| 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 | 31.4 | Very low | 71.7 | Confident | 250 Ų | 250 | 128.5 Ų | 128.5 | 100% | 1.232 | 64% | 0.643 | S | S | * | * | 0 | 82.8 | 0 | -84.8 | 179.3 | 172.6 | 0 | 0 | 105.6 | |||||
| 2 | E | 41.4 | Very low | 73.1 | Confident | 192 Ų | 192 | 119.6 Ų | 119.6 | 90% | 0.897 | 60% | 0.599 | S | S | * | * | trans | -81.4 | 135.2 | 173.8 | -79 | 171.5 | 165.5 | 0 | 0 | 108.2 | E4 | E2-E4 PolarHBondContact O-N 3.35Š| ||
| 3 | C | 43 | Very low | 74.3 | Confident | 136 Ų | 136 | 121.3 Ų | 121.3 | 92% | 0.919 | 60% | 0.604 | S | S | * | * | trans | -68.6 | 100.9 | 176.9 | -122 | 0 | 0 | 0 | 0 | 107.8 | W5 | C3-W5 PolarHBondContact O-N 3.14Š| ||
| 4 | E | 67.1 | Low | 75.3 | Confident | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -59 | 119 | 169.5 | -77.5 | 177.1 | 161.1 | 0 | 0 | 108.9 | E2 | E2-E4 PolarHBondContact O-N 3.35Š| ||
| 5 | W | 85.7 | Confident | 76.3 | Confident | 57 Ų | 57 | 114.1 Ų | 114.1 | 22% | 0.216 | 57% | 0.566 | C | S | . | * | trans | -57.1 | 138.3 | 171.5 | 178.7 | 93.4 | 0 | 0 | 0 | 109.8 | C3 P7 D45 N48 Y49 F52 F90 | C3-W5 PolarHBondContact O-N 3.14Å; W5-P7 HydrophobicContact CH2-CB 3.72Å; W5-P7 HydrophobicContact CH2-CG 4.48Å; W5-P7 HydrophobicContact CZ2-CB 4.47Å; W5-P7 HydrophobicContact CZ3-CB 4.05Å; W5-P7 HydrophobicContact CZ3-CG 4.32Å; W5-D45 PolarHBondContact NE1-OD1 3.17Å; W5-N48 VanDerWaalsContact CD1-ND2 3.28Å; W5-N48 HydrophobicContact CD2-CB 3.71Å; W5-N48 HydrophobicContact CE3-CB 4.14Å; W5-N48 HydrophobicContact CG-CB 4.28Å; W5-N48 HydrophobicContact CH2-CB 3.86Å; W5-N48 HydrophobicContact CZ2-CB 3.4Å; W5-N48 HydrophobicContact CZ3-CB 4.21Å; W5-N48 PolarHBondContact NE1-ND2 3.04Å; W5-Y49 HydrophobicContact CH2-CD1 4.04Å; W5-Y49 HydrophobicContact CH2-CD2 4.19Å; W5-Y49 HydrophobicContact CH2-CE1 4.22Å; W5-Y49 HydrophobicContact CH2-CE2 4.35Å; W5-Y49 HydrophobicContact CH2-CG 4.02Å; W5-Y49 HydrophobicContact CZ2-CD1 4.38Å; W5-Y49 AromaticContact CZ2-CD2 3.81Å; W5-Y49 HydrophobicContact CZ2-CD2 3.81Å; W5-Y49 HydrophobicContact CZ2-CE1 4.32Å; W5-Y49 AromaticContact CZ2-CE2 3.74Å; W5-Y49 HydrophobicContact CZ2-CE2 3.74Å; W5-Y49 HydrophobicContact CZ2-CG 4.12Å; W5-Y49 AromaticContact CZ2-CZ 4Å; W5-F52 HydrophobicContact CH2-CB 4.23Å; W5-F52 HydrophobicContact CZ3-CB 3.78Å; W5-F52 AromaticContact CZ3-CD2 3.85Å; W5-F52 HydrophobicContact CZ3-CD2 3.85Å; W5-F52 AromaticContact CZ3-CG 3.94Å; W5-F52 HydrophobicContact CZ3-CG 3.94Å; W5-F90 HydrophobicContact CD2-CE1 4.34Å; W5-F90 AromaticContact CE3-CE1 3.72Å; W5-F90 HydrophobicContact CE3-CE1 3.72Å; W5-F90 AromaticContact CE3-CZ 3.81Å; W5-F90 HydrophobicContact CE3-CZ 3.81Å; W5-F90 HydrophobicContact CZ3-CE1 4.18Å; W5-F90 HydrophobicContact CZ3-CZ 4.36Å | ||
| 6 | K | 85.3 | Confident | 77.2 | Confident | 162 Ų | 162 | 108.4 Ų | 108.4 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | trans | -131.7 | 137.1 | 177 | -70.7 | -170.6 | 177.7 | -175.7 | 0 | 110 | ||||
| 7 | P | 88.3 | Confident | 78 | Confident | 36 Ų | 36 | 108.5 Ų | 108.5 | 23% | 0.234 | 54% | 0.536 | C | S | . | . | trans | -69.1 | 144.7 | 176.3 | 30 | -34.8 | 0 | 0 | 0 | 110.4 | W5 L12 Y49 F52 | W5-P7 HydrophobicContact CH2-CB 3.72Å; W5-P7 HydrophobicContact CH2-CG 4.48Å; W5-P7 HydrophobicContact CZ2-CB 4.47Å; W5-P7 HydrophobicContact CZ3-CB 4.05Å; W5-P7 HydrophobicContact CZ3-CG 4.32Å; P7-L12 HydrophobicContact CB-CB 4.5Å; P7-Y49 HydrophobicContact CB-CD1 4.14Å; P7-Y49 HydrophobicContact CB-CE1 3.61Å; P7-F52 HydrophobicContact CG-CD1 4.16Å; P7-F52 HydrophobicContact CG-CD2 4.31Å; P7-F52 HydrophobicContact CG-CE1 3.77Å; P7-F52 HydrophobicContact CG-CE2 3.92Å; P7-F52 HydrophobicContact CG-CG 4.43Å; P7-F52 HydrophobicContact CG-CZ 3.64Å | ||
| 8 | D | 89.9 | Confident | 78.8 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | trans | -79.5 | 135.8 | 160.6 | 175.1 | 75.9 | 0 | 0 | 0 | 109.2 | Q10 G11 L12 Y49 | D8-Q10 VanDerWaalsContact C-N 3.3Å; D8-Q10 PolarHBondContact O-N 3.05Å; D8-Q10 WeakPolarHBondContact OD2-CA 3.42Å; D8-Q10 VanDerWaalsContact OD2-CB 3.26Å; D8-Q10 WeakPolarHBondContact OD2-CB 3.04Å; D8-Q10 PolarHBondContact OD2-N 3.17Å; D8-G11 PolarHBondContact O-N 3.46Å; D8-G11 PolarHBondContact OD2-N 3.15Å; D8-L12 WeakPolarHBondContact O-CB 3.35Å; D8-L12 PolarHBondContact O-N 3.32Å; D8-Y49 PolarHBondContact N-OH 3.34Å | ||
| 9 | E | 85.6 | Confident | 79.4 | Confident | 170 Ų | 170 | 97.7 Ų | 97.7 | 79% | 0.794 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | -175.7 | -75.8 | -153.2 | 170.5 | 0 | 0 | 112.7 | L12 Q13 | E9-L12 PolarHBondContact O-N 3.32Å; E9-Q13 WeakPolarHBondContact O-CB 3.37Å; E9-Q13 PolarHBondContact O-N 2.79Å |
| 10 | Q | 85.4 | Confident | 79.9 | Confident | 137 Ų | 137 | 97.9 Ų | 97.9 | 64% | 0.64 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.6 | -41.4 | 179.3 | -167.9 | 174.7 | 14.2 | 0 | 0 | 110.6 | D8 Q13 Q14 | D8-Q10 VanDerWaalsContact C-N 3.3Å; D8-Q10 PolarHBondContact O-N 3.05Å; D8-Q10 WeakPolarHBondContact OD2-CA 3.42Å; D8-Q10 VanDerWaalsContact OD2-CB 3.26Å; D8-Q10 WeakPolarHBondContact OD2-CB 3.04Å; D8-Q10 PolarHBondContact OD2-N 3.17Å; Q10-Q13 PolarHBondContact O-N 3.08Å; Q10-Q14 WeakPolarHBondContact O-CG 3.43Å; Q10-Q14 PolarHBondContact O-N 2.82Å |
| 11 | G | 85.4 | Confident | 80.4 | Confident | 17 Ų | 17 | 95.3 Ų | 95.3 | 18% | 0.175 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D8 Q13 Q14 I15 | D8-G11 PolarHBondContact O-N 3.46Å; D8-G11 PolarHBondContact OD2-N 3.15Å; G11-Q13 VanDerWaalsContact C-N 3.33Å; G11-Q13 PolarHBondContact O-N 3.39Å; G11-Q14 PolarHBondContact O-N 2.64Å; G11-Q14 VanDerWaalsContact O-N 3.17Å; G11-I15 WeakPolarHBondContact O-CG1 3.06Å; G11-I15 PolarHBondContact O-N 3.36Å; G11-I15 VanDerWaalsContact O-N 3.08Å |
| 12 | L | 89.2 | Confident | 83.1 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.115 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 179.3 | -177.7 | 62.2 | 0 | 0 | 0 | 111.8 | P7 D8 E9 Q14 I15 L16 Y49 F52 V53 L57 | P7-L12 HydrophobicContact CB-CB 4.5Å; D8-L12 WeakPolarHBondContact O-CB 3.35Å; D8-L12 PolarHBondContact O-N 3.32Å; E9-L12 PolarHBondContact O-N 3.32Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 2.83Å; L12-I15 PolarHBondContact O-N 3.42Å; L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.21Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.95Å; L12-Y49 HydrophobicContact CB-CD1 4.29Å; L12-Y49 HydrophobicContact CB-CE1 4.08Å; L12-Y49 HydrophobicContact CD1-CD1 4.19Å; L12-F52 HydrophobicContact CD1-CD1 4.25Å; L12-F52 HydrophobicContact CD2-CE1 4.19Å; L12-V53 HydrophobicContact CD1-CG2 3.76Å; L12-L57 HydrophobicContact CD2-CD1 3.97Å |
| 13 | Q | 88.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 79.7 Ų | 79.7 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -36.5 | 178.2 | -165.9 | 171.3 | 17.5 | 0 | 0 | 112.5 | E9 Q10 G11 Q17 | E9-Q13 WeakPolarHBondContact O-CB 3.37Å; E9-Q13 PolarHBondContact O-N 2.79Å; Q10-Q13 PolarHBondContact O-N 3.08Å; G11-Q13 VanDerWaalsContact C-N 3.33Å; G11-Q13 PolarHBondContact O-N 3.39Å; Q13-Q17 WeakPolarHBondContact O-CB 3.37Å; Q13-Q17 PolarHBondContact O-N 3.28Å |
| 14 | Q | 87.8 | Confident | 87.5 | Confident | 123 Ų | 123 | 74.7 Ų | 74.7 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 175.1 | -71.1 | 179.2 | 4.5 | 0 | 0 | 112.2 | Q10 G11 L12 Q17 L18 | Q10-Q14 WeakPolarHBondContact O-CG 3.43Å; Q10-Q14 PolarHBondContact O-N 2.82Å; G11-Q14 PolarHBondContact O-N 2.64Å; G11-Q14 VanDerWaalsContact O-N 3.17Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 2.83Å; Q14-Q17 PolarHBondContact O-N 3.15Å; Q14-L18 PolarHBondContact O-N 3.14Å |
| 15 | I | 90.4 | Very high | 88.4 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177 | -60.7 | -40.2 | 0 | 0 | 0 | 111 | G11 L12 Q17 L18 L19 L40 F46 Y49 L50 | G11-I15 WeakPolarHBondContact O-CG1 3.06Å; G11-I15 PolarHBondContact O-N 3.36Å; G11-I15 VanDerWaalsContact O-N 3.08Å; L12-I15 PolarHBondContact O-N 3.42Å; I15-Q17 VanDerWaalsContact C-N 3.32Å; I15-Q17 PolarHBondContact O-N 3.01Å; I15-L18 WeakPolarHBondContact O-CB 3.32Å; I15-L18 PolarHBondContact O-N 3.3Å; I15-L19 HydrophobicContact CG2-CD1 4.04Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.01Å; I15-L40 HydrophobicContact CD1-CD1 4.12Å; I15-F46 HydrophobicContact CD1-CD2 3.68Å; I15-F46 HydrophobicContact CD1-CE2 3.53Å; I15-F46 HydrophobicContact CG1-CD2 4.32Å; I15-F46 HydrophobicContact CG1-CE2 4.21Å; I15-F46 HydrophobicContact CG2-CE2 4.23Å; I15-Y49 HydrophobicContact CG1-CD1 4.37Å; I15-Y49 HydrophobicContact CG1-CG 4.17Å; I15-L50 HydrophobicContact CG2-CD2 4.47Å |
| 16 | L | 91 | Very high | 88.7 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -39 | 176.7 | -70.7 | 175.1 | 0 | 0 | 0 | 112.4 | L12 L19 K20 V53 L57 E60 | L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.21Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.95Å; L16-L19 PolarHBondContact O-N 2.91Å; L16-K20 WeakPolarHBondContact O-CG 3.43Å; L16-K20 PolarHBondContact O-N 3.09Å; L16-V53 HydrophobicContact CD2-CG1 4.18Å; L16-V53 HydrophobicContact CD2-CG2 4.16Å; L16-L57 HydrophobicContact CD1-CD2 3.91Å; L16-L57 HydrophobicContact CD2-CD2 3.75Å; L16-L57 HydrophobicContact CG-CD2 4.36Å; L16-E60 HydrophobicContact CD1-CG 4.48Å; L16-E60 HydrophobicContact CD2-CG 3.81Å |
