 PolarHBondContact O-N 3.02Å |
| 192 | Y | 97.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 12 Ų | 12 | 4% | 0.043 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -131.9 | 146.2 | -170.2 | -56.2 | -85.9 | 0 | 0 | 0 | 112.8 | L188 E229 I230 Q233 | L188-Y192 HydrophobicContact CB-CD2 4.48Å; L188-Y192 HydrophobicContact CD2-CD2 3.5Å; L188-Y192 VanDerWaalsContact CD2-CD2 3.5Å; L188-Y192 HydrophobicContact CD2-CE2 3.49Å; L188-Y192 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y192 PolarHBondContact O-N 3.14Å; Y192-E229 PolarHBondContact OH-OE1 3.2Å; Y192-I230 HydrophobicContact CD1-CD1 3.73Å; Y192-I230 HydrophobicContact CD1-CG1 3.77Å; Y192-I230 HydrophobicContact CD2-CD1 4.13Å; Y192-I230 HydrophobicContact CD2-CG1 3.77Å; Y192-I230 HydrophobicContact CE1-CD1 4.34Å; Y192-I230 HydrophobicContact CE1-CG1 3.9Å; Y192-I230 HydrophobicContact CE2-CG1 3.91Å; Y192-I230 HydrophobicContact CG-CD1 3.62Å; Y192-I230 HydrophobicContact CG-CG1 3.71Å; Y192-Q233 PolarHBondContact OH-NE2 3.38Å |
| 193 | P | 96.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 12.3 Ų | 12.3 | 7% | 0.071 | 6% | 0.059 | C | C | . | . | trans | -55.7 | 145.2 | 168.9 | -26.9 | 35.4 | 0 | 0 | 0 | 112.8 | F5 W6 Y195 Q196 I197 | F5-P193 HydrophobicContact CD1-CB 4.43Å; F5-P193 HydrophobicContact CE1-CB 3.62Å; F5-P193 HydrophobicContact CE1-CG 3.97Å; F5-P193 HydrophobicContact CZ-CB 4.01Å; F5-P193 HydrophobicContact CZ-CG 4.38Å; W6-P193 HydrophobicContact CH2-CB 4.01Å; W6-P193 HydrophobicContact CH2-CG 3.73Å; W6-P193 HydrophobicContact CZ3-CG 4.01Å; P193-Y195 VanDerWaalsContact C-N 3.25Å; P193-Y195 HydrophobicContact CB-CD1 3.67Å; P193-Y195 HydrophobicContact CB-CE1 3.6Å; P193-Y195 HydrophobicContact CG-CE1 4.18Å; P193-Y195 PolarHBondContact O-N 3.37Å; P193-Y195 VanDerWaalsContact O-N 3.1Å; P193-Q196 HydrophobicContact CB-CG 4.41Å; P193-Q196 PolarHBondContact O-N 3.29Å; P193-I197 PolarHBondContact O-N 2.99Å | ||
| 194 | P | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 12.3 Ų | 12.3 | 7% | 0.065 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.7 | -32.3 | -176 | -27.9 | 35.1 | 0 | 0 | 0 | 115.1 | F5 F153 P155 P158 I197 A198 | F5-P194 HydrophobicContact CD2-CG 4.3Å; F5-P194 HydrophobicContact CE2-CG 4.14Å; F153-P194 HydrophobicContact CB-CG 3.7Å; F153-P194 WeakPolarHBondContact O-CG 3.45Å; P155-P194 WeakPolarHBondContact CB-O 3.47Å; P158-P194 HydrophobicContact CG-CB 4.46Å; P194-I197 PolarHBondContact O-N 2.88Å; P194-A198 WeakPolarHBondContact O-CB 3.45Å; P194-A198 PolarHBondContact O-N 3.25Å |
| 195 | Y | 95.9 | Very high | 97.5 | Very high | 89 Ų | 89 | 12.1 Ų | 12.1 | 35% | 0.349 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -70.2 | -33.7 | 179 | 84.5 | -84.9 | 0 | 0 | 0 | 112.2 | W6 P193 A198 L199 | W6-Y195 AromaticContact CH2-CE1 3.77Å; W6-Y195 HydrophobicContact CH2-CE1 3.77Å; W6-Y195 HydrophobicContact CZ2-CD1 4.21Å; W6-Y195 AromaticContact CZ2-CE1 3.61Å; W6-Y195 HydrophobicContact CZ2-CE1 3.61Å; P193-Y195 VanDerWaalsContact C-N 3.25Å; P193-Y195 HydrophobicContact CB-CD1 3.67Å; P193-Y195 HydrophobicContact CB-CE1 3.6Å; P193-Y195 HydrophobicContact CG-CE1 4.18Å; P193-Y195 PolarHBondContact O-N 3.37Å; P193-Y195 VanDerWaalsContact O-N 3.1Å; Y195-A198 PolarHBondContact O-N 3.34Å; Y195-L199 HydrophobicContact CD2-CD1 3.95Å; Y195-L199 HydrophobicContact CE2-CD1 4.31Å; Y195-L199 WeakPolarHBondContact O-CG 3.48Å; Y195-L199 PolarHBondContact O-N 2.72Å |
| 196 | Q | 96.9 | Very high | 97.4 | Very high | 26 Ų | 26 | 11.9 Ų | 11.9 | 12% | 0.121 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.6 | -41.9 | 175.9 | -63.5 | -174 | -12.2 | 0 | 0 | 110.5 | P193 A198 L199 A200 I230 | P193-Q196 HydrophobicContact CB-CG 4.41Å; P193-Q196 PolarHBondContact O-N 3.29Å; Q196-A198 VanDerWaalsContact C-N 3.32Å; Q196-A198 PolarHBondContact O-N 3.31Å; Q196-L199 PolarHBondContact O-N 3.43Å; Q196-A200 WeakPolarHBondContact O-CB 3.23Å; Q196-A200 PolarHBondContact O-N 3.11Å; Q196-I230 HydrophobicContact CB-CD1 3.69Å |
| 197 | I | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 173.8 | -57.6 | 173.3 | 0 | 0 | 0 | 110 | P155 L188 P193 P194 L199 A200 C201 | P155-I197 HydrophobicContact CB-CB 4.32Å; P155-I197 HydrophobicContact CB-CG2 4.22Å; P155-I197 HydrophobicContact CG-CG2 4.2Å; L188-I197 HydrophobicContact CB-CD1 4.11Å; L188-I197 HydrophobicContact CB-CG1 4.34Å; L188-I197 WeakPolarHBondContact O-CD1 3.34Å; P193-I197 PolarHBondContact O-N 2.99Å; P194-I197 PolarHBondContact O-N 2.88Å; I197-L199 PolarHBondContact O-N 3.34Å; I197-A200 PolarHBondContact O-N 3.2Å; I197-C201 WeakPolarHBondContact O-CB 3.48Å; I197-C201 PolarHBondContact O-N 3.07Å; I197-C201 PolarHBondContact O-SG 3.48Å |
| 198 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P155 P158 L159 F162 P194 Y195 Q196 C201 L202 | P155-A198 HydrophobicContact CB-CB 3.91Å; P158-A198 HydrophobicContact CB-CB 4.15Å; P158-A198 HydrophobicContact CG-CB 3.96Å; L159-A198 HydrophobicContact CB-CB 4.03Å; F162-A198 HydrophobicContact CD2-CB 4.17Å; F162-A198 HydrophobicContact CE2-CB 3.94Å; P194-A198 WeakPolarHBondContact O-CB 3.45Å; P194-A198 PolarHBondContact O-N 3.25Å; Y195-A198 PolarHBondContact O-N 3.34Å; Q196-A198 VanDerWaalsContact C-N 3.32Å; Q196-A198 PolarHBondContact O-N 3.31Å; A198-C201 PolarHBondContact O-N 3.49Å; A198-L202 WeakPolarHBondContact O-CB 3.08Å; A198-L202 PolarHBondContact O-N 3.13Å |
| 199 | L | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.3 | -76.2 | 165.3 | 0 | 0 | 0 | 112 | F162 Y195 Q196 I197 L202 H203 W216 F217 V222 V227 | F162-L199 HydrophobicContact CD1-CD2 4.26Å; F162-L199 HydrophobicContact CD2-CD2 3.87Å; F162-L199 HydrophobicContact CD2-CG 4.06Å; F162-L199 HydrophobicContact CE1-CD2 4.13Å; F162-L199 HydrophobicContact CE1-CG 4.46Å; F162-L199 HydrophobicContact CE2-CD1 4.27Å; F162-L199 HydrophobicContact CE2-CD2 3.75Å; F162-L199 HydrophobicContact CE2-CG 3.5Å; F162-L199 HydrophobicContact CG-CD2 4.15Å; F162-L199 HydrophobicContact CZ-CD1 4.03Å; F162-L199 HydrophobicContact CZ-CD2 3.88Å; F162-L199 HydrophobicContact CZ-CG 3.73Å; Y195-L199 HydrophobicContact CD2-CD1 3.95Å; Y195-L199 HydrophobicContact CE2-CD1 4.31Å; Y195-L199 WeakPolarHBondContact O-CG 3.48Å; Y195-L199 PolarHBondContact O-N 2.72Å; Q196-L199 PolarHBondContact O-N 3.43Å; I197-L199 PolarHBondContact O-N 3.34Å; L199-L202 PolarHBondContact O-N 3.15Å; L199-H203 WeakPolarHBondContact O-CB 3.25Å; L199-H203 PolarHBondContact O-N 2.79Å; L199-W216 HydrophobicContact CD2-CH2 4.1Å; L199-W216 HydrophobicContact CD2-CZ3 4Å; L199-F217 HydrophobicContact CD2-CE1 4.15Å; L199-V222 HydrophobicContact CD1-CB 4.48Å; L199-V222 HydrophobicContact CD1-CG1 3.82Å; L199-V222 HydrophobicContact CD1-CG2 3.73Å; L199-V222 HydrophobicContact CD2-CG2 4.32Å; L199-V227 HydrophobicContact CB-CG2 4.25Å |
| 200 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q196 I197 L202 H203 L204 V227 I230 E231 | Q196-A200 WeakPolarHBondContact O-CB 3.23Å; Q196-A200 PolarHBondContact O-N 3.11Å; I197-A200 PolarHBondContact O-N 3.2Å; A200-L202 VanDerWaalsContact C-N 3.31Å; A200-L202 PolarHBondContact O-N 3.38Å; A200-H203 PolarHBondContact O-N 3Å; A200-L204 VanDerWaalsContact O-CB 3.24Å; A200-L204 WeakPolarHBondContact O-CB 3.13Å; A200-L204 PolarHBondContact O-N 3.41Å; A200-V227 HydrophobicContact CB-CG1 4.14Å; A200-I230 HydrophobicContact CB-CB 3.62Å; A200-I230 HydrophobicContact CB-CD1 4.34Å; A200-I230 HydrophobicContact CB-CG2 3.36Å; A200-E231 HydrophobicContact CB-CG 4.1Å |
| 201 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | V179 V180 I197 A198 A205 | V179-C201 HydrophobicContact CB-CB 4.07Å; V179-C201 HydrophobicContact CG1-CB 3.72Å; V180-C201 HydrophobicContact CB-CB 4.41Å; V180-C201 HydrophobicContact CG2-CB 3.38Å; I197-C201 WeakPolarHBondContact O-CB 3.48Å; I197-C201 PolarHBondContact O-N 3.07Å; I197-C201 PolarHBondContact O-SG 3.48Å; A198-C201 PolarHBondContact O-N 3.49Å; C201-A205 VanDerWaalsContact O-CB 3.25Å; C201-A205 WeakPolarHBondContact O-CB 3.24Å; C201-A205 PolarHBondContact O-N 2.67Å |
| 202 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.2 | -47 | 176 | -179.7 | 58.8 | 0 | 0 | 0 | 111.8 | L159 F162 L163 M166 V172 A176 A198 L199 A200 A205 L206 W216 F217 | L159-L202 HydrophobicContact CD1-CB 4.25Å; F162-L202 HydrophobicContact CB-CD2 3.92Å; L163-L202 HydrophobicContact CD2-CD1 3.64Å; M166-L202 HydrophobicContact CE-CD1 3.74Å; M166-L202 HydrophobicContact CE-CD2 4.03Å; M166-L202 HydrophobicContact CE-CG 4.24Å; M166-L202 HydrophobicContact SD-CD2 4.33Å; V172-L202 HydrophobicContact CG1-CD1 3.99Å; A176-L202 HydrophobicContact CB-CD1 3.87Å; A198-L202 WeakPolarHBondContact O-CB 3.08Å; A198-L202 PolarHBondContact O-N 3.13Å; L199-L202 PolarHBondContact O-N 3.15Å; A200-L202 VanDerWaalsContact C-N 3.31Å; A200-L202 PolarHBondContact O-N 3.38Å; L202-A205 PolarHBondContact O-N 3.19Å; L202-L206 HydrophobicContact CG-CD1 4.33Å; L202-L206 WeakPolarHBondContact O-CG 3.35Å; L202-L206 PolarHBondContact O-N 2.89Å; L202-W216 HydrophobicContact CD2-CH2 4.37Å; L202-W216 HydrophobicContact CD2-CZ3 4.17Å; L202-F217 HydrophobicContact CG-CZ 4.39Å |
| 203 | H | 96.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 177.3 | -176.1 | -92 | 0 | 0 | 0 | 110.7 | L199 A200 A205 L206 V207 F217 V227 E231 | L199-H203 WeakPolarHBondContact O-CB 3.25Å; L199-H203 PolarHBondContact O-N 2.79Å; A200-H203 PolarHBondContact O-N 3Å; H203-A205 VanDerWaalsContact C-N 3.33Å; H203-A205 PolarHBondContact O-N 2.9Å; H203-L206 WeakPolarHBondContact O-CB 3.37Å; H203-L206 PolarHBondContact O-N 2.88Å; H203-L206 VanDerWaalsContact O-N 3.17Å; H203-V207 WeakPolarHBondContact O-CG2 3.47Å; H203-V207 PolarHBondContact O-N 2.95Å; H203-F217 HydrophobicContact CB-CE1 3.88Å; H203-F217 HydrophobicContact CB-CE2 4.11Å; H203-F217 HydrophobicContact CB-CZ 3.49Å; H203-F217 VanDerWaalsContact CB-CZ 3.49Å; H203-F217 AromaticContact CD2-CD2 3.95Å; H203-F217 AromaticContact CD2-CE2 3.75Å; H203-F217 AromaticContact CD2-CZ 3.93Å; H203-V227 HydrophobicContact CB-CG1 4.04Å; H203-E231 VanDerWaalsContact C-OE1 3.31Å; H203-E231 WeakPolarHBondContact CB-OE1 3.24Å; H203-E231 IonicContact CE1-OE1 3.16Å; H203-E231 IonicContact CE1-OE2 2.88Å; H203-E231 IonicContact CG-OE1 2.8Å; H203-E231 IonicContact ND1-OE1 2.59Å; H203-E231 PolarHBondContact ND1-OE1 3.03Å; H203-E231 IonicContact ND1-OE2 3.35Å; H203-E231 PolarHBondContact ND1-OE2 3.48Å; H203-E231 VanDerWaalsContact ND1-OE2 3.16Å |
| 204 | L | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.7 | -176.8 | 56.6 | 0 | 0 | 0 | 112 | V179 A200 L206 V207 M208 E231 L234 L235 Y238 | V179-L204 HydrophobicContact CG1-CB 4.49Å; V179-L204 HydrophobicContact CG1-CD2 3.95Å; V179-L204 HydrophobicContact CG1-CG 4.47Å; A200-L204 VanDerWaalsContact O-CB 3.24Å; A200-L204 WeakPolarHBondContact O-CB 3.13Å; A200-L204 PolarHBondContact O-N 3.41Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L204-L206 PolarHBondContact O-N 2.92Å; L204-V207 PolarHBondContact O-N 3.33Å; L204-M208 HydrophobicContact CD1-CG 4.23Å; L204-M208 HydrophobicContact CD1-SD 4.4Å; L204-M208 HydrophobicContact CG-CG 4.4Å; L204-M208 HydrophobicContact CG-SD 4.05Å; L204-M208 WeakPolarHBondContact O-CB 3.34Å; L204-M208 VanDerWaalsContact O-CG 3.24Å; L204-M208 WeakPolarHBondContact O-CG 3.26Å; L204-M208 PolarHBondContact O-N 3.25Å; L204-E231 WeakPolarHBondContact CA-OE1 3.32Å; L204-E231 HydrophobicContact CB-CG 4.19Å; L204-E231 PolarHBondContact N-OE1 3.04Å; L204-L234 HydrophobicContact CD2-CB 3.76Å; L204-L234 HydrophobicContact CD2-CD1 3.82Å; L204-L234 HydrophobicContact CD2-CG 4.44Å; L204-L235 HydrophobicContact CD1-CD2 3.97Å; L204-L235 HydrophobicContact CD1-CG 4.33Å; L204-Y238 HydrophobicContact CD2-CE2 4.01Å |
| 205 | A | 98 | Very high | 94 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M175 A176 V179 C201 L202 H203 M208 L209 | M175-A205 HydrophobicContact CB-CB 3.92Å; M175-A205 HydrophobicContact CG-CB 3.52Å; A176-A205 HydrophobicContact CB-CB 3.92Å; V179-A205 HydrophobicContact CG2-CB 4.44Å; C201-A205 VanDerWaalsContact O-CB 3.25Å; C201-A205 WeakPolarHBondContact O-CB 3.24Å; C201-A205 PolarHBondContact O-N 2.67Å; L202-A205 PolarHBondContact O-N 3.19Å; H203-A205 VanDerWaalsContact C-N 3.33Å; H203-A205 PolarHBondContact O-N 2.9Å; A205-M208 PolarHBondContact O-N 3.45Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.42Å; A205-L209 PolarHBondContact O-N 2.86Å; A205-L209 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 96.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 175.5 | -73 | 161.6 | 0 | 0 | 0 | 111.5 | M166 V172 L202 H203 L204 M208 L209 G210 K211 M213 F217 | M166-L206 HydrophobicContact CE-CD1 4.45Å; M166-L206 HydrophobicContact SD-CD1 4.19Å; V172-L206 HydrophobicContact CG1-CD2 3.73Å; V172-L206 HydrophobicContact CG1-CG 4.09Å; V172-L206 HydrophobicContact CG2-CD2 3.95Å; L202-L206 HydrophobicContact CG-CD1 4.33Å; L202-L206 WeakPolarHBondContact O-CG 3.35Å; L202-L206 PolarHBondContact O-N 2.89Å; H203-L206 WeakPolarHBondContact O-CB 3.37Å; H203-L206 PolarHBondContact O-N 2.88Å; H203-L206 VanDerWaalsContact O-N 3.17Å; L204-L206 VanDerWaalsContact C-N 3.35Å; L204-L206 PolarHBondContact O-N 2.92Å; L206-M208 PolarHBondContact O-N 3.48Å; L206-L209 CarbonylContact O-C 3.44Å; L206-L209 PolarHBondContact O-N 3.27Å; L206-G210 PolarHBondContact O-N 3.46Å; L206-K211 HydrophobicContact CD2-CB 3.82Å; L206-K211 PolarHBondContact O-N 2.91Å; L206-M213 HydrophobicContact CD1-CB 3.93Å; L206-M213 HydrophobicContact CD1-CG 4.14Å; L206-M213 HydrophobicContact CD2-CB 4.43Å; L206-M213 HydrophobicContact CD2-CG 3.76Å; L206-F217 HydrophobicContact CD1-CE2 3.71Å; L206-F217 HydrophobicContact CD1-CZ 4.32Å |
| 207 | V | 95 | Very high | 93.3 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 53% | 0.527 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -46 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | H203 L204 L209 G210 | H203-V207 WeakPolarHBondContact O-CG2 3.47Å; H203-V207 PolarHBondContact O-N 2.95Å; L204-V207 PolarHBondContact O-N 3.33Å; V207-L209 PolarHBondContact O-N 3.49Å; V207-G210 PolarHBondContact O-N 3.38Å; V207-G210 VanDerWaalsContact O-N 3.08Å |