| 17 | Q | 90.5 | Very high | 88.8 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 173.9 | -178 | 175 | -10.1 | 0 | 0 | 111.1 | Q13 Q14 I15 L19 K20 E21 | Q13-Q17 WeakPolarHBondContact O-CB 3.37Å; Q13-Q17 PolarHBondContact O-N 3.28Å; Q14-Q17 PolarHBondContact O-N 3.15Å; I15-Q17 VanDerWaalsContact C-N 3.32Å; I15-Q17 PolarHBondContact O-N 3.01Å; Q17-L19 PolarHBondContact O-N 3.46Å; Q17-K20 PolarHBondContact O-N 3.1Å; Q17-E21 HydrophobicContact CG-CG 4.47Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.28Å; Q17-E21 PolarHBondContact NE2-OE1 3.12Å; Q17-E21 WeakPolarHBondContact O-CG 3.4Å; Q17-E21 PolarHBondContact O-N 3.24Å |
| 18 | L | 91.5 | Very high | 88.8 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178 | -174.5 | 68.4 | 0 | 0 | 0 | 112.3 | Q14 I15 K20 E21 S22 V33 R36 L37 L40 | Q14-L18 PolarHBondContact O-N 3.14Å; I15-L18 WeakPolarHBondContact O-CB 3.32Å; I15-L18 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.47Å; L18-E21 PolarHBondContact O-N 2.76Å; L18-S22 PolarHBondContact O-N 3.47Å; L18-V33 HydrophobicContact CD1-CB 4.3Å; L18-V33 HydrophobicContact CD1-CG1 3.97Å; L18-V33 HydrophobicContact CD1-CG2 4.16Å; L18-V33 HydrophobicContact CG-CG1 4.44Å; L18-R36 HydrophobicContact CD1-CB 3.88Å; L18-L37 HydrophobicContact CD2-CD2 3.54Å; L18-L37 HydrophobicContact CD2-CG 4.05Å; L18-L37 HydrophobicContact CG-CD2 4.28Å; L18-L40 HydrophobicContact CD2-CD1 3.5Å; L18-L40 VanDerWaalsContact CD2-CD1 3.5Å |
| 19 | L | 90.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.6 | -28.7 | 176.2 | -71.3 | 173 | 0 | 0 | 0 | 113.1 | I15 L16 Q17 S22 Q23 V53 T64 L67 I71 | I15-L19 HydrophobicContact CG2-CD1 4.04Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.01Å; L16-L19 PolarHBondContact O-N 2.91Å; Q17-L19 PolarHBondContact O-N 3.46Å; L19-S22 WeakPolarHBondContact CA-OG 3.48Å; L19-S22 PolarHBondContact O-OG 3.33Å; L19-Q23 WeakPolarHBondContact O-CG 3.15Å; L19-V53 HydrophobicContact CD1-CG1 3.92Å; L19-T64 HydrophobicContact CB-CG2 4Å; L19-T64 HydrophobicContact CD1-CG2 4.22Å; L19-L67 HydrophobicContact CD2-CG 4.39Å; L19-I71 HydrophobicContact CD2-CD1 3.62Å |
| 20 | K | 89.6 | Confident | 88.6 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -78 | -39.3 | 173.4 | -73.9 | 174.8 | -177.5 | 172.7 | 0 | 111.2 | L16 Q17 L18 S22 Q23 E60 | L16-K20 WeakPolarHBondContact O-CG 3.43Å; L16-K20 PolarHBondContact O-N 3.09Å; Q17-K20 PolarHBondContact O-N 3.1Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.47Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.34Å; K20-Q23 PolarHBondContact O-N 3.46Å; K20-E60 WeakPolarHBondContact CE-OE2 3.49Å; K20-E60 IonicContact NZ-OE1 3.7Å; K20-E60 PolarHBondContact NZ-OE1 2.91Å; K20-E60 IonicContact NZ-OE2 3.71Å; K20-E60 PolarHBondContact NZ-OE2 3.08Å |
| 21 | E | 90.2 | Very high | 88.6 | Confident | 45 Ų | 45 | 67 Ų | 67 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -34.1 | 173.8 | -72.3 | 173.7 | -171.3 | 0 | 0 | 111.7 | Q17 L18 Q23 S24 T29 V33 R36 | Q17-E21 HydrophobicContact CG-CG 4.47Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.28Å; Q17-E21 PolarHBondContact NE2-OE1 3.12Å; Q17-E21 WeakPolarHBondContact O-CG 3.4Å; Q17-E21 PolarHBondContact O-N 3.24Å; L18-E21 PolarHBondContact O-N 2.76Å; E21-Q23 PolarHBondContact O-N 3.14Å; E21-S24 WeakPolarHBondContact O-CB 3.47Å; E21-S24 PolarHBondContact O-N 3.23Å; E21-S24 VanDerWaalsContact O-N 3.08Å; E21-T29 HydrophobicContact CB-CG2 4.07Å; E21-V33 HydrophobicContact CB-CG2 3.52Å; E21-R36 IonicContact OE2-NH1 2.85Å; E21-R36 PolarHBondContact OE2-NH1 2.8Å |
| 22 | S | 87.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.6 | 178.2 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | L18 L19 K20 S24 L67 | L18-S22 PolarHBondContact O-N 3.47Å; L19-S22 WeakPolarHBondContact CA-OG 3.48Å; L19-S22 PolarHBondContact O-OG 3.33Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.34Å; S22-S24 VanDerWaalsContact C-N 3.33Å; S22-L67 WeakPolarHBondContact OG-CD2 3.49Å |
| 23 | Q | 87.8 | Confident | 88.7 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1.5 | 174.4 | -62.7 | 172.6 | 10.8 | 0 | 0 | 112.7 | L19 K20 E21 T64 L67 | L19-Q23 WeakPolarHBondContact O-CG 3.15Å; K20-Q23 PolarHBondContact O-N 3.46Å; E21-Q23 PolarHBondContact O-N 3.14Å; Q23-T64 PolarHBondContact NE2-OG1 3.45Å; Q23-L67 HydrophobicContact CG-CD2 3.7Å |
| 24 | S | 89.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 22% | 0.217 | 35% | 0.347 | C | S | . | . | trans | -63.6 | 137.5 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 111 | E21 S22 D26 Q30 | E21-S24 WeakPolarHBondContact O-CB 3.47Å; E21-S24 PolarHBondContact O-N 3.23Å; E21-S24 VanDerWaalsContact O-N 3.08Å; S22-S24 VanDerWaalsContact C-N 3.33Å; S24-D26 PolarHBondContact O-N 3.13Å; S24-D26 PolarHBondContact OG-N 3.08Å; S24-Q30 WeakPolarHBondContact O-CG 3.04Å; S24-Q30 PolarHBondContact O-NE2 3.23Å | ||
| 25 | P | 86.6 | Confident | 88.4 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 80% | 0.799 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -73.1 | -8 | 171.8 | 31.5 | -35.5 | 0 | 0 | 0 | 112.9 | T27 | P25-T27 PolarHBondContact O-N 3.06Š|
| 26 | D | 91.6 | Very high | 88.3 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | trans | -79.4 | 118.1 | 180 | 174.9 | 61.4 | 0 | 0 | 0 | 112.3 | S24 S28 T29 Q30 | S24-D26 PolarHBondContact O-N 3.13Å; S24-D26 PolarHBondContact OG-N 3.08Å; D26-S28 VanDerWaalsContact C-N 3.26Å; D26-S28 PolarHBondContact O-N 3.05Å; D26-S28 WeakPolarHBondContact OD2-CB 3.46Å; D26-S28 PolarHBondContact OD2-N 2.88Å; D26-S28 PolarHBondContact OD2-OG 3.03Å; D26-T29 WeakPolarHBondContact O-CB 3.48Å; D26-T29 PolarHBondContact O-N 3.2Å; D26-T29 WeakPolarHBondContact OD2-CB 3.43Å; D26-T29 PolarHBondContact OD2-N 3.07Å; D26-T29 PolarHBondContact OD2-OG1 2.98Å; D26-Q30 PolarHBondContact O-N 3.21Å | ||
| 27 | T | 87.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 72 Ų | 72 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -33.1 | -178.5 | -47.4 | 0 | 0 | 0 | 0 | 113 | P25 Q30 R31 | P25-T27 PolarHBondContact O-N 3.06Å; T27-Q30 PolarHBondContact O-N 3.22Å; T27-R31 PolarHBondContact O-N 3.05Å; T27-R31 VanDerWaalsContact O-N 3.1Å |
| 28 | S | 88.1 | Confident | 87.8 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 57% | 0.566 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.8 | -39.3 | 179.8 | 83.4 | 0 | 0 | 0 | 0 | 111.6 | D26 R31 S32 | D26-S28 VanDerWaalsContact C-N 3.26Å; D26-S28 PolarHBondContact O-N 3.05Å; D26-S28 WeakPolarHBondContact OD2-CB 3.46Å; D26-S28 PolarHBondContact OD2-N 2.88Å; D26-S28 PolarHBondContact OD2-OG 3.03Å; S28-R31 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-N 3.32Å; S28-S32 VanDerWaalsContact O-N 3.12Å |
| 29 | T | 86.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 173.3 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | E21 D26 R31 S32 V33 | E21-T29 HydrophobicContact CB-CG2 4.07Å; D26-T29 WeakPolarHBondContact O-CB 3.48Å; D26-T29 PolarHBondContact O-N 3.2Å; D26-T29 WeakPolarHBondContact OD2-CB 3.43Å; D26-T29 PolarHBondContact OD2-N 3.07Å; D26-T29 PolarHBondContact OD2-OG1 2.98Å; T29-R31 PolarHBondContact O-N 3.23Å; T29-S32 WeakPolarHBondContact O-CB 3.49Å; T29-S32 PolarHBondContact O-N 3.22Å; T29-S32 VanDerWaalsContact O-N 3.16Å; T29-V33 HydrophobicContact CG2-CG2 4.31Å; T29-V33 WeakPolarHBondContact O-CB 3.33Å; T29-V33 VanDerWaalsContact O-CG2 3.25Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.4Å |
| 30 | Q | 84.3 | Confident | 87.3 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 177.6 | -70.5 | 177.4 | -3.9 | 0 | 0 | 112.7 | S24 D26 T27 V33 Q34 | S24-Q30 WeakPolarHBondContact O-CG 3.04Å; S24-Q30 PolarHBondContact O-NE2 3.23Å; D26-Q30 PolarHBondContact O-N 3.21Å; T27-Q30 PolarHBondContact O-N 3.22Å; Q30-V33 PolarHBondContact O-N 3.45Å; Q30-Q34 PolarHBondContact O-N 3.27Å |
| 31 | R | 85.1 | Confident | 86.8 | Confident | 178 Ų | 178 | 77.1 Ų | 77.1 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 175.1 | -72.8 | -174 | -158.4 | 175.3 | 5.5 | 112.7 | T27 S28 T29 V33 Q34 Q35 | T27-R31 PolarHBondContact O-N 3.05Å; T27-R31 VanDerWaalsContact O-N 3.1Å; S28-R31 PolarHBondContact O-N 3.09Å; T29-R31 PolarHBondContact O-N 3.23Å; R31-V33 VanDerWaalsContact C-N 3.34Å; R31-Q34 PolarHBondContact O-N 3.45Å; R31-Q35 WeakPolarHBondContact O-CG 3.42Å; R31-Q35 PolarHBondContact O-N 3.03Å; R31-Q35 VanDerWaalsContact O-N 3.15Å |
| 32 | S | 88.3 | Confident | 86.2 | Confident | 49 Ų | 49 | 82.1 Ų | 82.1 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | S28 T29 Q35 R36 | S28-S32 PolarHBondContact O-N 3.32Å; S28-S32 VanDerWaalsContact O-N 3.12Å; T29-S32 WeakPolarHBondContact O-CB 3.49Å; T29-S32 PolarHBondContact O-N 3.22Å; T29-S32 VanDerWaalsContact O-N 3.16Å; S32-Q35 PolarHBondContact O-N 3.38Å; S32-R36 WeakPolarHBondContact O-CG 3.12Å; S32-R36 PolarHBondContact O-N 2.84Å; S32-R36 VanDerWaalsContact O-N 3.09Å |