| 208 | M | 95.6 | Very high | 92.7 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 48% | 0.478 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -28.9 | 177.7 | -72 | 175.7 | 74.2 | 0 | 0 | 113 | M175 V179 L204 A205 L206 | M175-M208 HydrophobicContact SD-CE 4.19Å; M175-M208 HydrophobicContact SD-SD 4.44Å; V179-M208 HydrophobicContact CG2-SD 4.23Å; L204-M208 HydrophobicContact CD1-CG 4.23Å; L204-M208 HydrophobicContact CD1-SD 4.4Å; L204-M208 HydrophobicContact CG-CG 4.4Å; L204-M208 HydrophobicContact CG-SD 4.05Å; L204-M208 WeakPolarHBondContact O-CB 3.34Å; L204-M208 VanDerWaalsContact O-CG 3.24Å; L204-M208 WeakPolarHBondContact O-CG 3.26Å; L204-M208 PolarHBondContact O-N 3.25Å; A205-M208 PolarHBondContact O-N 3.45Å; L206-M208 PolarHBondContact O-N 3.48Å |
| 209 | L | 96.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.7 | 177 | -67.3 | 172.8 | 0 | 0 | 0 | 113.5 | V172 M175 A205 L206 V207 K211 | V172-L209 HydrophobicContact CB-CD1 4.27Å; V172-L209 HydrophobicContact CG2-CD1 3.83Å; M175-L209 HydrophobicContact CB-CD1 3.84Å; M175-L209 HydrophobicContact CB-CG 4.36Å; M175-L209 HydrophobicContact CE-CD2 4.05Å; M175-L209 HydrophobicContact CE-CG 4.46Å; M175-L209 HydrophobicContact CG-CD1 4.31Å; M175-L209 HydrophobicContact CG-CG 4.35Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.42Å; A205-L209 PolarHBondContact O-N 2.86Å; A205-L209 VanDerWaalsContact O-N 3.1Å; L206-L209 CarbonylContact O-C 3.44Å; L206-L209 PolarHBondContact O-N 3.27Å; V207-L209 PolarHBondContact O-N 3.49Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 HydrophobicContact CB-CD 4.27Å; L209-K211 HydrophobicContact CB-CG 4.26Å; L209-K211 PolarHBondContact O-N 2.97Å |
| 210 | G | 94.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 74% | 0.742 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 28.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L206 V207 | L206-G210 PolarHBondContact O-N 3.46Å; V207-G210 PolarHBondContact O-N 3.38Å; V207-G210 VanDerWaalsContact O-N 3.08Å |
| 211 | K | 92.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | trans | -101.1 | 130.5 | 179.5 | -69.9 | 179.6 | 178.7 | 174.5 | 0 | 110.3 | D169 T171 V172 L206 L209 | D169-K211 IonicContact OD1-NZ 3.73Å; D169-K211 PolarHBondContact OD1-NZ 3.08Å; D169-K211 IonicContact OD2-NZ 3.67Å; D169-K211 PolarHBondContact OD2-NZ 3.37Å; T171-K211 PolarHBondContact OG1-NZ 2.93Å; V172-K211 HydrophobicContact CG2-CD 3.47Å; V172-K211 VanDerWaalsContact CG2-CD 3.47Å; L206-K211 HydrophobicContact CD2-CB 3.82Å; L206-K211 PolarHBondContact O-N 2.91Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 HydrophobicContact CB-CD 4.27Å; L209-K211 HydrophobicContact CB-CG 4.26Å; L209-K211 PolarHBondContact O-N 2.97Å | ||
| 212 | D | 85.6 | Confident | 89.9 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | trans | -98 | 116.8 | 178 | -167.1 | -6.8 | 0 | 0 | 0 | 110.3 | K214 | D212-K214 WeakPolarHBondContact OD1-CB 3.2Å; D212-K214 WeakPolarHBondContact OD1-CD 3.45Å; D212-K214 WeakPolarHBondContact OD1-CG 3.3Å; D212-K214 PolarHBondContact OD1-N 3.25Å | ||
| 213 | M | 80.8 | Confident | 89.4 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 35% | 0.345 | 37% | 0.373 | S | S | . | . | trans | -129.5 | 30 | 173.7 | -64.3 | -64.2 | -70.3 | 0 | 0 | 111.3 | M166 L206 G215 W216 F217 | M166-M213 HydrophobicContact CG-CE 3.64Å; M166-M213 HydrophobicContact SD-CB 4.3Å; M166-M213 HydrophobicContact SD-CE 4Å; M166-M213 HydrophobicContact SD-CG 4.2Å; L206-M213 HydrophobicContact CD1-CB 3.93Å; L206-M213 HydrophobicContact CD1-CG 4.14Å; L206-M213 HydrophobicContact CD2-CB 4.43Å; L206-M213 HydrophobicContact CD2-CG 3.76Å; M213-G215 PolarHBondContact O-N 3.14Å; M213-G215 VanDerWaalsContact O-N 3.12Å; M213-W216 HydrophobicContact CE-CB 4.35Å; M213-W216 PolarHBondContact O-N 3.49Å; M213-F217 WeakPolarHBondContact O-CD2 3.19Å; M213-F217 PolarHBondContact O-N 2.77Å | ||
| 214 | K | 80.1 | Confident | 89.1 | Confident | 144 Ų | 144 | 65 Ų | 65 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -53.8 | -33.6 | 179.9 | -76.1 | 167.4 | -173.1 | 169.6 | 0 | 113.5 | D212 W216 F217 A218 | D212-K214 WeakPolarHBondContact OD1-CB 3.2Å; D212-K214 WeakPolarHBondContact OD1-CD 3.45Å; D212-K214 WeakPolarHBondContact OD1-CG 3.3Å; D212-K214 PolarHBondContact OD1-N 3.25Å; K214-W216 PolarHBondContact O-N 3.17Å; K214-F217 PolarHBondContact O-N 3.1Å; K214-A218 PolarHBondContact O-N 2.97Å |
| 215 | G | 85.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 71 Ų | 71 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M213 F217 A218 E219 | M213-G215 PolarHBondContact O-N 3.14Å; M213-G215 VanDerWaalsContact O-N 3.12Å; G215-F217 PolarHBondContact O-N 3.38Å; G215-A218 WeakPolarHBondContact O-CB 3.16Å; G215-A218 PolarHBondContact O-N 3.26Å; G215-E219 WeakPolarHBondContact O-CG 3.38Å; G215-E219 PolarHBondContact O-N 3.11Å |
| 216 | W | 90.6 | Very high | 88.6 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 179.3 | -174.7 | 84.9 | 0 | 0 | 0 | 112.1 | F162 D165 M166 L199 L202 M213 K214 A218 E219 M220 | F162-W216 HydrophobicContact CB-CH2 3.81Å; F162-W216 HydrophobicContact CB-CZ2 4.25Å; F162-W216 AromaticContact CD1-CH2 3.89Å; F162-W216 HydrophobicContact CD1-CH2 3.89Å; F162-W216 HydrophobicContact CD1-CZ2 4.36Å; F162-W216 HydrophobicContact CG-CH2 4.02Å; D165-W216 PolarHBondContact OD2-NE1 3.34Å; M166-W216 HydrophobicContact CB-CD2 4.17Å; M166-W216 HydrophobicContact CB-CG 4.37Å; M166-W216 HydrophobicContact CB-CZ2 4.25Å; M166-W216 HydrophobicContact CG-CD2 4.09Å; M166-W216 HydrophobicContact CG-CG 4Å; M166-W216 HydrophobicContact SD-CD2 4.19Å; M166-W216 HydrophobicContact SD-CE3 4.26Å; M166-W216 HydrophobicContact SD-CG 4.42Å; L199-W216 HydrophobicContact CD2-CH2 4.1Å; L199-W216 HydrophobicContact CD2-CZ3 4Å; L202-W216 HydrophobicContact CD2-CH2 4.37Å; L202-W216 HydrophobicContact CD2-CZ3 4.17Å; M213-W216 HydrophobicContact CE-CB 4.35Å; M213-W216 PolarHBondContact O-N 3.49Å; K214-W216 PolarHBondContact O-N 3.17Å; W216-A218 VanDerWaalsContact C-N 3.33Å; W216-A218 PolarHBondContact O-N 3.3Å; W216-E219 PolarHBondContact O-N 3.44Å; W216-M220 HydrophobicContact CD2-CG 4.11Å; W216-M220 HydrophobicContact CE3-CG 4.13Å; W216-M220 HydrophobicContact CH2-CG 3.77Å; W216-M220 HydrophobicContact CH2-SD 4.16Å; W216-M220 HydrophobicContact CZ2-CG 3.74Å; W216-M220 HydrophobicContact CZ2-SD 3.85Å; W216-M220 HydrophobicContact CZ3-CG 3.97Å; W216-M220 WeakPolarHBondContact O-CG 3.34Å; W216-M220 PolarHBondContact O-N 2.83Å; W216-M220 VanDerWaalsContact O-N 3.14Å |
| 217 | F | 87.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 175.2 | -78.6 | -83.1 | 0 | 0 | 0 | 112.9 | L199 L202 H203 L206 M213 K214 G215 M220 M224 | L199-F217 HydrophobicContact CD2-CE1 4.15Å; L202-F217 HydrophobicContact CG-CZ 4.39Å; H203-F217 HydrophobicContact CB-CE1 3.88Å; H203-F217 HydrophobicContact CB-CE2 4.11Å; H203-F217 HydrophobicContact CB-CZ 3.49Å; H203-F217 VanDerWaalsContact CB-CZ 3.49Å; H203-F217 AromaticContact CD2-CD2 3.95Å; H203-F217 AromaticContact CD2-CE2 3.75Å; H203-F217 AromaticContact CD2-CZ 3.93Å; L206-F217 HydrophobicContact CD1-CE2 3.71Å; L206-F217 HydrophobicContact CD1-CZ 4.32Å; M213-F217 WeakPolarHBondContact O-CD2 3.19Å; M213-F217 PolarHBondContact O-N 2.77Å; K214-F217 PolarHBondContact O-N 3.1Å; G215-F217 PolarHBondContact O-N 3.38Å; F217-M220 PolarHBondContact O-N 3.43Å; F217-M224 HydrophobicContact CB-SD 4.06Å; F217-M224 HydrophobicContact CD1-CE 4.48Å; F217-M224 HydrophobicContact CD1-SD 3.89Å; F217-M224 HydrophobicContact CG-SD 4.26Å |
| 218 | A | 85.2 | Confident | 88.5 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K214 G215 W216 M220 A221 | K214-A218 PolarHBondContact O-N 2.97Å; G215-A218 WeakPolarHBondContact O-CB 3.16Å; G215-A218 PolarHBondContact O-N 3.26Å; W216-A218 VanDerWaalsContact C-N 3.33Å; W216-A218 PolarHBondContact O-N 3.3Å; A218-M220 VanDerWaalsContact C-N 3.35Å; A218-A221 PolarHBondContact O-N 2.82Å |
| 219 | E | 87.2 | Confident | 88.6 | Confident | 156 Ų | 156 | 75.4 Ų | 75.4 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.8 | -34.3 | 177.3 | -72.6 | 176.4 | -173.3 | 0 | 0 | 112.9 | G215 W216 A221 | G215-E219 WeakPolarHBondContact O-CG 3.38Å; G215-E219 PolarHBondContact O-N 3.11Å; W216-E219 PolarHBondContact O-N 3.44Å; E219-A221 PolarHBondContact O-N 2.97Å; E219-A221 VanDerWaalsContact O-N 3.16Å |
| 220 | M | 82.7 | Confident | 88.7 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.4 | 178.9 | -71 | -75.1 | 99.5 | 0 | 0 | 114.3 | W216 F217 A218 V222 | W216-M220 HydrophobicContact CD2-CG 4.11Å; W216-M220 HydrophobicContact CE3-CG 4.13Å; W216-M220 HydrophobicContact CH2-CG 3.77Å; W216-M220 HydrophobicContact CH2-SD 4.16Å; W216-M220 HydrophobicContact CZ2-CG 3.74Å; W216-M220 HydrophobicContact CZ2-SD 3.85Å; W216-M220 HydrophobicContact CZ3-CG 3.97Å; W216-M220 WeakPolarHBondContact O-CG 3.34Å; W216-M220 PolarHBondContact O-N 2.83Å; W216-M220 VanDerWaalsContact O-N 3.14Å; F217-M220 PolarHBondContact O-N 3.43Å; A218-M220 VanDerWaalsContact C-N 3.35Å; M220-V222 HydrophobicContact CB-CG2 3.54Å; M220-V222 PolarHBondContact O-N 3.3Å; M220-V222 VanDerWaalsContact O-N 3.1Å |
| 221 | A | 81.4 | Confident | 88.8 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 76% | 0.76 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A218 E219 | A218-A221 PolarHBondContact O-N 2.82Å; E219-A221 PolarHBondContact O-N 2.97Å; E219-A221 VanDerWaalsContact O-N 3.16Å |
| 222 | V | 80.8 | Confident | 89 | Confident | 34 Ų | 34 | 74.1 Ų | 74.1 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | trans | -76 | 141.1 | -178 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | L199 M220 M224 V227 | L199-V222 HydrophobicContact CD1-CB 4.48Å; L199-V222 HydrophobicContact CD1-CG1 3.82Å; L199-V222 HydrophobicContact CD1-CG2 3.73Å; L199-V222 HydrophobicContact CD2-CG2 4.32Å; M220-V222 HydrophobicContact CB-CG2 3.54Å; M220-V222 PolarHBondContact O-N 3.3Å; M220-V222 VanDerWaalsContact O-N 3.1Å; V222-M224 VanDerWaalsContact C-N 3.34Å; V222-M224 HydrophobicContact CG1-SD 4.42Å; V222-M224 PolarHBondContact O-N 2.9Å; V222-V227 HydrophobicContact CG1-CG2 3.52Å | ||
| 223 | D | 87.9 | Confident | 89.6 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | trans | -67.7 | 93.2 | 166.6 | -176.7 | -13.7 | 0 | 0 | 0 | 109.6 | D225 R226 V227 | D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 WeakPolarHBondContact OD1-CB 3.46Å; D223-D225 PolarHBondContact OD1-N 3.47Å; D223-D225 VanDerWaalsContact OD1-N 3.11Å; D223-R226 HydrophobicContact CB-CB 4.42Å; D223-R226 HydrophobicContact CB-CG 4.24Å; D223-R226 PolarHBondContact O-N 3.03Å; D223-R226 PolarHBondContact OD1-N 2.74Å; D223-R226 WeakPolarHBondContact OD2-CG 3.48Å; D223-V227 PolarHBondContact O-N 2.92Å | ||
| 224 | M | 89.9 | Confident | 90.4 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.4 | -25.5 | -178.7 | -72.4 | -57.5 | -61.2 | 0 | 0 | 112.7 | F217 V222 R226 V227 L228 | F217-M224 HydrophobicContact CB-SD 4.06Å; F217-M224 HydrophobicContact CD1-CE 4.48Å; F217-M224 HydrophobicContact CD1-SD 3.89Å; F217-M224 HydrophobicContact CG-SD 4.26Å; V222-M224 VanDerWaalsContact C-N 3.34Å; V222-M224 HydrophobicContact CG1-SD 4.42Å; V222-M224 PolarHBondContact O-N 2.9Å; M224-R226 VanDerWaalsContact C-N 3.29Å; M224-R226 PolarHBondContact O-N 3.06Å; M224-V227 HydrophobicContact CE-CB 4.4Å; M224-V227 HydrophobicContact CE-CG1 4.17Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 HydrophobicContact SD-CB 4.4Å; M224-V227 HydrophobicContact SD-CG2 4.34Å; M224-L228 WeakPolarHBondContact O-CB 3.29Å; M224-L228 VanDerWaalsContact O-CG 3.24Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L228 PolarHBondContact O-N 2.74Å |
| 225 | D | 92.6 | Very high | 91.2 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 68% | 0.684 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -40.4 | 177.5 | -67 | -31.1 | 0 | 0 | 0 | 110.2 | D223 L228 E229 | D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 WeakPolarHBondContact OD1-CB 3.46Å; D223-D225 PolarHBondContact OD1-N 3.47Å; D223-D225 VanDerWaalsContact OD1-N 3.11Å; D225-L228 PolarHBondContact O-N 2.83Å; D225-E229 WeakPolarHBondContact O-CB 3.46Å; D225-E229 PolarHBondContact O-N 3.28Å |
| 226 | R | 92.7 | Very high | 91.8 | Very high | 120 Ų | 120 | 65.4 Ų | 65.4 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.5 | -66.1 | -69.2 | 177.9 | 143.3 | -1.9 | 112.8 | D223 M224 E229 I230 | D223-R226 HydrophobicContact CB-CB 4.42Å; D223-R226 HydrophobicContact CB-CG 4.24Å; D223-R226 PolarHBondContact O-N 3.03Å; D223-R226 PolarHBondContact OD1-N 2.74Å; D223-R226 WeakPolarHBondContact OD2-CG 3.48Å; M224-R226 VanDerWaalsContact C-N 3.29Å; M224-R226 PolarHBondContact O-N 3.06Å; R226-E229 PolarHBondContact O-N 2.93Å; R226-I230 WeakPolarHBondContact O-CG1 3.44Å; R226-I230 PolarHBondContact O-N 3.38Å; R226-I230 VanDerWaalsContact O-N 3.11Å |
| 227 | V | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | L199 A200 H203 V222 D223 M224 E229 I230 E231 | L199-V227 HydrophobicContact CB-CG2 4.25Å; A200-V227 HydrophobicContact CB-CG1 4.14Å; H203-V227 HydrophobicContact CB-CG1 4.04Å; V222-V227 HydrophobicContact CG1-CG2 3.52Å; D223-V227 PolarHBondContact O-N 2.92Å; M224-V227 HydrophobicContact CE-CB 4.4Å; M224-V227 HydrophobicContact CE-CG1 4.17Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 HydrophobicContact SD-CB 4.4Å; M224-V227 HydrophobicContact SD-CG2 4.34Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.06Å; V227-I230 PolarHBondContact O-N 3.27Å; V227-E231 WeakPolarHBondContact O-CG 3.47Å; V227-E231 PolarHBondContact O-N 3.35Å |
| 228 | L | 95 | Very high | 92.5 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | -179.5 | -66.1 | 173.9 | 0 | 0 | 0 | 112.8 | M224 D225 E231 K232 | M224-L228 WeakPolarHBondContact O-CB 3.29Å; M224-L228 VanDerWaalsContact O-CG 3.24Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L228 PolarHBondContact O-N 2.74Å; D225-L228 PolarHBondContact O-N 2.83Å; L228-E231 PolarHBondContact O-N 3.42Å; L228-K232 WeakPolarHBondContact O-CB 3.3Å; L228-K232 PolarHBondContact O-N 3.36Å |
| 229 | E | 96.9 | Very high | 93.1 | Very high | 75 Ų | 75 | 67.2 Ų | 67.2 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 173.9 | -167.9 | -167.6 | 166.1 | 0 | 0 | 112.3 | Y192 D225 R226 V227 Q233 | Y192-E229 PolarHBondContact OH-OE1 3.2Å; D225-E229 WeakPolarHBondContact O-CB 3.46Å; D225-E229 PolarHBondContact O-N 3.28Å; R226-E229 PolarHBondContact O-N 2.93Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.06Å; E229-Q233 PolarHBondContact O-N 2.81Å; E229-Q233 PolarHBondContact O-NE2 3.35Å |