| 33 | V | 88.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 87.8 Ų | 87.8 | 2% | 0.024 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.8 | 167.4 | 0 | 0 | 0 | 0 | 111 | L18 E21 T29 Q30 R31 Q35 R36 L37 | L18-V33 HydrophobicContact CD1-CB 4.3Å; L18-V33 HydrophobicContact CD1-CG1 3.97Å; L18-V33 HydrophobicContact CD1-CG2 4.16Å; L18-V33 HydrophobicContact CG-CG1 4.44Å; E21-V33 HydrophobicContact CB-CG2 3.52Å; T29-V33 HydrophobicContact CG2-CG2 4.31Å; T29-V33 WeakPolarHBondContact O-CB 3.33Å; T29-V33 VanDerWaalsContact O-CG2 3.25Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.4Å; Q30-V33 PolarHBondContact O-N 3.45Å; R31-V33 VanDerWaalsContact C-N 3.34Å; V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 PolarHBondContact O-N 3.48Å; V33-R36 PolarHBondContact O-N 3.21Å; V33-R36 VanDerWaalsContact O-N 3.12Å; V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.23Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 3.19Å |
| 34 | Q | 84.8 | Confident | 85.4 | Confident | 125 Ų | 125 | 86.2 Ų | 86.2 | 58% | 0.584 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.2 | -46 | 179.4 | -166.8 | 117.2 | 6.1 | 0 | 0 | 111.7 | Q30 R31 R36 L37 E38 | Q30-Q34 PolarHBondContact O-N 3.27Å; R31-Q34 PolarHBondContact O-N 3.45Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.48Å; Q34-L37 PolarHBondContact O-N 2.93Å; Q34-E38 PolarHBondContact O-N 3.4Å |
| 35 | Q | 86.8 | Confident | 85.3 | Confident | 123 Ų | 123 | 88.1 Ų | 88.1 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -38.2 | 176.1 | -70.3 | 178.7 | -6.6 | 0 | 0 | 112.5 | R31 S32 V33 Q39 | R31-Q35 WeakPolarHBondContact O-CG 3.42Å; R31-Q35 PolarHBondContact O-N 3.03Å; R31-Q35 VanDerWaalsContact O-N 3.15Å; S32-Q35 PolarHBondContact O-N 3.38Å; V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 PolarHBondContact O-N 3.48Å; Q35-Q39 WeakPolarHBondContact O-CG 3.47Å; Q35-Q39 PolarHBondContact O-N 2.69Å |
| 36 | R | 88.3 | Confident | 85.6 | Confident | 114 Ų | 114 | 82.7 Ų | 82.7 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 175.7 | -75.9 | 179.9 | 178.8 | 172.2 | -0.4 | 112.1 | L18 E21 S32 V33 Q34 Q39 L40 | L18-R36 HydrophobicContact CD1-CB 3.88Å; E21-R36 IonicContact OE2-NH1 2.85Å; E21-R36 PolarHBondContact OE2-NH1 2.8Å; S32-R36 WeakPolarHBondContact O-CG 3.12Å; S32-R36 PolarHBondContact O-N 2.84Å; S32-R36 VanDerWaalsContact O-N 3.09Å; V33-R36 PolarHBondContact O-N 3.21Å; V33-R36 VanDerWaalsContact O-N 3.12Å; Q34-R36 VanDerWaalsContact C-N 3.32Å; Q34-R36 PolarHBondContact O-N 3.48Å; R36-Q39 PolarHBondContact O-N 2.74Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 3.12Å |
| 37 | L | 86.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176 | -74.4 | 171.6 | 0 | 0 | 0 | 111.1 | L18 V33 Q34 Q39 L40 N41 F46 I71 | L18-L37 HydrophobicContact CD2-CD2 3.54Å; L18-L37 HydrophobicContact CD2-CG 4.05Å; L18-L37 HydrophobicContact CG-CD2 4.28Å; V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.23Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 3.19Å; Q34-L37 PolarHBondContact O-N 2.93Å; L37-Q39 VanDerWaalsContact C-N 3.3Å; L37-Q39 PolarHBondContact O-N 3.03Å; L37-L40 PolarHBondContact O-N 3.2Å; L37-N41 WeakPolarHBondContact O-CB 3.31Å; L37-N41 PolarHBondContact O-N 3.2Å; L37-N41 PolarHBondContact O-OD1 2.88Å; L37-F46 HydrophobicContact CD2-CE1 4.3Å; L37-F46 HydrophobicContact CD2-CZ 3.81Å; L37-I71 HydrophobicContact CD1-CD1 4.2Å; L37-I71 HydrophobicContact CD2-CD1 4.2Å; L37-I71 HydrophobicContact CD2-CG2 4.23Å |
| 38 | E | 84.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.9 | -39.3 | 175.2 | -81.4 | 172.9 | 177 | 0 | 0 | 113 | Q34 | Q34-E38 PolarHBondContact O-N 3.4Å |
| 39 | Q | 85.5 | Confident | 86.3 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 175.5 | -70.2 | 172 | 17.9 | 0 | 0 | 111.9 | Q35 R36 L37 N41 Q42 | Q35-Q39 WeakPolarHBondContact O-CG 3.47Å; Q35-Q39 PolarHBondContact O-N 2.69Å; R36-Q39 PolarHBondContact O-N 2.74Å; L37-Q39 VanDerWaalsContact C-N 3.3Å; L37-Q39 PolarHBondContact O-N 3.03Å; Q39-N41 VanDerWaalsContact C-N 3.34Å; Q39-Q42 WeakPolarHBondContact O-CB 3.32Å; Q39-Q42 PolarHBondContact O-N 3.41Å |
| 40 | L | 85.8 | Confident | 86.7 | Confident | 55 Ų | 55 | 71.3 Ų | 71.3 | 29% | 0.288 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.4 | -29.8 | -179.2 | -71.9 | 171.9 | 0 | 0 | 0 | 112.8 | I15 L18 R36 L37 Q42 Y43 F46 | I15-L40 HydrophobicContact CD1-CD1 4.12Å; L18-L40 HydrophobicContact CD2-CD1 3.5Å; L18-L40 VanDerWaalsContact CD2-CD1 3.5Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 3.2Å; L40-Q42 PolarHBondContact O-N 3.4Å; L40-Q42 VanDerWaalsContact O-N 3.1Å; L40-Y43 PolarHBondContact O-N 3.36Å; L40-F46 HydrophobicContact CB-CD1 3.81Å; L40-F46 HydrophobicContact CB-CD2 4.17Å; L40-F46 HydrophobicContact CB-CE1 3.95Å; L40-F46 HydrophobicContact CB-CE2 4.32Å; L40-F46 HydrophobicContact CB-CG 3.93Å; L40-F46 HydrophobicContact CB-CZ 4.2Å; L40-F46 HydrophobicContact CD1-CD2 4.44Å; L40-F46 HydrophobicContact CD1-CE2 4.15Å; L40-F46 HydrophobicContact CD1-CZ 4.39Å; L40-F46 WeakPolarHBondContact O-CB 3.49Å |
| 41 | N | 80.3 | Confident | 87.2 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.6 | 176.2 | -76.9 | -6.7 | 0 | 0 | 0 | 113.6 | L37 Q39 Y43 F46 N75 | L37-N41 WeakPolarHBondContact O-CB 3.31Å; L37-N41 PolarHBondContact O-N 3.2Å; L37-N41 PolarHBondContact O-OD1 2.88Å; Q39-N41 VanDerWaalsContact C-N 3.34Å; N41-Y43 PolarHBondContact O-N 3.15Å; N41-F46 VanDerWaalsContact OD1-CE1 3.27Å; N41-F46 WeakPolarHBondContact OD1-CE1 3.25Å; N41-N75 PolarHBondContact ND2-OD1 3.22Å; N41-N75 VanDerWaalsContact OD1-CG 3.29Å; N41-N75 PolarHBondContact OD1-ND2 3.11Å; N41-N75 PolarHBondContact OD1-OD1 2.86Å; N41-N75 VanDerWaalsContact OD1-OD1 3.09Å |
| 42 | Q | 75.8 | Confident | 87.7 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.7 | 175.1 | -58.7 | 177.1 | 15.1 | 0 | 0 | 113 | Q39 L40 | Q39-Q42 WeakPolarHBondContact O-CB 3.32Å; Q39-Q42 PolarHBondContact O-N 3.41Å; L40-Q42 PolarHBondContact O-N 3.4Å; L40-Q42 VanDerWaalsContact O-N 3.1Å |
| 43 | Y | 82.8 | Confident | 88.1 | Confident | 148 Ų | 148 | 58.3 Ų | 58.3 | 58% | 0.58 | 27% | 0.272 | S | S | * | . | trans | -103.5 | 114.1 | -178.1 | -62.9 | -86.9 | 0 | 0 | 0 | 110.3 | L40 N41 D45 F46 | L40-Y43 PolarHBondContact O-N 3.36Å; N41-Y43 PolarHBondContact O-N 3.15Å; Y43-D45 PolarHBondContact O-N 3.28Å; Y43-D45 VanDerWaalsContact O-N 3.1Å; Y43-F46 VanDerWaalsContact O-CB 3.23Å; Y43-F46 WeakPolarHBondContact O-CB 3.32Å; Y43-F46 PolarHBondContact O-N 2.8Å | ||
| 44 | P | 77.7 | Confident | 88.5 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -32 | -178.5 | -28.3 | 35.5 | 0 | 0 | 0 | 114.4 | F46 N47 P84 V87 | P44-F46 PolarHBondContact O-N 3.47Å; P44-N47 WeakPolarHBondContact O-CB 3.16Å; P44-N47 PolarHBondContact O-N 2.88Å; P44-N47 PolarHBondContact O-ND2 3.42Å; P44-P84 VanDerWaalsContact CB-CD 3.5Å; P44-P84 HydrophobicContact CB-CG 3.72Å; P44-P84 HydrophobicContact CG-CG 3.95Å; P44-V87 HydrophobicContact CB-CG2 4.25Å |
| 45 | D | 86.9 | Confident | 89 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -25.1 | 179.9 | -161.6 | 51.4 | 0 | 0 | 0 | 113 | W5 Y43 N47 N48 Y49 | W5-D45 PolarHBondContact NE1-OD1 3.17Å; Y43-D45 PolarHBondContact O-N 3.28Å; Y43-D45 VanDerWaalsContact O-N 3.1Å; D45-N47 PolarHBondContact O-N 3.44Å; D45-N48 WeakPolarHBondContact O-CB 3.44Å; D45-N48 PolarHBondContact O-N 3.13Å; D45-N48 PolarHBondContact OD1-ND2 3.3Å; D45-N48 VanDerWaalsContact OD1-ND2 3.15Å; D45-Y49 WeakPolarHBondContact O-CD2 3.26Å; D45-Y49 PolarHBondContact O-N 2.88Å; D45-Y49 WeakPolarHBondContact OD2-CE2 3.41Å |
| 46 | F | 91.4 | Very high | 89.3 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | 174.1 | 176.3 | -129.2 | 0 | 0 | 0 | 111.6 | I15 L37 L40 N41 Y43 P44 N48 Y49 L50 | I15-F46 HydrophobicContact CD1-CD2 3.68Å; I15-F46 HydrophobicContact CD1-CE2 3.53Å; I15-F46 HydrophobicContact CG1-CD2 4.32Å; I15-F46 HydrophobicContact CG1-CE2 4.21Å; I15-F46 HydrophobicContact CG2-CE2 4.23Å; L37-F46 HydrophobicContact CD2-CE1 4.3Å; L37-F46 HydrophobicContact CD2-CZ 3.81Å; L40-F46 HydrophobicContact CB-CD1 3.81Å; L40-F46 HydrophobicContact CB-CD2 4.17Å; L40-F46 HydrophobicContact CB-CE1 3.95Å; L40-F46 HydrophobicContact CB-CE2 4.32Å; L40-F46 HydrophobicContact CB-CG 3.93Å; L40-F46 HydrophobicContact CB-CZ 4.2Å; L40-F46 HydrophobicContact CD1-CD2 4.44Å; L40-F46 HydrophobicContact CD1-CE2 4.15Å; L40-F46 HydrophobicContact CD1-CZ 4.39Å; L40-F46 WeakPolarHBondContact O-CB 3.49Å; N41-F46 VanDerWaalsContact OD1-CE1 3.27Å; N41-F46 WeakPolarHBondContact OD1-CE1 3.25Å; Y43-F46 VanDerWaalsContact O-CB 3.23Å; Y43-F46 WeakPolarHBondContact O-CB 3.32Å; Y43-F46 PolarHBondContact O-N 2.8Å; P44-F46 PolarHBondContact O-N 3.47Å; F46-N48 VanDerWaalsContact C-N 3.28Å; F46-N48 PolarHBondContact O-N 3.21Å; F46-Y49 WeakPolarHBondContact O-CB 3.46Å; F46-Y49 PolarHBondContact O-N 3.38Å; F46-Y49 VanDerWaalsContact O-N 3.14Å; F46-L50 HydrophobicContact CD1-CD1 4.13Å; F46-L50 HydrophobicContact CD2-CG 4.41Å; F46-L50 HydrophobicContact CE1-CD1 3.71Å; F46-L50 HydrophobicContact CE1-CD2 4.46Å; F46-L50 HydrophobicContact CE1-CG 4.24Å; F46-L50 HydrophobicContact CE2-CD1 4.37Å; F46-L50 HydrophobicContact CE2-CD2 3.88Å; F46-L50 HydrophobicContact CE2-CG 4Å; F46-L50 HydrophobicContact CZ-CD1 3.85Å; F46-L50 HydrophobicContact CZ-CD2 3.74Å; F46-L50 HydrophobicContact CZ-CG 3.92Å; F46-L50 PolarHBondContact O-N 3.33Å; F46-L50 VanDerWaalsContact O-N 3.08Å |
| 47 | N | 93 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -29.2 | 179.2 | -59.5 | -62.9 | 0 | 0 | 0 | 112.4 | P44 D45 L50 I51 L72 N75 F83 V87 I91 | P44-N47 WeakPolarHBondContact O-CB 3.16Å; P44-N47 PolarHBondContact O-N 2.88Å; P44-N47 PolarHBondContact O-ND2 3.42Å; D45-N47 PolarHBondContact O-N 3.44Å; N47-L50 PolarHBondContact O-N 3.4Å; N47-I51 PolarHBondContact O-N 2.92Å; N47-I51 VanDerWaalsContact O-N 3.14Å; N47-L72 HydrophobicContact CB-CD1 3.64Å; N47-N75 WeakPolarHBondContact OD1-CB 3.35Å; N47-N75 PolarHBondContact OD1-ND2 3.16Å; N47-F83 HydrophobicContact CB-CE2 4.06Å; N47-F83 HydrophobicContact CB-CZ 4.19Å; N47-F83 VanDerWaalsContact CG-CZ 3.47Å; N47-F83 WeakPolarHBondContact ND2-CZ 3.13Å; N47-V87 HydrophobicContact CB-CG1 4.08Å; N47-I91 HydrophobicContact CB-CD1 4.22Å |
| 48 | N | 93.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | 172.5 | -68 | -28 | 0 | 0 | 0 | 111.6 | W5 D45 F46 L50 I51 F52 V87 F90 | W5-N48 VanDerWaalsContact CD1-ND2 3.28Å; W5-N48 HydrophobicContact CD2-CB 3.71Å; W5-N48 HydrophobicContact CE3-CB 4.14Å; W5-N48 HydrophobicContact CG-CB 4.28Å; W5-N48 HydrophobicContact CH2-CB 3.86Å; W5-N48 HydrophobicContact CZ2-CB 3.4Å; W5-N48 HydrophobicContact CZ3-CB 4.21Å; W5-N48 PolarHBondContact NE1-ND2 3.04Å; D45-N48 WeakPolarHBondContact O-CB 3.44Å; D45-N48 PolarHBondContact O-N 3.13Å; D45-N48 PolarHBondContact OD1-ND2 3.3Å; D45-N48 VanDerWaalsContact OD1-ND2 3.15Å; F46-N48 VanDerWaalsContact C-N 3.28Å; F46-N48 PolarHBondContact O-N 3.21Å; N48-L50 VanDerWaalsContact C-N 3.34Å; N48-I51 VanDerWaalsContact O-CG2 3.24Å; N48-I51 WeakPolarHBondContact O-CG2 3.39Å; N48-F52 VanDerWaalsContact O-CB 3.23Å; N48-F52 WeakPolarHBondContact O-CB 3.13Å; N48-F52 PolarHBondContact O-N 3.4Å; N48-V87 WeakPolarHBondContact OD1-CG1 3.35Å; N48-F90 HydrophobicContact CB-CD1 4.18Å; N48-F90 HydrophobicContact CB-CE1 4.21Å; N48-F90 WeakPolarHBondContact OD1-CD1 3.33Å |
| 49 | Y | 94.7 | Very high | 90.1 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.2 | -76 | -85.8 | 0 | 0 | 0 | 111.5 | W5 P7 D8 L12 I15 D45 F46 I51 F52 V53 | W5-Y49 HydrophobicContact CH2-CD1 4.04Å; W5-Y49 HydrophobicContact CH2-CD2 4.19Å; W5-Y49 HydrophobicContact CH2-CE1 4.22Å; W5-Y49 HydrophobicContact CH2-CE2 4.35Å; W5-Y49 HydrophobicContact CH2-CG 4.02Å; W5-Y49 HydrophobicContact CZ2-CD1 4.38Å; W5-Y49 AromaticContact CZ2-CD2 3.81Å; W5-Y49 HydrophobicContact CZ2-CD2 3.81Å; W5-Y49 HydrophobicContact CZ2-CE1 4.32Å; W5-Y49 AromaticContact CZ2-CE2 3.74Å; W5-Y49 HydrophobicContact CZ2-CE2 3.74Å; W5-Y49 HydrophobicContact CZ2-CG 4.12Å; W5-Y49 AromaticContact CZ2-CZ 4Å; P7-Y49 HydrophobicContact CB-CD1 4.14Å; P7-Y49 HydrophobicContact CB-CE1 3.61Å; D8-Y49 PolarHBondContact N-OH 3.34Å; L12-Y49 HydrophobicContact CB-CD1 4.29Å; L12-Y49 HydrophobicContact CB-CE1 4.08Å; L12-Y49 HydrophobicContact CD1-CD1 4.19Å; I15-Y49 HydrophobicContact CG1-CD1 4.37Å; I15-Y49 HydrophobicContact CG1-CG 4.17Å; D45-Y49 WeakPolarHBondContact O-CD2 3.26Å; D45-Y49 PolarHBondContact O-N 2.88Å; D45-Y49 WeakPolarHBondContact OD2-CE2 3.41Å; F46-Y49 WeakPolarHBondContact O-CB 3.46Å; F46-Y49 PolarHBondContact O-N 3.38Å; F46-Y49 VanDerWaalsContact O-N 3.14Å; Y49-I51 PolarHBondContact O-N 2.8Å; Y49-F52 PolarHBondContact O-N 2.87Å; Y49-V53 WeakPolarHBondContact O-CG2 3.26Å; Y49-V53 PolarHBondContact O-N 3.49Å |
| 50 | L | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | -178.2 | -67.5 | 176 | 0 | 0 | 0 | 112.5 | I15 F46 N47 N48 L54 S68 I71 L72 | I15-L50 HydrophobicContact CG2-CD2 4.47Å; F46-L50 HydrophobicContact CD1-CD1 4.13Å; F46-L50 HydrophobicContact CD2-CG 4.41Å; F46-L50 HydrophobicContact CE1-CD1 3.71Å; F46-L50 HydrophobicContact CE1-CD2 4.46Å; F46-L50 HydrophobicContact CE1-CG 4.24Å; F46-L50 HydrophobicContact CE2-CD1 4.37Å; F46-L50 HydrophobicContact CE2-CD2 3.88Å; F46-L50 HydrophobicContact CE2-CG 4Å; F46-L50 HydrophobicContact CZ-CD1 3.85Å; F46-L50 HydrophobicContact CZ-CD2 3.74Å; F46-L50 HydrophobicContact CZ-CG 3.92Å; F46-L50 PolarHBondContact O-N 3.33Å; F46-L50 VanDerWaalsContact O-N 3.08Å; N47-L50 PolarHBondContact O-N 3.4Å; N48-L50 VanDerWaalsContact C-N 3.34Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-S68 WeakPolarHBondContact CA-OG 3.45Å; L50-S68 WeakPolarHBondContact CD2-OG 3.45Å; L50-S68 PolarHBondContact O-OG 2.61Å; L50-I71 HydrophobicContact CD1-CB 4.35Å; L50-I71 HydrophobicContact CD1-CG2 3.78Å; L50-I71 HydrophobicContact CD2-CG2 4.36Å; L50-L72 HydrophobicContact CB-CB 3.97Å; L50-L72 HydrophobicContact CB-CD2 4.47Å; L50-L72 HydrophobicContact CD1-CB 4.01Å; L50-L72 HydrophobicContact CD1-CD1 4.43Å |
| 51 | I | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.7 | -35.7 | 176.7 | -172.1 | 62 | 0 | 0 | 0 | 111.5 | N47 N48 Y49 L54 T55 L72 F90 I91 E94 L113 | N47-I51 PolarHBondContact O-N 2.92Å; N47-I51 VanDerWaalsContact O-N 3.14Å; N48-I51 VanDerWaalsContact O-CG2 3.24Å; N48-I51 WeakPolarHBondContact O-CG2 3.39Å; Y49-I51 PolarHBondContact O-N 2.8Å; I51-L54 HydrophobicContact CD1-CD2 4.02Å; I51-L54 PolarHBondContact O-N 3.14Å; I51-T55 HydrophobicContact CD1-CG2 3.69Å; I51-T55 HydrophobicContact CG1-CG2 4.22Å; I51-T55 WeakPolarHBondContact O-CB 3.43Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 2.86Å; I51-L72 HydrophobicContact CB-CD2 3.76Å; I51-L72 HydrophobicContact CD1-CD2 4.22Å; I51-L72 HydrophobicContact CG1-CD2 4.49Å; I51-F90 HydrophobicContact CG2-CD1 3.76Å; I51-F90 HydrophobicContact CG2-CE1 3.54Å; I51-I91 HydrophobicContact CB-CG1 4.14Å; I51-I91 HydrophobicContact CD1-CG2 4.41Å; I51-I91 HydrophobicContact CG1-CG1 4.5Å; I51-I91 HydrophobicContact CG1-CG2 4.39Å; I51-I91 HydrophobicContact CG2-CG1 3.86Å; I51-E94 HydrophobicContact CD1-CB 4.28Å; I51-E94 HydrophobicContact CG1-CB 3.68Å; I51-E94 HydrophobicContact CG1-CG 4.36Å; I51-L113 HydrophobicContact CD1-CD1 4.32Å |
| 52 | F | 95.9 | Very high | 91.4 | Very high | 39 Ų | 39 | 49 Ų | 49 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 177.2 | -177.5 | -89.1 | 0 | 0 | 0 | 112 | W5 P7 L12 N48 Y49 T55 K56 L57 | W5-F52 HydrophobicContact CH2-CB 4.23Å; W5-F52 HydrophobicContact CZ3-CB 3.78Å; W5-F52 AromaticContact CZ3-CD2 3.85Å; W5-F52 HydrophobicContact CZ3-CD2 3.85Å; W5-F52 AromaticContact CZ3-CG 3.94Å; W5-F52 HydrophobicContact CZ3-CG 3.94Å; P7-F52 HydrophobicContact CG-CD1 4.16Å; P7-F52 HydrophobicContact CG-CD2 4.31Å; P7-F52 HydrophobicContact CG-CE1 3.77Å; P7-F52 HydrophobicContact CG-CE2 3.92Å; P7-F52 HydrophobicContact CG-CG 4.43Å; P7-F52 HydrophobicContact CG-CZ 3.64Å; L12-F52 HydrophobicContact CD1-CD1 4.25Å; L12-F52 HydrophobicContact CD2-CE1 4.19Å; N48-F52 VanDerWaalsContact O-CB 3.23Å; N48-F52 WeakPolarHBondContact O-CB 3.13Å; N48-F52 PolarHBondContact O-N 3.4Å; Y49-F52 PolarHBondContact O-N 2.87Å; F52-T55 PolarHBondContact O-N 2.94Å; F52-K56 HydrophobicContact CD2-CB 3.8Å; F52-K56 HydrophobicContact CD2-CG 3.76Å; F52-K56 HydrophobicContact CE1-CB 4.35Å; F52-K56 HydrophobicContact CE2-CB 3.62Å; F52-K56 HydrophobicContact CE2-CG 3.81Å; F52-K56 HydrophobicContact CG-CB 4.24Å; F52-K56 HydrophobicContact CZ-CB 3.91Å; F52-K56 WeakPolarHBondContact O-CB 3.46Å; F52-K56 PolarHBondContact O-N 3.13Å; F52-L57 HydrophobicContact CE1-CB 4.5Å; F52-L57 HydrophobicContact CE1-CD1 3.94Å; F52-L57 PolarHBondContact O-N 3.43Å |
| 53 | V | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L12 L16 L19 Y49 T55 L57 R65 | L12-V53 HydrophobicContact CD1-CG2 3.76Å; L16-V53 HydrophobicContact CD2-CG1 4.18Å; L16-V53 HydrophobicContact CD2-CG2 4.16Å; L19-V53 HydrophobicContact CD1-CG1 3.92Å; Y49-V53 WeakPolarHBondContact O-CG2 3.26Å; Y49-V53 PolarHBondContact O-N 3.49Å; V53-T55 PolarHBondContact O-N 3.08Å; V53-L57 HydrophobicContact CG2-CD2 4.42Å; V53-R65 WeakPolarHBondContact O-CG 3.33Å |
| 54 | L | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 178.2 | 175.8 | 65.9 | 0 | 0 | 0 | 112.3 | L50 I51 R65 I106 T109 V110 L113 | L50-L54 PolarHBondContact O-N 2.91Å; I51-L54 HydrophobicContact CD1-CD2 4.02Å; I51-L54 PolarHBondContact O-N 3.14Å; L54-R65 WeakPolarHBondContact CD1-O 3.48Å; L54-R65 PolarHBondContact O-NE 3.22Å; L54-R65 VanDerWaalsContact O-NE 3.08Å; L54-R65 PolarHBondContact O-NH2 3.06Å; L54-I106 HydrophobicContact CD1-CD1 4.04Å; L54-I106 HydrophobicContact CD1-CG2 4.13Å; L54-T109 HydrophobicContact CD1-CG2 3.92Å; L54-T109 HydrophobicContact CD2-CG2 4.17Å; L54-V110 HydrophobicContact CD2-CG2 3.94Å; L54-V110 HydrophobicContact CG-CG2 4.36Å; L54-L113 HydrophobicContact CD2-CD1 3.5Å; L54-L113 VanDerWaalsContact CD2-CD1 3.5Å |
| 55 | T | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -100.2 | -42.6 | -163.3 | 58 | 0 | 0 | 0 | 0 | 114.3 | I51 F52 V53 K58 E94 N98 | I51-T55 HydrophobicContact CD1-CG2 3.69Å; I51-T55 HydrophobicContact CG1-CG2 4.22Å; I51-T55 WeakPolarHBondContact O-CB 3.43Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 2.86Å; F52-T55 PolarHBondContact O-N 2.94Å; V53-T55 PolarHBondContact O-N 3.08Å; T55-K58 WeakPolarHBondContact O-CE 3.25Å; T55-K58 PolarHBondContact O-NZ 3.14Å; T55-E94 HydrophobicContact CG2-CB 4.23Å; T55-E94 PolarHBondContact OG1-OE2 2.96Å; T55-N98 WeakPolarHBondContact CB-ND2 3.46Å; T55-N98 HydrophobicContact CG2-CB 4.03Å; T55-N98 PolarHBondContact O-OD1 3.06Å |