| 230 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.4 | -66.9 | 171.2 | 0 | 0 | 0 | 110.1 | L188 Y192 Q196 A200 R226 V227 K232 Q233 L234 | L188-I230 HydrophobicContact CD1-CG2 3.67Å; L188-I230 HydrophobicContact CD2-CB 4.26Å; L188-I230 HydrophobicContact CD2-CG1 4.2Å; L188-I230 HydrophobicContact CD2-CG2 3.75Å; L188-I230 HydrophobicContact CG-CG2 4.32Å; Y192-I230 HydrophobicContact CD1-CD1 3.73Å; Y192-I230 HydrophobicContact CD1-CG1 3.77Å; Y192-I230 HydrophobicContact CD2-CD1 4.13Å; Y192-I230 HydrophobicContact CD2-CG1 3.77Å; Y192-I230 HydrophobicContact CE1-CD1 4.34Å; Y192-I230 HydrophobicContact CE1-CG1 3.9Å; Y192-I230 HydrophobicContact CE2-CG1 3.91Å; Y192-I230 HydrophobicContact CG-CD1 3.62Å; Y192-I230 HydrophobicContact CG-CG1 3.71Å; Q196-I230 HydrophobicContact CB-CD1 3.69Å; A200-I230 HydrophobicContact CB-CB 3.62Å; A200-I230 HydrophobicContact CB-CD1 4.34Å; A200-I230 HydrophobicContact CB-CG2 3.36Å; R226-I230 WeakPolarHBondContact O-CG1 3.44Å; R226-I230 PolarHBondContact O-N 3.38Å; R226-I230 VanDerWaalsContact O-N 3.11Å; V227-I230 PolarHBondContact O-N 3.27Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 3Å; I230-Q233 WeakPolarHBondContact O-CB 3.42Å; I230-Q233 PolarHBondContact O-N 3.45Å; I230-Q233 VanDerWaalsContact O-N 3.14Å; I230-L234 HydrophobicContact CG2-CD1 4.34Å; I230-L234 PolarHBondContact O-N 3.05Å |
| 231 | E | 97.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 177 | -71.4 | -170.1 | 162 | 0 | 0 | 112.9 | A200 H203 L204 V227 L228 Q233 L234 L235 | A200-E231 HydrophobicContact CB-CG 4.1Å; H203-E231 VanDerWaalsContact C-OE1 3.31Å; H203-E231 WeakPolarHBondContact CB-OE1 3.24Å; H203-E231 IonicContact CE1-OE1 3.16Å; H203-E231 IonicContact CE1-OE2 2.88Å; H203-E231 IonicContact CG-OE1 2.8Å; H203-E231 IonicContact ND1-OE1 2.59Å; H203-E231 PolarHBondContact ND1-OE1 3.03Å; H203-E231 IonicContact ND1-OE2 3.35Å; H203-E231 PolarHBondContact ND1-OE2 3.48Å; H203-E231 VanDerWaalsContact ND1-OE2 3.16Å; L204-E231 WeakPolarHBondContact CA-OE1 3.32Å; L204-E231 HydrophobicContact CB-CG 4.19Å; L204-E231 PolarHBondContact N-OE1 3.04Å; V227-E231 WeakPolarHBondContact O-CG 3.47Å; V227-E231 PolarHBondContact O-N 3.35Å; L228-E231 PolarHBondContact O-N 3.42Å; E231-Q233 PolarHBondContact O-N 2.87Å; E231-L234 PolarHBondContact O-N 3.14Å; E231-L234 VanDerWaalsContact O-N 3.11Å; E231-L235 WeakPolarHBondContact O-CB 3.47Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 3.43Å |
| 232 | K | 97.6 | Very high | 94.4 | Very high | 158 Ų | 158 | 65.6 Ų | 65.6 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.8 | -38 | 176.2 | -174.9 | 178.8 | 177.9 | -177.9 | 0 | 111.5 | L228 I230 A236 | L228-K232 WeakPolarHBondContact O-CB 3.3Å; L228-K232 PolarHBondContact O-N 3.36Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 3Å; K232-A236 WeakPolarHBondContact O-CB 3.39Å; K232-A236 PolarHBondContact O-N 3.44Å |
| 233 | Q | 97.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.4 | -40.6 | 176.1 | -70.4 | 172.5 | 82.4 | 0 | 0 | 112.6 | L188 Y192 E229 I230 E231 L235 A236 M237 | L188-Q233 HydrophobicContact CD2-CB 4.18Å; Y192-Q233 PolarHBondContact OH-NE2 3.38Å; E229-Q233 PolarHBondContact O-N 2.81Å; E229-Q233 PolarHBondContact O-NE2 3.35Å; I230-Q233 WeakPolarHBondContact O-CB 3.42Å; I230-Q233 PolarHBondContact O-N 3.45Å; I230-Q233 VanDerWaalsContact O-N 3.14Å; E231-Q233 PolarHBondContact O-N 2.87Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-A236 PolarHBondContact O-N 2.86Å; Q233-M237 WeakPolarHBondContact O-CB 3.34Å; Q233-M237 PolarHBondContact O-N 3.2Å |
| 234 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 173.5 | -70.3 | 172.3 | 0 | 0 | 0 | 111.3 | V179 L188 L204 I230 E231 M237 Y238 | V179-L234 HydrophobicContact CG1-CD1 4.02Å; L188-L234 HydrophobicContact CD1-CD1 4.35Å; L188-L234 HydrophobicContact CD1-CD2 3.5Å; L188-L234 HydrophobicContact CD1-CG 3.73Å; L204-L234 HydrophobicContact CD2-CB 3.76Å; L204-L234 HydrophobicContact CD2-CD1 3.82Å; L204-L234 HydrophobicContact CD2-CG 4.44Å; I230-L234 HydrophobicContact CG2-CD1 4.34Å; I230-L234 PolarHBondContact O-N 3.05Å; E231-L234 PolarHBondContact O-N 3.14Å; E231-L234 VanDerWaalsContact O-N 3.11Å; L234-M237 HydrophobicContact CD2-CE 4.09Å; L234-M237 WeakPolarHBondContact O-CB 3.38Å; L234-M237 PolarHBondContact O-N 3.05Å; L234-Y238 HydrophobicContact CB-CE2 4.49Å; L234-Y238 WeakPolarHBondContact O-CD2 3.25Å; L234-Y238 PolarHBondContact O-N 2.91Å |
| 235 | L | 97.8 | Very high | 95.4 | Very high | 94 Ų | 94 | 64.8 Ų | 64.8 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.6 | -70.6 | 172.9 | 0 | 0 | 0 | 112.1 | L204 E231 Q233 Y238 S239 | L204-L235 HydrophobicContact CD1-CD2 3.97Å; L204-L235 HydrophobicContact CD1-CG 4.33Å; E231-L235 WeakPolarHBondContact O-CB 3.47Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 3.43Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; L235-Y238 PolarHBondContact O-N 3.36Å; L235-S239 WeakPolarHBondContact O-CB 3.24Å; L235-S239 PolarHBondContact O-N 2.87Å |
| 236 | A | 96.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K232 Q233 S239 M240 | K232-A236 WeakPolarHBondContact O-CB 3.39Å; K232-A236 PolarHBondContact O-N 3.44Å; Q233-A236 PolarHBondContact O-N 2.86Å; A236-S239 WeakPolarHBondContact O-CB 3.44Å; A236-S239 PolarHBondContact O-N 3.31Å; A236-M240 PolarHBondContact O-N 2.83Å |
| 237 | M | 96.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 173.9 | 179.2 | -164 | 74.8 | 0 | 0 | 111.2 | D182 H185 Q233 L234 S239 M240 W241 | D182-M237 HydrophobicContact CB-CE 4.21Å; H185-M237 VanDerWaalsContact C-SD 3.54Å; H185-M237 HydrophobicContact CB-SD 3.58Å; H185-M237 VanDerWaalsContact CB-SD 3.58Å; Q233-M237 WeakPolarHBondContact O-CB 3.34Å; Q233-M237 PolarHBondContact O-N 3.2Å; L234-M237 HydrophobicContact CD2-CE 4.09Å; L234-M237 WeakPolarHBondContact O-CB 3.38Å; L234-M237 PolarHBondContact O-N 3.05Å; M237-S239 VanDerWaalsContact C-N 3.33Å; M237-S239 PolarHBondContact O-N 2.85Å; M237-M240 PolarHBondContact O-N 3.31Å; M237-W241 HydrophobicContact CE-CE3 4.4Å; M237-W241 VanDerWaalsContact O-CB 3.3Å; M237-W241 WeakPolarHBondContact O-CB 3.13Å; M237-W241 PolarHBondContact O-N 2.99Å |
| 238 | Y | 97.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 68 Ų | 68 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 177.7 | -74.6 | -45.3 | 0 | 0 | 0 | 113 | D182 L204 L234 L235 W241 K242 | D182-Y238 HydrophobicContact CB-CE1 3.89Å; D182-Y238 VanDerWaalsContact CB-OH 3.26Å; D182-Y238 WeakPolarHBondContact CB-OH 3.12Å; D182-Y238 WeakPolarHBondContact OD2-CE1 3.48Å; D182-Y238 PolarHBondContact OD2-OH 3.35Å; L204-Y238 HydrophobicContact CD2-CE2 4.01Å; L234-Y238 HydrophobicContact CB-CE2 4.49Å; L234-Y238 WeakPolarHBondContact O-CD2 3.25Å; L234-Y238 PolarHBondContact O-N 2.91Å; L235-Y238 PolarHBondContact O-N 3.36Å; Y238-W241 HydrophobicContact CD1-CE3 4.46Å; Y238-W241 PolarHBondContact O-N 3.47Å; Y238-K242 VanDerWaalsContact O-CB 3.29Å; Y238-K242 WeakPolarHBondContact O-CB 3.41Å; Y238-K242 PolarHBondContact O-N 3.48Å |
| 239 | S | 96.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -47.8 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | L235 A236 M237 | L235-S239 WeakPolarHBondContact O-CB 3.24Å; L235-S239 PolarHBondContact O-N 2.87Å; A236-S239 WeakPolarHBondContact O-CB 3.44Å; A236-S239 PolarHBondContact O-N 3.31Å; M237-S239 VanDerWaalsContact C-N 3.33Å; M237-S239 PolarHBondContact O-N 2.85Å |
| 240 | M | 94.2 | Very high | 95.3 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 176.3 | -176.1 | -171.6 | -61.3 | 0 | 0 | 111.1 | D35 Q38 K39 A236 M237 K242 S243 F244 | D35-M240 HydrophobicContact CB-CE 3.99Å; D35-M240 WeakPolarHBondContact OD1-CE 3.5Å; Q38-M240 HydrophobicContact CB-CE 4.13Å; Q38-M240 HydrophobicContact CB-SD 3.83Å; K39-M240 HydrophobicContact CG-CG 4.4Å; K39-M240 HydrophobicContact CG-SD 4.11Å; A236-M240 PolarHBondContact O-N 2.83Å; M237-M240 PolarHBondContact O-N 3.31Å; M240-K242 VanDerWaalsContact C-N 3.33Å; M240-K242 PolarHBondContact O-N 3.14Å; M240-S243 PolarHBondContact O-N 3.32Å; M240-S243 PolarHBondContact O-OG 3.06Å; M240-F244 PolarHBondContact O-N 3.44Å; M240-F244 VanDerWaalsContact O-N 3.17Å |
| 241 | W | 91.3 | Very high | 95.1 | Very high | 63 Ų | 63 | 64.8 Ų | 64.8 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | -175.6 | -162.5 | -1.6 | 0 | 0 | 0 | 112.3 | I42 D182 H185 M237 Y238 S243 F244 | I42-W241 HydrophobicContact CG2-CD2 4.47Å; I42-W241 HydrophobicContact CG2-CZ2 4.48Å; D182-W241 HydrophobicContact CB-CZ3 4.35Å; H185-W241 HydrophobicContact CB-CE3 4.48Å; H185-W241 HydrophobicContact CB-CH2 4.42Å; H185-W241 HydrophobicContact CB-CZ3 4.01Å; H185-W241 AromaticContact CD2-CH2 3.73Å; H185-W241 AromaticContact CE1-CH2 3.53Å; H185-W241 AromaticContact CG-CH2 3.61Å; H185-W241 AromaticContact CG-CZ3 3.66Å; H185-W241 AromaticContact ND1-CH2 3.49Å; H185-W241 WeakPolarHBondContact ND1-CH2 3.34Å; H185-W241 AromaticContact ND1-CZ3 3.64Å; H185-W241 AromaticContact NE2-CH2 3.7Å; M237-W241 HydrophobicContact CE-CE3 4.4Å; M237-W241 VanDerWaalsContact O-CB 3.3Å; M237-W241 WeakPolarHBondContact O-CB 3.13Å; M237-W241 PolarHBondContact O-N 2.99Å; Y238-W241 HydrophobicContact CD1-CE3 4.46Å; Y238-W241 PolarHBondContact O-N 3.47Å; W241-S243 PolarHBondContact O-N 3.16Å; W241-F244 PolarHBondContact O-N 3.36Å; W241-F244 VanDerWaalsContact O-N 3.14Å |
| 242 | K | 93.1 | Very high | 95 | Very high | 195 Ų | 195 | 66.5 Ų | 66.5 | 85% | 0.848 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -31.9 | 175 | -176.2 | 178.9 | 178.4 | -177.4 | 0 | 112.8 | Y238 M240 | Y238-K242 VanDerWaalsContact O-CB 3.29Å; Y238-K242 WeakPolarHBondContact O-CB 3.41Å; Y238-K242 PolarHBondContact O-N 3.48Å; M240-K242 VanDerWaalsContact C-N 3.33Å; M240-K242 PolarHBondContact O-N 3.14Å |
| 243 | S | 92 | Very high | 94.8 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 57% | 0.573 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -89.6 | -9.8 | 179.5 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | M240 W241 D245 | M240-S243 PolarHBondContact O-N 3.32Å; M240-S243 PolarHBondContact O-OG 3.06Å; W241-S243 PolarHBondContact O-N 3.16Å; S243-D245 PolarHBondContact O-N 3.21Å |
| 244 | F | 94.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | trans | -88.6 | 109.3 | -171 | 178.2 | -145.2 | 0 | 0 | 0 | 111.8 | K39 I42 M240 W241 E246 E249 M250 L253 | K39-F244 HydrophobicContact CB-CD1 4.38Å; K39-F244 HydrophobicContact CB-CD2 4.28Å; K39-F244 HydrophobicContact CB-CE1 3.97Å; K39-F244 HydrophobicContact CB-CE2 3.88Å; K39-F244 HydrophobicContact CB-CZ 3.71Å; K39-F244 HydrophobicContact CD-CD2 3.66Å; K39-F244 HydrophobicContact CD-CE2 3.88Å; K39-F244 HydrophobicContact CD-CG 4.17Å; K39-F244 HydrophobicContact CG-CD1 4.09Å; K39-F244 HydrophobicContact CG-CD2 3.82Å; K39-F244 HydrophobicContact CG-CE1 4.19Å; K39-F244 HydrophobicContact CG-CE2 3.95Å; K39-F244 HydrophobicContact CG-CG 3.9Å; K39-F244 HydrophobicContact CG-CZ 4.13Å; I42-F244 HydrophobicContact CG2-CD1 4.43Å; I42-F244 HydrophobicContact CG2-CE1 4.3Å; M240-F244 PolarHBondContact O-N 3.44Å; M240-F244 VanDerWaalsContact O-N 3.17Å; W241-F244 PolarHBondContact O-N 3.36Å; W241-F244 VanDerWaalsContact O-N 3.14Å; F244-E246 HydrophobicContact CD1-CG 4Å; F244-E246 HydrophobicContact CE1-CG 3.53Å; F244-E246 HydrophobicContact CE2-CG 4.4Å; F244-E246 HydrophobicContact CZ-CB 4.4Å; F244-E246 HydrophobicContact CZ-CG 3.75Å; F244-E246 PolarHBondContact O-N 3Å; F244-E249 WeakPolarHBondContact CA-OE1 3.35Å; F244-E249 HydrophobicContact CD2-CB 4.21Å; F244-E249 HydrophobicContact CE2-CB 3.91Å; F244-M250 HydrophobicContact CE2-CG 4.26Å; F244-M250 HydrophobicContact CE2-SD 4.26Å; F244-M250 HydrophobicContact CZ-CG 3.87Å; F244-M250 HydrophobicContact CZ-SD 3.65Å; F244-L253 HydrophobicContact CE2-CD1 4.32Å | ||
| 245 | D | 94.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | trans | -93.7 | 89.4 | 172.3 | -172.3 | -19.2 | 0 | 0 | 0 | 109.5 | S243 K247 K248 E249 | S243-D245 PolarHBondContact O-N 3.21Å; D245-K247 PolarHBondContact O-N 2.98Å; D245-K247 PolarHBondContact OD1-N 2.92Å; D245-K248 HydrophobicContact CB-CB 4.32Å; D245-K248 PolarHBondContact O-N 2.92Å; D245-K248 WeakPolarHBondContact OD2-CD 3.43Å; D245-K248 WeakPolarHBondContact OD2-CE 3.38Å; D245-K248 WeakPolarHBondContact OD2-CG 3.34Å; D245-K248 IonicContact OD2-NZ 2.87Å; D245-K248 PolarHBondContact OD2-NZ 3.45Å; D245-E249 PolarHBondContact N-OE1 3.31Å; D245-E249 WeakPolarHBondContact O-CB 3.24Å; D245-E249 PolarHBondContact O-N 3.49Å | ||
| 246 | E | 92.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -48 | -39.7 | -178.1 | -71.7 | -176.7 | -179 | 0 | 0 | 112.7 | F43 N46 F244 K248 M250 | F43-E246 HydrophobicContact CD2-CB 4.39Å; F43-E246 HydrophobicContact CD2-CG 4.28Å; N46-E246 PolarHBondContact ND2-OE1 3.16Å; F244-E246 HydrophobicContact CD1-CG 4Å; F244-E246 HydrophobicContact CE1-CG 3.53Å; F244-E246 HydrophobicContact CE2-CG 4.4Å; F244-E246 HydrophobicContact CZ-CB 4.4Å; F244-E246 HydrophobicContact CZ-CG 3.75Å; F244-E246 PolarHBondContact O-N 3Å; E246-K248 VanDerWaalsContact C-N 3.34Å; E246-K248 PolarHBondContact O-N 3.46Å; E246-M250 HydrophobicContact CB-CG 4.36Å; E246-M250 WeakPolarHBondContact O-CB 3.35Å; E246-M250 VanDerWaalsContact O-CG 3.25Å; E246-M250 WeakPolarHBondContact O-CG 3.45Å; E246-M250 PolarHBondContact O-N 2.63Å; E246-M250 VanDerWaalsContact O-N 3.13Å |
| 247 | K | 91.8 | Very high | 94.1 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.1 | -31.7 | -175 | -69.3 | 172.9 | 175.9 | 179.1 | 0 | 112.4 | N122 D245 | N122-K247 HydrophobicContact CB-CB 4.38Å; N122-K247 HydrophobicContact CB-CG 4.4Å; D245-K247 PolarHBondContact O-N 2.98Å; D245-K247 PolarHBondContact OD1-N 2.92Å |
| 248 | K | 92.5 | Very high | 93.6 | Very high | 159 Ų | 159 | 64.9 Ų | 64.9 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -93.3 | -38.9 | -178.4 | -67.4 | -175.4 | -167.7 | 133.6 | 0 | 112.5 | D245 E246 | D245-K248 HydrophobicContact CB-CB 4.32Å; D245-K248 PolarHBondContact O-N 2.92Å; D245-K248 WeakPolarHBondContact OD2-CD 3.43Å; D245-K248 WeakPolarHBondContact OD2-CE 3.38Å; D245-K248 WeakPolarHBondContact OD2-CG 3.34Å; D245-K248 IonicContact OD2-NZ 2.87Å; D245-K248 PolarHBondContact OD2-NZ 3.45Å; E246-K248 VanDerWaalsContact C-N 3.34Å; E246-K248 PolarHBondContact O-N 3.46Å |