| 56 | K | 93.6 | Very high | 94 | Very high | 88 Ų | 88 | 33.6 Ų | 33.6 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -32.2 | -173.3 | -62.5 | -61.1 | -158.9 | -144.1 | 0 | 113.6 | F52 K58 E94 | F52-K56 HydrophobicContact CD2-CB 3.8Å; F52-K56 HydrophobicContact CD2-CG 3.76Å; F52-K56 HydrophobicContact CE1-CB 4.35Å; F52-K56 HydrophobicContact CE2-CB 3.62Å; F52-K56 HydrophobicContact CE2-CG 3.81Å; F52-K56 HydrophobicContact CG-CB 4.24Å; F52-K56 HydrophobicContact CZ-CB 3.91Å; F52-K56 WeakPolarHBondContact O-CB 3.46Å; F52-K56 PolarHBondContact O-N 3.13Å; K56-K58 VanDerWaalsContact C-N 3.26Å; K56-K58 PolarHBondContact O-N 3.11Å; K56-E94 WeakPolarHBondContact CE-OE1 3.33Å; K56-E94 WeakPolarHBondContact CE-OE2 3.27Å; K56-E94 IonicContact NZ-OE1 3.71Å; K56-E94 PolarHBondContact NZ-OE1 3.27Å; K56-E94 IonicContact NZ-OE2 3.71Å; K56-E94 PolarHBondContact NZ-OE2 2.99Å |
| 57 | L | 93.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | trans | -82.7 | 63.6 | -171.7 | -157 | 85.2 | 0 | 0 | 0 | 112.7 | L12 L16 F52 V53 S59 E60 | L12-L57 HydrophobicContact CD2-CD1 3.97Å; L16-L57 HydrophobicContact CD1-CD2 3.91Å; L16-L57 HydrophobicContact CD2-CD2 3.75Å; L16-L57 HydrophobicContact CG-CD2 4.36Å; F52-L57 HydrophobicContact CE1-CB 4.5Å; F52-L57 HydrophobicContact CE1-CD1 3.94Å; F52-L57 PolarHBondContact O-N 3.43Å; V53-L57 HydrophobicContact CG2-CD2 4.42Å; L57-S59 PolarHBondContact O-N 2.89Å; L57-E60 HydrophobicContact CD2-CB 4.14Å; L57-E60 HydrophobicContact CD2-CG 3.32Å; L57-E60 HydrophobicContact CG-CG 4.21Å; L57-E60 PolarHBondContact O-N 3.13Å | ||
| 58 | K | 90.8 | Very high | 94.2 | Very high | 103 Ų | 103 | 35.3 Ų | 35.3 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6.2 | -177.6 | -51.7 | -58.2 | -168.4 | -168.2 | 0 | 114.4 | T55 K56 N98 D101 | T55-K58 WeakPolarHBondContact O-CE 3.25Å; T55-K58 PolarHBondContact O-NZ 3.14Å; K56-K58 VanDerWaalsContact C-N 3.26Å; K56-K58 PolarHBondContact O-N 3.11Å; K58-N98 PolarHBondContact NZ-OD1 3.24Å; K58-D101 IonicContact NZ-OD2 3.17Å; K58-D101 PolarHBondContact NZ-OD2 3.18Å |
| 59 | S | 90.9 | Very high | 94.3 | Very high | 103 Ų | 103 | 35 Ų | 35 | 72% | 0.72 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -22.3 | 175.3 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | L57 | L57-S59 PolarHBondContact O-N 2.89Š|
| 60 | E | 92.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -87.5 | 158.3 | 174.8 | -69.1 | -68.5 | 148.9 | 0 | 0 | 111.2 | L16 K20 L57 R65 | L16-E60 HydrophobicContact CD1-CG 4.48Å; L16-E60 HydrophobicContact CD2-CG 3.81Å; K20-E60 WeakPolarHBondContact CE-OE2 3.49Å; K20-E60 IonicContact NZ-OE1 3.7Å; K20-E60 PolarHBondContact NZ-OE1 2.91Å; K20-E60 IonicContact NZ-OE2 3.71Å; K20-E60 PolarHBondContact NZ-OE2 3.08Å; L57-E60 HydrophobicContact CD2-CB 4.14Å; L57-E60 HydrophobicContact CD2-CG 3.32Å; L57-E60 HydrophobicContact CG-CG 4.21Å; L57-E60 PolarHBondContact O-N 3.13Å; E60-R65 HydrophobicContact CB-CG 4.26Å; E60-R65 VanDerWaalsContact O-CD 3.3Å; E60-R65 WeakPolarHBondContact O-CD 3.44Å |
| 61 | D | 92.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 42% | 0.422 | 20% | 0.197 | S | C | . | . | trans | -68.7 | 158.7 | -179.6 | 63.1 | 43.7 | 0 | 0 | 0 | 113.4 | P63 T64 R65 | D61-P63 WeakPolarHBondContact OD1-CD 3.27Å; D61-T64 PolarHBondContact O-N 3.31Å; D61-T64 WeakPolarHBondContact OD1-CB 3.37Å; D61-T64 PolarHBondContact OD1-N 3.2Å; D61-T64 PolarHBondContact OD1-OG1 2.97Å; D61-R65 VanDerWaalsContact O-CG 3.26Å; D61-R65 WeakPolarHBondContact O-CG 3.4Å; D61-R65 PolarHBondContact O-N 3.11Å; D61-R65 VanDerWaalsContact O-N 3.08Å | ||
| 62 | E | 93.5 | Very high | 94 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | -176.8 | -52.6 | -176 | 176.2 | 0 | 0 | 113.6 | T64 R65 S66 S103 L105 | E62-T64 PolarHBondContact O-N 3.03Å; E62-R65 PolarHBondContact O-N 2.96Å; E62-S66 VanDerWaalsContact O-CB 3.25Å; E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 3.35Å; E62-S103 WeakPolarHBondContact OE1-CB 3.45Å; E62-S103 PolarHBondContact OE1-OG 3Å; E62-S103 PolarHBondContact OE2-OG 3Å; E62-L105 HydrophobicContact CB-CD2 4.18Å |
| 63 | P | 93.5 | Very high | 94 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.9 | -25.9 | 36.3 | 0 | 0 | 0 | 113.4 | D61 S66 L67 | D61-P63 WeakPolarHBondContact OD1-CD 3.27Å; P63-S66 PolarHBondContact O-N 3.2Å; P63-L67 VanDerWaalsContact O-CB 3.24Å; P63-L67 WeakPolarHBondContact O-CB 3.35Å; P63-L67 PolarHBondContact O-N 3.11Å |
| 64 | T | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | L19 Q23 D61 E62 L67 S68 | L19-T64 HydrophobicContact CB-CG2 4Å; L19-T64 HydrophobicContact CD1-CG2 4.22Å; Q23-T64 PolarHBondContact NE2-OG1 3.45Å; D61-T64 PolarHBondContact O-N 3.31Å; D61-T64 WeakPolarHBondContact OD1-CB 3.37Å; D61-T64 PolarHBondContact OD1-N 3.2Å; D61-T64 PolarHBondContact OD1-OG1 2.97Å; E62-T64 PolarHBondContact O-N 3.03Å; T64-L67 PolarHBondContact O-N 3.49Å; T64-S68 PolarHBondContact O-N 3.22Å; T64-S68 VanDerWaalsContact O-N 3.08Å |
| 65 | R | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.8 | -68.9 | 173.1 | 58 | -152.4 | -6.8 | 111.3 | V53 L54 E60 D61 E62 S68 G69 D101 I106 | V53-R65 WeakPolarHBondContact O-CG 3.33Å; L54-R65 WeakPolarHBondContact CD1-O 3.48Å; L54-R65 PolarHBondContact O-NE 3.22Å; L54-R65 VanDerWaalsContact O-NE 3.08Å; L54-R65 PolarHBondContact O-NH2 3.06Å; E60-R65 HydrophobicContact CB-CG 4.26Å; E60-R65 VanDerWaalsContact O-CD 3.3Å; E60-R65 WeakPolarHBondContact O-CD 3.44Å; D61-R65 VanDerWaalsContact O-CG 3.26Å; D61-R65 WeakPolarHBondContact O-CG 3.4Å; D61-R65 PolarHBondContact O-N 3.11Å; D61-R65 VanDerWaalsContact O-N 3.08Å; E62-R65 PolarHBondContact O-N 2.96Å; R65-S68 WeakPolarHBondContact O-CB 3.42Å; R65-S68 PolarHBondContact O-N 3.04Å; R65-G69 PolarHBondContact O-N 3.31Å; R65-D101 IonicContact NH2-OD2 3.18Å; R65-D101 PolarHBondContact NH2-OD2 3.21Å; R65-I106 HydrophobicContact CB-CD1 3.6Å |
| 66 | S | 94.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.9 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | E62 P63 S68 G69 L70 T109 | E62-S66 VanDerWaalsContact O-CB 3.25Å; E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 3.35Å; P63-S66 PolarHBondContact O-N 3.2Å; S66-S68 VanDerWaalsContact C-N 3.27Å; S66-S68 PolarHBondContact O-N 3.32Å; S66-G69 CarbonylContact O-C 3.56Å; S66-G69 WeakPolarHBondContact O-CA 3.29Å; S66-G69 PolarHBondContact O-N 3.26Å; S66-L70 WeakPolarHBondContact O-CG 3.22Å; S66-L70 PolarHBondContact O-N 3.32Å; S66-T109 PolarHBondContact OG-OG1 3.19Å |
| 67 | L | 93.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.6 | -40.4 | 177.1 | -179.2 | 57.9 | 0 | 0 | 0 | 112 | L19 S22 Q23 P63 T64 G69 L70 I71 | L19-L67 HydrophobicContact CD2-CG 4.39Å; S22-L67 WeakPolarHBondContact OG-CD2 3.49Å; Q23-L67 HydrophobicContact CG-CD2 3.7Å; P63-L67 VanDerWaalsContact O-CB 3.24Å; P63-L67 WeakPolarHBondContact O-CB 3.35Å; P63-L67 PolarHBondContact O-N 3.11Å; T64-L67 PolarHBondContact O-N 3.49Å; L67-G69 VanDerWaalsContact C-N 3.31Å; L67-G69 PolarHBondContact O-N 2.95Å; L67-L70 PolarHBondContact O-N 3.45Å; L67-I71 HydrophobicContact CD1-CD1 4.42Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CG1 3.37Å; L67-I71 PolarHBondContact O-N 2.88Å |
| 68 | S | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 172.7 | -170.5 | 0 | 0 | 0 | 0 | 112 | L50 T64 R65 S66 L72 | L50-S68 WeakPolarHBondContact CA-OG 3.45Å; L50-S68 WeakPolarHBondContact CD2-OG 3.45Å; L50-S68 PolarHBondContact O-OG 2.61Å; T64-S68 PolarHBondContact O-N 3.22Å; T64-S68 VanDerWaalsContact O-N 3.08Å; R65-S68 WeakPolarHBondContact O-CB 3.42Å; R65-S68 PolarHBondContact O-N 3.04Å; S66-S68 VanDerWaalsContact C-N 3.27Å; S66-S68 PolarHBondContact O-N 3.32Å; S68-L72 PolarHBondContact O-N 2.97Å; S68-L72 VanDerWaalsContact O-N 3.08Å |
| 69 | G | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R65 S66 L67 L72 K73 | R65-G69 PolarHBondContact O-N 3.31Å; S66-G69 CarbonylContact O-C 3.56Å; S66-G69 WeakPolarHBondContact O-CA 3.29Å; S66-G69 PolarHBondContact O-N 3.26Å; L67-G69 VanDerWaalsContact C-N 3.31Å; L67-G69 PolarHBondContact O-N 2.95Å; G69-L72 WeakPolarHBondContact O-CB 3.28Å; G69-L72 PolarHBondContact O-N 3.39Å; G69-K73 PolarHBondContact O-N 2.62Å |
| 70 | L | 93 | Very high | 92.6 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 178.1 | -67.2 | 175.4 | 0 | 0 | 0 | 112.8 | S66 L67 K73 N74 T109 | S66-L70 WeakPolarHBondContact O-CG 3.22Å; S66-L70 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.45Å; L70-K73 WeakPolarHBondContact O-CB 3.18Å; L70-K73 PolarHBondContact O-N 3Å; L70-N74 PolarHBondContact O-N 2.88Å; L70-N74 VanDerWaalsContact O-N 3.13Å; L70-T109 HydrophobicContact CD2-CG2 4.48Å; L70-T109 HydrophobicContact CG-CG2 4.4Å |
| 71 | I | 92.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 170.5 | -67.1 | 166.7 | 0 | 0 | 0 | 109.4 | L19 L37 L50 L67 K73 N74 N75 | L19-I71 HydrophobicContact CD2-CD1 3.62Å; L37-I71 HydrophobicContact CD1-CD1 4.2Å; L37-I71 HydrophobicContact CD2-CD1 4.2Å; L37-I71 HydrophobicContact CD2-CG2 4.23Å; L50-I71 HydrophobicContact CD1-CB 4.35Å; L50-I71 HydrophobicContact CD1-CG2 3.78Å; L50-I71 HydrophobicContact CD2-CG2 4.36Å; L67-I71 HydrophobicContact CD1-CD1 4.42Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 WeakPolarHBondContact O-CG1 3.37Å; L67-I71 PolarHBondContact O-N 2.88Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 3.47Å; I71-N74 WeakPolarHBondContact O-CB 3.3Å; I71-N74 PolarHBondContact O-N 3.48Å; I71-N74 VanDerWaalsContact O-N 3.11Å; I71-N75 PolarHBondContact O-N 3.22Å; I71-N75 PolarHBondContact O-OD1 3.35Å |