| 249 | E | 95.7 | Very high | 93 | Very high | 52 Ų | 52 | 69.7 Ų | 69.7 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -86.8 | -39.5 | -171.5 | -68.2 | 180 | -109.2 | 0 | 0 | 112.2 | K39 F244 D245 A252 L253 | K39-E249 IonicContact NZ-OE2 3.22Å; K39-E249 PolarHBondContact NZ-OE2 3.02Å; F244-E249 WeakPolarHBondContact CA-OE1 3.35Å; F244-E249 HydrophobicContact CD2-CB 4.21Å; F244-E249 HydrophobicContact CE2-CB 3.91Å; D245-E249 PolarHBondContact N-OE1 3.31Å; D245-E249 WeakPolarHBondContact O-CB 3.24Å; D245-E249 PolarHBondContact O-N 3.49Å; E249-A252 PolarHBondContact O-N 2.93Å; E249-A252 VanDerWaalsContact O-N 3.1Å; E249-L253 WeakPolarHBondContact O-CG 3.46Å; E249-L253 PolarHBondContact O-N 3.03Å |
| 250 | M | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | -175.1 | -72.1 | -63.4 | -53.2 | 0 | 0 | 114.8 | V40 F43 V123 F244 E246 A252 L253 L254 | V40-M250 HydrophobicContact CG2-CE 4.49Å; F43-M250 HydrophobicContact CB-CE 3.75Å; F43-M250 HydrophobicContact CB-CG 4.19Å; F43-M250 HydrophobicContact CB-SD 3.56Å; F43-M250 VanDerWaalsContact CB-SD 3.56Å; F43-M250 HydrophobicContact CD1-CE 3.41Å; F43-M250 VanDerWaalsContact CD1-CE 3.41Å; F43-M250 HydrophobicContact CD1-SD 4.29Å; F43-M250 HydrophobicContact CD2-CB 4.48Å; F43-M250 HydrophobicContact CD2-CE 4.1Å; F43-M250 HydrophobicContact CD2-CG 3.55Å; F43-M250 HydrophobicContact CD2-SD 4.05Å; F43-M250 HydrophobicContact CE1-CE 4.01Å; F43-M250 HydrophobicContact CE2-CG 4.03Å; F43-M250 HydrophobicContact CG-CE 3.46Å; F43-M250 VanDerWaalsContact CG-CE 3.46Å; F43-M250 HydrophobicContact CG-CG 3.85Å; F43-M250 HydrophobicContact CG-SD 3.7Å; V123-M250 HydrophobicContact CB-CB 4.48Å; V123-M250 HydrophobicContact CG1-CB 3.66Å; V123-M250 HydrophobicContact CG2-CB 3.95Å; F244-M250 HydrophobicContact CE2-CG 4.26Å; F244-M250 HydrophobicContact CE2-SD 4.26Å; F244-M250 HydrophobicContact CZ-CG 3.87Å; F244-M250 HydrophobicContact CZ-SD 3.65Å; E246-M250 HydrophobicContact CB-CG 4.36Å; E246-M250 WeakPolarHBondContact O-CB 3.35Å; E246-M250 VanDerWaalsContact O-CG 3.25Å; E246-M250 WeakPolarHBondContact O-CG 3.45Å; E246-M250 PolarHBondContact O-N 2.63Å; E246-M250 VanDerWaalsContact O-N 3.13Å; M250-A252 PolarHBondContact O-N 3.3Å; M250-L253 PolarHBondContact O-N 3.18Å; M250-L253 VanDerWaalsContact O-N 3.13Å; M250-L253 HydrophobicContact SD-CB 4.42Å; M250-L253 HydrophobicContact SD-CD1 3.85Å; M250-L254 HydrophobicContact CE-CD2 3.9Å; M250-L254 HydrophobicContact CE-CG 4Å; M250-L254 WeakPolarHBondContact O-CB 3.49Å; M250-L254 VanDerWaalsContact O-CG 3.29Å; M250-L254 WeakPolarHBondContact O-CG 3.41Å; M250-L254 PolarHBondContact O-N 3.1Å |
| 251 | P | 94.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.6 | -39.7 | 175.6 | -27.1 | 35.1 | 0 | 0 | 0 | 113.2 | Q255 | P251-Q255 WeakPolarHBondContact O-CG 3.28Å; P251-Q255 PolarHBondContact O-N 3.29Å |
| 252 | A | 94.1 | Very high | 89 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.4 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E249 M250 Q255 K256 | E249-A252 PolarHBondContact O-N 2.93Å; E249-A252 VanDerWaalsContact O-N 3.1Å; M250-A252 PolarHBondContact O-N 3.3Å; A252-Q255 PolarHBondContact O-N 3.45Å; A252-K256 PolarHBondContact O-N 3.47Å |
| 253 | L | 95.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.7 | -65.1 | 180 | 0 | 0 | 0 | 112.1 | D36 K39 V40 F244 E249 M250 Q255 K256 M257 | D36-L253 HydrophobicContact CB-CD2 3.64Å; D36-L253 WeakPolarHBondContact OD2-CD2 3.47Å; K39-L253 HydrophobicContact CB-CD1 3.92Å; K39-L253 HydrophobicContact CD-CD1 4.23Å; V40-L253 HydrophobicContact CG2-CB 4.19Å; V40-L253 HydrophobicContact CG2-CD1 4.42Å; F244-L253 HydrophobicContact CE2-CD1 4.32Å; E249-L253 WeakPolarHBondContact O-CG 3.46Å; E249-L253 PolarHBondContact O-N 3.03Å; M250-L253 PolarHBondContact O-N 3.18Å; M250-L253 VanDerWaalsContact O-N 3.13Å; M250-L253 HydrophobicContact SD-CB 4.42Å; M250-L253 HydrophobicContact SD-CD1 3.85Å; L253-Q255 PolarHBondContact O-N 3.5Å; L253-K256 PolarHBondContact O-N 3.17Å; L253-K256 VanDerWaalsContact O-N 3.14Å; L253-M257 WeakPolarHBondContact O-CB 3.15Å; L253-M257 PolarHBondContact O-N 3.37Å |
| 254 | L | 94.1 | Very high | 83.4 | Confident | 25 Ų | 25 | 79.8 Ų | 79.8 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.2 | -26.7 | 177 | -67.8 | 177.6 | 0 | 0 | 0 | 112.9 | F44 V123 Y124 M250 M257 | F44-L254 HydrophobicContact CE2-CD2 4.21Å; F44-L254 HydrophobicContact CZ-CD2 4Å; V123-L254 HydrophobicContact CG1-CD1 3.48Å; V123-L254 VanDerWaalsContact CG1-CD1 3.48Å; Y124-L254 HydrophobicContact CE1-CD1 3.87Å; Y124-L254 HydrophobicContact CE2-CD1 4.16Å; M250-L254 HydrophobicContact CE-CD2 3.9Å; M250-L254 HydrophobicContact CE-CG 4Å; M250-L254 WeakPolarHBondContact O-CB 3.49Å; M250-L254 VanDerWaalsContact O-CG 3.29Å; M250-L254 WeakPolarHBondContact O-CG 3.41Å; M250-L254 PolarHBondContact O-N 3.1Å; L254-M257 HydrophobicContact CD2-CE 4.11Å; L254-M257 HydrophobicContact CD2-SD 4.33Å |
| 255 | Q | 92.5 | Very high | 80.6 | Confident | 153 Ų | 153 | 84.2 Ų | 84.2 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.2 | -37.4 | 173.5 | -72 | 176.5 | 10.8 | 0 | 0 | 112.4 | P251 A252 L253 | P251-Q255 WeakPolarHBondContact O-CG 3.28Å; P251-Q255 PolarHBondContact O-N 3.29Å; A252-Q255 PolarHBondContact O-N 3.45Å; L253-Q255 PolarHBondContact O-N 3.5Å |
| 256 | K | 93.4 | Very high | 77.5 | Confident | 113 Ų | 113 | 92.9 Ų | 92.9 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.5 | -28.1 | 175.3 | -64.4 | 179.9 | -173.8 | 176 | 0 | 112.7 | I31 L32 D36 A252 L253 | I31-K256 WeakPolarHBondContact CG2-O 3.38Å; L32-K256 HydrophobicContact CD2-CB 3.78Å; D36-K256 IonicContact OD2-NZ 3.58Å; A252-K256 PolarHBondContact O-N 3.47Å; L253-K256 PolarHBondContact O-N 3.17Å; L253-K256 VanDerWaalsContact O-N 3.14Å |
| 257 | M | 92.9 | Very high | 74.7 | Confident | 12 Ų | 12 | 96.9 Ų | 96.9 | 6% | 0.059 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -56.8 | 132.5 | -175.3 | -170.6 | 175.9 | 74.2 | 0 | 0 | 110.8 | V40 F44 L78 P83 L253 L254 K259 | V40-M257 HydrophobicContact CG1-SD 4.07Å; F44-M257 HydrophobicContact CE2-SD 4.46Å; L78-M257 HydrophobicContact CB-CG 4.16Å; L78-M257 HydrophobicContact CB-SD 4.48Å; L78-M257 HydrophobicContact CD1-CG 4.07Å; L78-M257 HydrophobicContact CD1-SD 4.38Å; P83-M257 HydrophobicContact CG-CE 4.18Å; P83-M257 HydrophobicContact CG-SD 3.94Å; L253-M257 WeakPolarHBondContact O-CB 3.15Å; L253-M257 PolarHBondContact O-N 3.37Å; L254-M257 HydrophobicContact CD2-CE 4.11Å; L254-M257 HydrophobicContact CD2-SD 4.33Å; M257-K259 PolarHBondContact O-N 3.41Å; M257-K259 VanDerWaalsContact O-N 3.17Å |
| 258 | P | 87 | Confident | 72.2 | Confident | 15 Ų | 15 | 96.1 Ų | 96.1 | 10% | 0.097 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 120.9 | 174.6 | -26.7 | 36.3 | 0 | 0 | 0 | 111 | I31 K79 | I31-P258 HydrophobicContact CD1-CG 3.69Å; I31-P258 HydrophobicContact CG2-CG 4.3Å; K79-P258 HydrophobicContact CB-CB 3.73Å |