| 72 | L | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 175.9 | 179.2 | 59.4 | 0 | 0 | 0 | 111.8 | N47 L50 I51 S68 G69 N74 N75 V76 F83 I91 L113 | N47-L72 HydrophobicContact CB-CD1 3.64Å; L50-L72 HydrophobicContact CB-CB 3.97Å; L50-L72 HydrophobicContact CB-CD2 4.47Å; L50-L72 HydrophobicContact CD1-CB 4.01Å; L50-L72 HydrophobicContact CD1-CD1 4.43Å; I51-L72 HydrophobicContact CB-CD2 3.76Å; I51-L72 HydrophobicContact CD1-CD2 4.22Å; I51-L72 HydrophobicContact CG1-CD2 4.49Å; S68-L72 PolarHBondContact O-N 2.97Å; S68-L72 VanDerWaalsContact O-N 3.08Å; G69-L72 WeakPolarHBondContact O-CB 3.28Å; G69-L72 PolarHBondContact O-N 3.39Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 3.48Å; L72-N75 WeakPolarHBondContact O-CB 3.31Å; L72-N75 PolarHBondContact O-N 3.33Å; L72-N75 VanDerWaalsContact O-N 3.12Å; L72-V76 HydrophobicContact CD1-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 2.94Å; L72-F83 HydrophobicContact CD1-CE2 4.46Å; L72-I91 HydrophobicContact CD1-CD1 4.06Å; L72-I91 HydrophobicContact CD2-CD1 4.39Å; L72-I91 HydrophobicContact CD2-CG1 4.38Å; L72-I91 HydrophobicContact CD2-CG2 4.12Å; L72-L113 HydrophobicContact CB-CD2 4.14Å; L72-L113 HydrophobicContact CD2-CD1 4.1Å; L72-L113 HydrophobicContact CD2-CD2 4.06Å; L72-L113 HydrophobicContact CG-CD2 3.82Å |
| 73 | K | 94.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 175.7 | -175.6 | -138.2 | 73.9 | 178.2 | 0 | 111.5 | G69 L70 I71 N75 V76 K77 I112 L113 T116 | G69-K73 PolarHBondContact O-N 2.62Å; L70-K73 WeakPolarHBondContact O-CB 3.18Å; L70-K73 PolarHBondContact O-N 3Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 3.47Å; K73-N75 VanDerWaalsContact C-N 3.32Å; K73-N75 PolarHBondContact O-N 2.84Å; K73-V76 PolarHBondContact O-N 3.39Å; K73-K77 PolarHBondContact O-N 3.19Å; K73-I112 HydrophobicContact CD-CG2 3.45Å; K73-I112 VanDerWaalsContact CD-CG2 3.45Å; K73-I112 HydrophobicContact CG-CG2 3.77Å; K73-L113 HydrophobicContact CB-CD2 3.88Å; K73-T116 HydrophobicContact CG-CG2 4.01Å; K73-T116 WeakPolarHBondContact CG-OG1 3.45Å |
| 74 | N | 91.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.1 | -67.4 | -21.8 | 0 | 0 | 0 | 111.6 | L70 I71 L72 K77 A78 | L70-N74 PolarHBondContact O-N 2.88Å; L70-N74 VanDerWaalsContact O-N 3.13Å; I71-N74 WeakPolarHBondContact O-CB 3.3Å; I71-N74 PolarHBondContact O-N 3.48Å; I71-N74 VanDerWaalsContact O-N 3.11Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 3.48Å; N74-K77 PolarHBondContact O-N 3.25Å; N74-A78 PolarHBondContact O-N 3.35Å |
| 75 | N | 91.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.3 | -67.3 | 0.2 | 0 | 0 | 0 | 112.3 | N41 N47 I71 L72 K73 K77 A78 H79 F83 | N41-N75 PolarHBondContact ND2-OD1 3.22Å; N41-N75 VanDerWaalsContact OD1-CG 3.29Å; N41-N75 PolarHBondContact OD1-ND2 3.11Å; N41-N75 PolarHBondContact OD1-OD1 2.86Å; N41-N75 VanDerWaalsContact OD1-OD1 3.09Å; N47-N75 WeakPolarHBondContact OD1-CB 3.35Å; N47-N75 PolarHBondContact OD1-ND2 3.16Å; I71-N75 PolarHBondContact O-N 3.22Å; I71-N75 PolarHBondContact O-OD1 3.35Å; L72-N75 WeakPolarHBondContact O-CB 3.31Å; L72-N75 PolarHBondContact O-N 3.33Å; L72-N75 VanDerWaalsContact O-N 3.12Å; K73-N75 VanDerWaalsContact C-N 3.32Å; K73-N75 PolarHBondContact O-N 2.84Å; N75-K77 VanDerWaalsContact C-N 3.32Å; N75-A78 PolarHBondContact O-N 3.47Å; N75-H79 WeakPolarHBondContact O-CA 3.42Å; N75-H79 WeakPolarHBondContact O-CB 3.49Å; N75-H79 PolarHBondContact O-N 3.34Å; N75-F83 HydrophobicContact CB-CZ 4.19Å |
| 76 | V | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 170.9 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | L72 K73 A78 Y80 F83 T116 I117 | L72-V76 HydrophobicContact CD1-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 2.94Å; K73-V76 PolarHBondContact O-N 3.39Å; V76-A78 VanDerWaalsContact C-N 3.28Å; V76-A78 PolarHBondContact O-N 3.39Å; V76-Y80 HydrophobicContact CB-CD2 4.4Å; V76-Y80 HydrophobicContact CG1-CD2 3.72Å; V76-Y80 HydrophobicContact CG1-CE2 4.4Å; V76-Y80 HydrophobicContact CG1-CG 4.19Å; V76-Y80 HydrophobicContact CG2-CD2 4.3Å; V76-Y80 WeakPolarHBondContact O-CB 3.47Å; V76-Y80 PolarHBondContact O-N 3.01Å; V76-F83 HydrophobicContact CG2-CE2 4.18Å; V76-F83 HydrophobicContact CG2-CZ 4.48Å; V76-T116 HydrophobicContact CB-CG2 4.28Å; V76-T116 HydrophobicContact CG1-CG2 3.83Å; V76-I117 HydrophobicContact CG1-CG1 3.81Å; V76-I117 HydrophobicContact CG2-CG1 4.13Å |
| 77 | K | 89.3 | Confident | 90.6 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.6 | -37.7 | -178.9 | -166.7 | 177 | 178.7 | 179.4 | 0 | 113.5 | K73 N74 N75 T116 | K73-K77 PolarHBondContact O-N 3.19Å; N74-K77 PolarHBondContact O-N 3.25Å; N75-K77 VanDerWaalsContact C-N 3.32Å; K77-T116 HydrophobicContact CB-CG2 4.49Å |
| 78 | A | 86.8 | Confident | 90.5 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -93.3 | -31.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N74 N75 V76 | N74-A78 PolarHBondContact O-N 3.35Å; N75-A78 PolarHBondContact O-N 3.47Å; V76-A78 VanDerWaalsContact C-N 3.28Å; V76-A78 PolarHBondContact O-N 3.39Å |
| 79 | H | 87.8 | Confident | 90.3 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -136.1 | 10.3 | -162.7 | -54.9 | -45.2 | 0 | 0 | 0 | 114.6 | N75 Q81 N82 F83 | N75-H79 WeakPolarHBondContact O-CA 3.42Å; N75-H79 WeakPolarHBondContact O-CB 3.49Å; N75-H79 PolarHBondContact O-N 3.34Å; H79-Q81 PolarHBondContact O-N 3.43Å; H79-Q81 VanDerWaalsContact O-N 3.13Å; H79-N82 WeakPolarHBondContact O-CB 3.35Å; H79-N82 PolarHBondContact O-N 3.15Å; H79-F83 HydrophobicContact CB-CE1 4.11Å; H79-F83 VanDerWaalsContact O-CD1 3.24Å; H79-F83 WeakPolarHBondContact O-CD1 3.44Å |
| 80 | Y | 88.2 | Confident | 90.2 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 14% | 0.137 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -54.7 | -36.1 | -174.1 | -171.6 | -105.1 | 0 | 0 | 0 | 114.2 | V76 N82 F83 K92 I117 G121 | V76-Y80 HydrophobicContact CB-CD2 4.4Å; V76-Y80 HydrophobicContact CG1-CD2 3.72Å; V76-Y80 HydrophobicContact CG1-CE2 4.4Å; V76-Y80 HydrophobicContact CG1-CG 4.19Å; V76-Y80 HydrophobicContact CG2-CD2 4.3Å; V76-Y80 WeakPolarHBondContact O-CB 3.47Å; V76-Y80 PolarHBondContact O-N 3.01Å; Y80-N82 PolarHBondContact O-N 3.04Å; Y80-N82 VanDerWaalsContact O-N 3.16Å; Y80-F83 HydrophobicContact CD2-CD2 4.27Å; Y80-F83 WeakPolarHBondContact O-CB 3.31Å; Y80-F83 PolarHBondContact O-N 2.83Å; Y80-K92 WeakPolarHBondContact OH-CE 3.37Å; Y80-I117 HydrophobicContact CE2-CG1 4.3Å; Y80-I117 HydrophobicContact CE2-CG2 3.94Å; Y80-I117 WeakPolarHBondContact OH-CG2 3.48Å; Y80-G121 VanDerWaalsContact CD1-CA 3.5Å |
| 81 | Q | 85.1 | Confident | 90.3 | Very high | 186 Ų | 186 | 56.8 Ų | 56.8 | 87% | 0.869 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -61.4 | -23.7 | 177.3 | -65.1 | 179.2 | 0.8 | 0 | 0 | 113.5 | H79 | H79-Q81 PolarHBondContact O-N 3.43Å; H79-Q81 VanDerWaalsContact O-N 3.13Å |
| 82 | N | 86.4 | Confident | 90.4 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -90.6 | -2.6 | 178.9 | -61.3 | -25.4 | 0 | 0 | 0 | 112.6 | H79 Y80 | H79-N82 WeakPolarHBondContact O-CB 3.35Å; H79-N82 PolarHBondContact O-N 3.15Å; Y80-N82 PolarHBondContact O-N 3.04Å; Y80-N82 VanDerWaalsContact O-N 3.16Å |
| 83 | F | 88.1 | Confident | 90.4 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -74.3 | 129.7 | -177.4 | -79.5 | 29.7 | 0 | 0 | 0 | 110 | N47 L72 N75 V76 H79 Y80 V87 I91 | N47-F83 HydrophobicContact CB-CE2 4.06Å; N47-F83 HydrophobicContact CB-CZ 4.19Å; N47-F83 VanDerWaalsContact CG-CZ 3.47Å; N47-F83 WeakPolarHBondContact ND2-CZ 3.13Å; L72-F83 HydrophobicContact CD1-CE2 4.46Å; N75-F83 HydrophobicContact CB-CZ 4.19Å; V76-F83 HydrophobicContact CG2-CE2 4.18Å; V76-F83 HydrophobicContact CG2-CZ 4.48Å; H79-F83 HydrophobicContact CB-CE1 4.11Å; H79-F83 VanDerWaalsContact O-CD1 3.24Å; H79-F83 WeakPolarHBondContact O-CD1 3.44Å; Y80-F83 HydrophobicContact CD2-CD2 4.27Å; Y80-F83 WeakPolarHBondContact O-CB 3.31Å; Y80-F83 PolarHBondContact O-N 2.83Å; F83-V87 HydrophobicContact CD2-CG1 4.14Å; F83-I91 HydrophobicContact CD2-CD1 4.21Å; F83-I91 HydrophobicContact CE2-CD1 3.94Å |
| 84 | P | 89.6 | Confident | 90.4 | Very high | 60 Ų | 60 | 57 Ų | 57 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | trans | -63.2 | 142.5 | 169.3 | -18.5 | 31 | 0 | 0 | 0 | 110.7 | P44 G86 V87 S88 | P44-P84 VanDerWaalsContact CB-CD 3.5Å; P44-P84 HydrophobicContact CB-CG 3.72Å; P44-P84 HydrophobicContact CG-CG 3.95Å; P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; P84-V87 HydrophobicContact CB-CG2 4.39Å; P84-V87 HydrophobicContact CG-CG2 4.29Å; P84-V87 WeakPolarHBondContact O-CB 3.05Å; P84-V87 PolarHBondContact O-N 2.75Å; P84-S88 PolarHBondContact O-N 3.08Å; P84-S88 VanDerWaalsContact O-N 3.16Å | ||
| 85 | N | 86.3 | Confident | 90.7 | Very high | 125 Ų | 125 | 53 Ų | 53 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.3 | -39 | -179 | -64.5 | -1.7 | 0 | 0 | 0 | 113.2 | V87 S88 D89 | N85-V87 VanDerWaalsContact C-N 3.28Å; N85-V87 PolarHBondContact O-N 2.89Å; N85-S88 WeakPolarHBondContact CA-OG 3.42Å; N85-S88 PolarHBondContact O-N 3.21Å; N85-S88 PolarHBondContact O-OG 3.02Å; N85-D89 VanDerWaalsContact O-CB 3.31Å; N85-D89 WeakPolarHBondContact O-CB 3.48Å; N85-D89 PolarHBondContact O-N 2.87Å |