| 259 | K | 84.2 | Confident | 69.7 | Low | 150 Ų | 150 | 94 Ų | 94 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 140.4 | -176.8 | -65 | -172.5 | -179.6 | -178.4 | 0 | 111.7 | M257 | M257-K259 PolarHBondContact O-N 3.41Å; M257-K259 VanDerWaalsContact O-N 3.17Å |
| 260 | P | 78.9 | Confident | 66.9 | Low | 39 Ų | 39 | 95.2 Ų | 95.2 | 25% | 0.253 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 141.7 | 168.6 | -21.1 | 32.1 | 0 | 0 | 0 | 111.6 | K79 D82 T262 | K79-P260 WeakPolarHBondContact O-CA 3.18Å; K79-P260 WeakPolarHBondContact O-CB 3.31Å; D82-P260 HydrophobicContact CB-CG 4.04Å; P260-T262 PolarHBondContact O-N 3.49Å |
| 261 | K | 64.4 | Low | 64.2 | Low | 204 Ų | 204 | 103.9 Ų | 103.9 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | trans | -66 | 101.3 | 169.6 | -70.1 | -176.7 | 179.3 | 179.5 | 0 | 107 | Q263 | K261-Q263 PolarHBondContact O-N 3.07Å; K261-Q263 VanDerWaalsContact O-N 3.11Å | ||
| 262 | T | 55 | Low | 61.6 | Low | 126 Ų | 126 | 108.9 Ų | 108.9 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116.9 | 167.2 | 41.6 | 0 | 0 | 0 | 0 | 107 | P260 P264 | P260-T262 PolarHBondContact O-N 3.49Å; T262-P264 WeakPolarHBondContact O-CD 3.39Å; T262-P264 VanDerWaalsContact O-N 3.16Å |
| 263 | Q | 36 | Very low | 58.9 | Low | 184 Ų | 184 | 114.4 Ų | 114.4 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.3 | 163 | -87.7 | -176 | -1.5 | 0 | 0 | 106 | K261 S265 | K261-Q263 PolarHBondContact O-N 3.07Å; K261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-S265 PolarHBondContact O-N 3.12Å |
| 264 | P | 32.7 | Very low | 56.3 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.8 | 177.3 | 21.2 | -28.5 | 0 | 0 | 0 | 106.7 | T262 R266 | T262-P264 WeakPolarHBondContact O-CD 3.39Å; T262-P264 VanDerWaalsContact O-N 3.16Å; P264-R266 PolarHBondContact O-N 3Å |
| 265 | S | 34.7 | Very low | 53.5 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -42.6 | 116.8 | 171.3 | 47.2 | 0 | 0 | 0 | 0 | 107.6 | Q263 P267 | Q263-S265 PolarHBondContact O-N 3.12Å; S265-P267 VanDerWaalsContact O-N 3.08Å | ||
| 266 | R | 28.8 | Very low | 50.7 | Low | 239 Ų | 239 | 125.2 Ų | 125.2 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -43.7 | 121.9 | 177.8 | -120.9 | 177.1 | 179.8 | 174.3 | -0.7 | 107.4 | P264 S268 | P264-R266 PolarHBondContact O-N 3Å; R266-S268 PolarHBondContact O-N 3.08Å; R266-S268 VanDerWaalsContact O-N 3.09Å | ||
| 267 | P | 34.4 | Very low | 48.4 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | trans | -57.2 | 125.5 | -180 | 21.6 | -29.6 | 0 | 0 | 0 | 106.9 | S265 S269 | S265-P267 VanDerWaalsContact O-N 3.08Å; P267-S269 PolarHBondContact O-N 3.28Å | ||
| 268 | S | 38.1 | Very low | 45.7 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -43.9 | 117.9 | 171.4 | 42.5 | 0 | 0 | 0 | 0 | 107.4 | R266 A270 | R266-S268 PolarHBondContact O-N 3.08Å; R266-S268 VanDerWaalsContact O-N 3.09Å; S268-A270 PolarHBondContact O-N 3.08Å | ||
| 269 | S | 39.8 | Very low | 43.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -54.9 | 93.1 | 173.2 | 45.5 | 0 | 0 | 0 | 0 | 108 | P267 M271 | P267-S269 PolarHBondContact O-N 3.28Å; S269-M271 PolarHBondContact O-N 3.09Å | ||
| 270 | A | 38.5 | Very low | 40.8 | Very low | 77 Ų | 77 | 138 Ų | 138 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 97.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | S268 D272 | S268-A270 PolarHBondContact O-N 3.08Å; A270-D272 PolarHBondContact O-N 3.05Å | ||
| 271 | M | 37.9 | Very low | 38.7 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -65.4 | 88.9 | 157.1 | -93.7 | 174.1 | 164.5 | 0 | 0 | 105.5 | S269 N273 | S269-M271 PolarHBondContact O-N 3.09Å; M271-N273 PolarHBondContact O-N 2.59Å; M271-N273 VanDerWaalsContact O-N 3.17Å | ||
| 272 | D | 40.1 | Very low | 37.4 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -60 | 114 | 166.3 | -84 | -35.5 | 0 | 0 | 0 | 107.8 | A270 A274 | A270-D272 PolarHBondContact O-N 3.05Å; D272-A274 PolarHBondContact O-N 2.8Å | ||
| 273 | N | 37.5 | Very low | 36.6 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 86.8 | 164.5 | -88.5 | -25.7 | 0 | 0 | 0 | 109.1 | M271 N275 | M271-N273 PolarHBondContact O-N 2.59Å; M271-N273 VanDerWaalsContact O-N 3.17Å; N273-N275 VanDerWaalsContact C-N 3.28Å; N273-N275 PolarHBondContact O-N 2.81Å; N273-N275 VanDerWaalsContact O-N 3.11Å | ||
| 274 | A | 41 | Very low | 37 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 81.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | D272 N276 | D272-A274 PolarHBondContact O-N 2.8Å; A274-N276 PolarHBondContact O-N 2.52Å | ||
| 275 | N | 35.7 | Very low | 37.6 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -53.1 | 114.6 | 151.9 | -118.6 | 2.6 | 0 | 0 | 0 | 107.3 | N273 | N273-N275 VanDerWaalsContact C-N 3.28Å; N273-N275 PolarHBondContact O-N 2.81Å; N273-N275 VanDerWaalsContact O-N 3.11Å | ||
| 276 | N | 34.5 | Very low | 38.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -136.4 | 125.1 | 163.8 | -143.6 | 14.6 | 0 | 0 | 0 | 109.8 | A274 | A274-N276 PolarHBondContact O-N 2.52Š| ||
| 277 | P | 43.6 | Very low | 38.4 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -93.7 | 155.4 | -163.9 | 33.9 | -26.2 | 0 | 0 | 0 | 113.4 | ||||
| 278 | D | 36.4 | Very low | 38.9 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 83% | 0.832 | S | S | * | * | trans | 41.1 | 88.1 | 150.2 | -61.9 | -31.1 | 0 | 0 | 0 | 118.4 | ||||
| 279 | C | 34.8 | Very low | 39 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 94% | 0.939 | 84% | 0.836 | S | S | * | * | trans | -94.9 | 85 | 151.9 | -79.2 | 0 | 0 | 0 | 0 | 109.6 | G281 | C279-G281 PolarHBondContact O-N 3.42Š| ||
| 280 | H | 34.7 | Very low | 38.9 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -71.2 | 102.5 | 161.7 | -88.6 | -58.8 | 0 | 0 | 0 | 109.4 | ||||
| 281 | G | 34.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 85% | 0.849 | S | S | * | * | trans | -126.9 | 86.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C279 | C279-G281 PolarHBondContact O-N 3.42Š| ||
| 282 | Q | 36.8 | Very low | 39 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 90% | 0.897 | 85% | 0.846 | S | S | * | * | trans | 31.7 | 113.7 | 148.9 | -69.1 | 171.4 | -7.2 | 0 | 0 | 119.7 | ||||
| 283 | Q | 38.7 | Very low | 38.9 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.6 | 162.5 | -76.1 | 171.7 | -57.8 | 0 | 0 | 111.5 | ||
| 284 | P | 43.8 | Very low | 39 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 132.9 | 171.4 | 31.5 | -31.1 | 0 | 0 | 0 | 111 | ||
| 285 | T | 44.4 | Very low | 38.9 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127.8 | 172.3 | 40.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 286 | P | 47.4 | Very low | 39.1 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.4 | 173.9 | 30.2 | -30.3 | 0 | 0 | 0 | 109.9 | ||
| 287 | S | 34.5 | Very low | 39.5 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 137.5 | 172.9 | 24 | 0 | 0 | 0 | 0 | 109.3 | ||
| 288 | S | 44.6 | Very low | 39.2 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 100% | 1.392 | 87% | 0.874 | S | S | * | * | trans | 92.1 | 0 | 178.9 | -38.7 | 0 | 0 | 0 | 0 | 115.8 |
Retrieved 288 of 288 residues in 667.4 ms
(Link to these results)