| 86 | G | 88.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.1 | -30.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P84 F90 | P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; G86-F90 WeakPolarHBondContact O-CB 3.28Å; G86-F90 PolarHBondContact O-N 2.95Å |
| 87 | V | 90.7 | Very high | 90.9 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.8 | -46.2 | 176 | 174 | 0 | 0 | 0 | 0 | 110 | P44 N47 N48 F83 P84 N85 F90 I91 | P44-V87 HydrophobicContact CB-CG2 4.25Å; N47-V87 HydrophobicContact CB-CG1 4.08Å; N48-V87 WeakPolarHBondContact OD1-CG1 3.35Å; F83-V87 HydrophobicContact CD2-CG1 4.14Å; P84-V87 HydrophobicContact CB-CG2 4.39Å; P84-V87 HydrophobicContact CG-CG2 4.29Å; P84-V87 WeakPolarHBondContact O-CB 3.05Å; P84-V87 PolarHBondContact O-N 2.75Å; N85-V87 VanDerWaalsContact C-N 3.28Å; N85-V87 PolarHBondContact O-N 2.89Å; V87-F90 PolarHBondContact O-N 3.27Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 WeakPolarHBondContact O-CD1 3.5Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.29Å; V87-I91 PolarHBondContact O-N 3.27Å |
| 88 | S | 91.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 179.1 | 56 | 0 | 0 | 0 | 0 | 111.6 | P84 N85 F90 I91 K92 | P84-S88 PolarHBondContact O-N 3.08Å; P84-S88 VanDerWaalsContact O-N 3.16Å; N85-S88 WeakPolarHBondContact CA-OG 3.42Å; N85-S88 PolarHBondContact O-N 3.21Å; N85-S88 PolarHBondContact O-OG 3.02Å; S88-F90 VanDerWaalsContact C-N 3.35Å; S88-F90 PolarHBondContact O-N 3.02Å; S88-I91 PolarHBondContact O-N 2.77Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 2.82Å |
| 89 | D | 92 | Very high | 91.6 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.6 | -65.7 | -21.6 | 0 | 0 | 0 | 112.2 | N85 S93 | N85-D89 VanDerWaalsContact O-CB 3.31Å; N85-D89 WeakPolarHBondContact O-CB 3.48Å; N85-D89 PolarHBondContact O-N 2.87Å; D89-S93 VanDerWaalsContact O-CB 3.3Å; D89-S93 WeakPolarHBondContact O-CB 3.5Å; D89-S93 PolarHBondContact O-N 3.15Å |
| 90 | F | 93.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 174.2 | 179.9 | -119.3 | 0 | 0 | 0 | 111.6 | W5 N48 I51 G86 V87 S88 S93 E94 | W5-F90 HydrophobicContact CD2-CE1 4.34Å; W5-F90 AromaticContact CE3-CE1 3.72Å; W5-F90 HydrophobicContact CE3-CE1 3.72Å; W5-F90 AromaticContact CE3-CZ 3.81Å; W5-F90 HydrophobicContact CE3-CZ 3.81Å; W5-F90 HydrophobicContact CZ3-CE1 4.18Å; W5-F90 HydrophobicContact CZ3-CZ 4.36Å; N48-F90 HydrophobicContact CB-CD1 4.18Å; N48-F90 HydrophobicContact CB-CE1 4.21Å; N48-F90 WeakPolarHBondContact OD1-CD1 3.33Å; I51-F90 HydrophobicContact CG2-CD1 3.76Å; I51-F90 HydrophobicContact CG2-CE1 3.54Å; G86-F90 WeakPolarHBondContact O-CB 3.28Å; G86-F90 PolarHBondContact O-N 2.95Å; V87-F90 PolarHBondContact O-N 3.27Å; S88-F90 VanDerWaalsContact C-N 3.35Å; S88-F90 PolarHBondContact O-N 3.02Å; F90-S93 PolarHBondContact O-N 3.26Å; F90-E94 HydrophobicContact CD2-CG 4.15Å; F90-E94 HydrophobicContact CE1-CG 4.45Å; F90-E94 HydrophobicContact CE2-CG 3.7Å; F90-E94 HydrophobicContact CZ-CG 3.87Å; F90-E94 WeakPolarHBondContact O-CG 3.46Å; F90-E94 PolarHBondContact O-N 2.94Å |
| 91 | I | 94.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 177.7 | -64.9 | 161.8 | 0 | 0 | 0 | 110.7 | N47 I51 L72 F83 V87 S88 S93 E94 C95 I117 | N47-I91 HydrophobicContact CB-CD1 4.22Å; I51-I91 HydrophobicContact CB-CG1 4.14Å; I51-I91 HydrophobicContact CD1-CG2 4.41Å; I51-I91 HydrophobicContact CG1-CG1 4.5Å; I51-I91 HydrophobicContact CG1-CG2 4.39Å; I51-I91 HydrophobicContact CG2-CG1 3.86Å; L72-I91 HydrophobicContact CD1-CD1 4.06Å; L72-I91 HydrophobicContact CD2-CD1 4.39Å; L72-I91 HydrophobicContact CD2-CG1 4.38Å; L72-I91 HydrophobicContact CD2-CG2 4.12Å; F83-I91 HydrophobicContact CD2-CD1 4.21Å; F83-I91 HydrophobicContact CE2-CD1 3.94Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 WeakPolarHBondContact O-CD1 3.5Å; V87-I91 VanDerWaalsContact O-CG1 3.26Å; V87-I91 WeakPolarHBondContact O-CG1 3.29Å; V87-I91 PolarHBondContact O-N 3.27Å; S88-I91 PolarHBondContact O-N 2.77Å; I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 PolarHBondContact O-N 3.3Å; I91-E94 PolarHBondContact O-N 3.19Å; I91-C95 WeakPolarHBondContact O-CB 3.48Å; I91-C95 PolarHBondContact O-N 2.97Å; I91-C95 PolarHBondContact O-SG 2.98Å; I91-C95 VanDerWaalsContact O-SG 3.34Å; I91-I117 HydrophobicContact CG2-CD1 3.68Å |
| 92 | K | 95.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.7 | -48.4 | 177.4 | -76 | 175.4 | 173.4 | -176.3 | 0 | 111.5 | Y80 S88 L96 I117 N125 W126 | Y80-K92 WeakPolarHBondContact OH-CE 3.37Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 2.82Å; K92-L96 WeakPolarHBondContact O-CG 3.36Å; K92-L96 PolarHBondContact O-N 3.11Å; K92-L96 VanDerWaalsContact O-N 3.17Å; K92-I117 HydrophobicContact CG-CG2 4.45Å; K92-N125 PolarHBondContact NZ-O 3.08Å; K92-W126 HydrophobicContact CB-CH2 3.8Å; K92-W126 HydrophobicContact CB-CZ2 3.33Å; K92-W126 HydrophobicContact CD-CD2 3.78Å; K92-W126 HydrophobicContact CD-CE3 4.26Å; K92-W126 HydrophobicContact CD-CG 4.06Å; K92-W126 HydrophobicContact CD-CZ2 4.15Å; K92-W126 HydrophobicContact CG-CD2 3.84Å; K92-W126 HydrophobicContact CG-CE3 3.96Å; K92-W126 HydrophobicContact CG-CH2 3.63Å; K92-W126 HydrophobicContact CG-CZ2 3.47Å; K92-W126 VanDerWaalsContact CG-CZ2 3.47Å; K92-W126 HydrophobicContact CG-CZ3 3.87Å |
| 93 | S | 94.8 | Very high | 93 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | D89 F90 I91 C95 L96 Q97 | D89-S93 VanDerWaalsContact O-CB 3.3Å; D89-S93 WeakPolarHBondContact O-CB 3.5Å; D89-S93 PolarHBondContact O-N 3.15Å; F90-S93 PolarHBondContact O-N 3.26Å; I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 PolarHBondContact O-N 3.3Å; S93-C95 PolarHBondContact O-N 3.05Å; S93-L96 PolarHBondContact O-N 3Å; S93-Q97 VanDerWaalsContact O-CG 3.29Å; S93-Q97 WeakPolarHBondContact O-CG 3.31Å; S93-Q97 PolarHBondContact O-N 3.1Å; S93-Q97 PolarHBondContact OG-NE2 3.26Å; S93-Q97 VanDerWaalsContact OG-NE2 3.1Å |
| 94 | E | 95.5 | Very high | 93 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | -179.9 | -74.4 | -58 | 145.7 | 0 | 0 | 112.7 | I51 T55 K56 F90 I91 Q97 N98 | I51-E94 HydrophobicContact CD1-CB 4.28Å; I51-E94 HydrophobicContact CG1-CB 3.68Å; I51-E94 HydrophobicContact CG1-CG 4.36Å; T55-E94 HydrophobicContact CG2-CB 4.23Å; T55-E94 PolarHBondContact OG1-OE2 2.96Å; K56-E94 WeakPolarHBondContact CE-OE1 3.33Å; K56-E94 WeakPolarHBondContact CE-OE2 3.27Å; K56-E94 IonicContact NZ-OE1 3.71Å; K56-E94 PolarHBondContact NZ-OE1 3.27Å; K56-E94 IonicContact NZ-OE2 3.71Å; K56-E94 PolarHBondContact NZ-OE2 2.99Å; F90-E94 HydrophobicContact CD2-CG 4.15Å; F90-E94 HydrophobicContact CE1-CG 4.45Å; F90-E94 HydrophobicContact CE2-CG 3.7Å; F90-E94 HydrophobicContact CZ-CG 3.87Å; F90-E94 WeakPolarHBondContact O-CG 3.46Å; F90-E94 PolarHBondContact O-N 2.94Å; I91-E94 PolarHBondContact O-N 3.19Å; E94-Q97 PolarHBondContact O-N 3.23Å; E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 PolarHBondContact O-N 3.04Å; E94-N98 VanDerWaalsContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3Å; E94-N98 PolarHBondContact OE2-ND2 3.48Å |
| 95 | C | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 174 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | I91 S93 Q97 N98 I99 V110 I114 | I91-C95 WeakPolarHBondContact O-CB 3.48Å; I91-C95 PolarHBondContact O-N 2.97Å; I91-C95 PolarHBondContact O-SG 2.98Å; I91-C95 VanDerWaalsContact O-SG 3.34Å; S93-C95 PolarHBondContact O-N 3.05Å; C95-Q97 VanDerWaalsContact C-N 3.3Å; C95-Q97 PolarHBondContact O-N 3.47Å; C95-N98 PolarHBondContact O-N 3.36Å; C95-I99 PolarHBondContact O-N 3.28Å; C95-I99 VanDerWaalsContact O-N 3.09Å; C95-V110 HydrophobicContact CB-CG1 4.1Å; C95-V110 VanDerWaalsContact O-CG1 3.26Å; C95-V110 WeakPolarHBondContact O-CG1 3.14Å; C95-I114 HydrophobicContact CB-CD1 4.11Å; C95-I114 HydrophobicContact CB-CG1 3.68Å |
| 96 | L | 94.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -31.4 | -178.8 | -69.5 | 174.6 | 0 | 0 | 0 | 113.1 | K92 S93 I114 W126 L129 K132 L133 | K92-L96 WeakPolarHBondContact O-CG 3.36Å; K92-L96 PolarHBondContact O-N 3.11Å; K92-L96 VanDerWaalsContact O-N 3.17Å; S93-L96 PolarHBondContact O-N 3Å; L96-I114 HydrophobicContact CD2-CD1 4.33Å; L96-W126 HydrophobicContact CD1-CZ2 3.64Å; L96-W126 HydrophobicContact CD2-CZ2 4.45Å; L96-W126 HydrophobicContact CG-CH2 4.47Å; L96-W126 HydrophobicContact CG-CZ2 3.89Å; L96-L129 HydrophobicContact CD2-CD1 3.86Å; L96-K132 HydrophobicContact CD1-CG 4.19Å; L96-L133 HydrophobicContact CD2-CD2 4.05Å; L96-L133 HydrophobicContact CD2-CG 4.49Å |
| 97 | Q | 94.2 | Very high | 93.7 | Very high | 120 Ų | 120 | 33.8 Ų | 33.8 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -72.8 | -26.8 | 176.1 | -72.1 | 176.7 | 28.1 | 0 | 0 | 113.4 | S93 E94 C95 | S93-Q97 VanDerWaalsContact O-CG 3.29Å; S93-Q97 WeakPolarHBondContact O-CG 3.31Å; S93-Q97 PolarHBondContact O-N 3.1Å; S93-Q97 PolarHBondContact OG-NE2 3.26Å; S93-Q97 VanDerWaalsContact OG-NE2 3.1Å; E94-Q97 PolarHBondContact O-N 3.23Å; C95-Q97 VanDerWaalsContact C-N 3.3Å; C95-Q97 PolarHBondContact O-N 3.47Å |
| 98 | N | 95.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -112.3 | 13.2 | -173.9 | -67.3 | -93.7 | 0 | 0 | 0 | 113.4 | T55 K58 E94 C95 G100 D101 | T55-N98 WeakPolarHBondContact CB-ND2 3.46Å; T55-N98 HydrophobicContact CG2-CB 4.03Å; T55-N98 PolarHBondContact O-OD1 3.06Å; K58-N98 PolarHBondContact NZ-OD1 3.24Å; E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 PolarHBondContact O-N 3.04Å; E94-N98 VanDerWaalsContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3Å; E94-N98 PolarHBondContact OE2-ND2 3.48Å; C95-N98 PolarHBondContact O-N 3.36Å; N98-G100 PolarHBondContact O-N 3.47Å; N98-D101 PolarHBondContact O-N 3.16Å; N98-D101 VanDerWaalsContact O-N 3.13Å |
| 99 | I | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.7 | 178.8 | -159.8 | 169.8 | 0 | 0 | 0 | 112.8 | C95 R107 I114 L133 L136 T144 A148 A151 | C95-I99 PolarHBondContact O-N 3.28Å; C95-I99 VanDerWaalsContact O-N 3.09Å; I99-R107 WeakPolarHBondContact O-CD 3.49Å; I99-R107 WeakPolarHBondContact O-CG 3.1Å; I99-I114 HydrophobicContact CD1-CD1 3.69Å; I99-I114 HydrophobicContact CG1-CD1 4.1Å; I99-L133 HydrophobicContact CD1-CD2 3.39Å; I99-L136 HydrophobicContact CG2-CD1 4.06Å; I99-T144 HydrophobicContact CG2-CG2 4.31Å; I99-A148 HydrophobicContact CD1-CB 4.21Å; I99-A151 HydrophobicContact CD1-CB 4.15Å |
| 100 | G | 94.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 27.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N98 N143 | N98-G100 PolarHBondContact O-N 3.47Å; G100-N143 WeakPolarHBondContact O-CB 3.46Å |
| 101 | D | 95.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | trans | -51.9 | 145.3 | 176.9 | -167 | -71.6 | 0 | 0 | 0 | 111.2 | K58 R65 N98 S103 I106 R107 | K58-D101 IonicContact NZ-OD2 3.17Å; K58-D101 PolarHBondContact NZ-OD2 3.18Å; R65-D101 IonicContact NH2-OD2 3.18Å; R65-D101 PolarHBondContact NH2-OD2 3.21Å; N98-D101 PolarHBondContact O-N 3.16Å; N98-D101 VanDerWaalsContact O-N 3.13Å; D101-S103 VanDerWaalsContact C-N 3.25Å; D101-S103 PolarHBondContact O-N 3.14Å; D101-S103 WeakPolarHBondContact OD1-CB 3.38Å; D101-S103 PolarHBondContact OD1-N 3.13Å; D101-I106 HydrophobicContact CB-CB 4.14Å; D101-I106 HydrophobicContact CB-CG2 3.82Å; D101-R107 HydrophobicContact CB-CG 4.06Å; D101-R107 WeakPolarHBondContact O-CD 3.42Å; D101-R107 WeakPolarHBondContact O-CG 3.46Å; D101-R107 PolarHBondContact O-NH1 3.04Å | ||
| 102 | S | 93.1 | Very high | 93.6 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 71% | 0.706 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -66.1 | -28 | -179.4 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | P104 R107 | S102-P104 WeakPolarHBondContact O-CD 3.3Å; S102-R107 PolarHBondContact O-NH1 3.09Å |
| 103 | S | 93.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -80 | 123.2 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | E62 D101 L105 I106 R107 | E62-S103 WeakPolarHBondContact OE1-CB 3.45Å; E62-S103 PolarHBondContact OE1-OG 3Å; E62-S103 PolarHBondContact OE2-OG 3Å; D101-S103 VanDerWaalsContact C-N 3.25Å; D101-S103 PolarHBondContact O-N 3.14Å; D101-S103 WeakPolarHBondContact OD1-CB 3.38Å; D101-S103 PolarHBondContact OD1-N 3.13Å; S103-L105 VanDerWaalsContact C-N 3.25Å; S103-L105 PolarHBondContact O-N 3.22Å; S103-L105 PolarHBondContact OG-N 2.96Å; S103-I106 PolarHBondContact O-N 2.85Å; S103-I106 PolarHBondContact OG-N 3.09Å; S103-R107 PolarHBondContact O-N 2.96Å |
| 104 | P | 89.1 | Confident | 93.6 | Very high | 86 Ų | 86 | 30.2 Ų | 30.2 | 56% | 0.558 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -58.6 | -36.5 | 174.5 | -23.5 | 33.9 | 0 | 0 | 0 | 113 | S102 R107 A108 | S102-P104 WeakPolarHBondContact O-CD 3.3Å; P104-R107 PolarHBondContact O-N 3.04Å; P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.4Å |
| 105 | L | 91.8 | Very high | 93.4 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 178.7 | 178.2 | 61.6 | 0 | 0 | 0 | 111 | E62 S103 A108 T109 | E62-L105 HydrophobicContact CB-CD2 4.18Å; S103-L105 VanDerWaalsContact C-N 3.25Å; S103-L105 PolarHBondContact O-N 3.22Å; S103-L105 PolarHBondContact OG-N 2.96Å; L105-A108 PolarHBondContact O-N 3.38Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 VanDerWaalsContact O-N 3.08Å; L105-T109 PolarHBondContact O-OG1 3.5Å; L105-T109 VanDerWaalsContact O-OG1 3.08Å |
| 106 | I | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 178.6 | -57.5 | -60 | 0 | 0 | 0 | 111.1 | L54 R65 D101 S103 A108 T109 V110 | L54-I106 HydrophobicContact CD1-CD1 4.04Å; L54-I106 HydrophobicContact CD1-CG2 4.13Å; R65-I106 HydrophobicContact CB-CD1 3.6Å; D101-I106 HydrophobicContact CB-CB 4.14Å; D101-I106 HydrophobicContact CB-CG2 3.82Å; S103-I106 PolarHBondContact O-N 2.85Å; S103-I106 PolarHBondContact OG-N 3.09Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.37Å; I106-T109 PolarHBondContact O-N 3.35Å; I106-V110 HydrophobicContact CG2-CG2 4.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.27Å; I106-V110 PolarHBondContact O-N 3.05Å |
| 107 | R | 92.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 174.5 | -71.8 | -159.5 | -55.6 | -82.7 | 5.7 | 112 | I99 D101 S102 S103 P104 T109 V110 G111 N143 E146 | I99-R107 WeakPolarHBondContact O-CD 3.49Å; I99-R107 WeakPolarHBondContact O-CG 3.1Å; D101-R107 HydrophobicContact CB-CG 4.06Å; D101-R107 WeakPolarHBondContact O-CD 3.42Å; D101-R107 WeakPolarHBondContact O-CG 3.46Å; D101-R107 PolarHBondContact O-NH1 3.04Å; S102-R107 PolarHBondContact O-NH1 3.09Å; S103-R107 PolarHBondContact O-N 2.96Å; P104-R107 PolarHBondContact O-N 3.04Å; R107-T109 VanDerWaalsContact C-N 3.35Å; R107-T109 PolarHBondContact O-N 3.22Å; R107-V110 PolarHBondContact O-N 3.34Å; R107-G111 PolarHBondContact O-N 3.08Å; R107-N143 PolarHBondContact NH1-OD1 3.16Å; R107-E146 IonicContact CZ-OE2 2.82Å; R107-E146 VanDerWaalsContact CZ-OE2 3.28Å; R107-E146 IonicContact NE-OE2 3.97Å; R107-E146 PolarHBondContact NE-OE2 3.47Å; R107-E146 IonicContact NH2-OE2 3.04Å; R107-E146 PolarHBondContact NH2-OE2 3.22Å |
| 108 | A | 89.5 | Confident | 93 | Very high | 55 Ų | 55 | 25.1 Ų | 25.1 | 46% | 0.455 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P104 L105 I106 V110 G111 I112 | P104-A108 WeakPolarHBondContact O-CB 3.44Å; P104-A108 PolarHBondContact O-N 3.4Å; L105-A108 PolarHBondContact O-N 3.38Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.37Å; A108-V110 PolarHBondContact O-N 3.47Å; A108-G111 PolarHBondContact O-N 3.07Å; A108-I112 VanDerWaalsContact O-CG1 3.29Å; A108-I112 WeakPolarHBondContact O-CG1 3.31Å; A108-I112 PolarHBondContact O-N 2.83Å |
| 109 | T | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 179 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | L54 S66 L70 L105 I106 R107 I112 L113 | L54-T109 HydrophobicContact CD1-CG2 3.92Å; L54-T109 HydrophobicContact CD2-CG2 4.17Å; S66-T109 PolarHBondContact OG-OG1 3.19Å; L70-T109 HydrophobicContact CD2-CG2 4.48Å; L70-T109 HydrophobicContact CG-CG2 4.4Å; L105-T109 PolarHBondContact O-N 3.06Å; L105-T109 VanDerWaalsContact O-N 3.08Å; L105-T109 PolarHBondContact O-OG1 3.5Å; L105-T109 VanDerWaalsContact O-OG1 3.08Å; I106-T109 PolarHBondContact O-N 3.35Å; R107-T109 VanDerWaalsContact C-N 3.35Å; R107-T109 PolarHBondContact O-N 3.22Å; T109-I112 PolarHBondContact O-N 3.02Å; T109-L113 PolarHBondContact O-N 3.27Å |
| 110 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 173.9 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L54 C95 I106 R107 A108 I112 L113 I114 | L54-V110 HydrophobicContact CD2-CG2 3.94Å; L54-V110 HydrophobicContact CG-CG2 4.36Å; C95-V110 HydrophobicContact CB-CG1 4.1Å; C95-V110 VanDerWaalsContact O-CG1 3.26Å; C95-V110 WeakPolarHBondContact O-CG1 3.14Å; I106-V110 HydrophobicContact CG2-CG2 4.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.27Å; I106-V110 PolarHBondContact O-N 3.05Å; R107-V110 PolarHBondContact O-N 3.34Å; A108-V110 PolarHBondContact O-N 3.47Å; V110-I112 PolarHBondContact O-N 3.1Å; V110-L113 WeakPolarHBondContact O-CB 3.19Å; V110-L113 PolarHBondContact O-N 2.95Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å; V110-I114 PolarHBondContact O-N 3.23Å |
| 111 | G | 91.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R107 A108 L113 I114 T115 | R107-G111 PolarHBondContact O-N 3.08Å; A108-G111 PolarHBondContact O-N 3.07Å; G111-L113 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 3.01Å; G111-I114 PolarHBondContact O-N 2.97Å; G111-T115 VanDerWaalsContact O-CG2 3.32Å; G111-T115 WeakPolarHBondContact O-CG2 3.29Å; G111-T115 PolarHBondContact O-N 3Å; G111-T115 PolarHBondContact O-OG1 3.09Å |
| 112 | I | 90.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 175.8 | -70.8 | 165.4 | 0 | 0 | 0 | 111.6 | K73 A108 T109 V110 T115 T116 | K73-I112 HydrophobicContact CD-CG2 3.45Å; K73-I112 VanDerWaalsContact CD-CG2 3.45Å; K73-I112 HydrophobicContact CG-CG2 3.77Å; A108-I112 VanDerWaalsContact O-CG1 3.29Å; A108-I112 WeakPolarHBondContact O-CG1 3.31Å; A108-I112 PolarHBondContact O-N 2.83Å; T109-I112 PolarHBondContact O-N 3.02Å; V110-I112 PolarHBondContact O-N 3.1Å; I112-T115 WeakPolarHBondContact CA-OG1 3.16Å; I112-T115 PolarHBondContact O-OG1 3.27Å; I112-T116 VanDerWaalsContact O-CB 3.26Å; I112-T116 WeakPolarHBondContact O-CB 3.31Å; I112-T116 PolarHBondContact O-N 3.07Å; I112-T116 PolarHBondContact O-OG1 3.38Å |
| 113 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 175.7 | -83.9 | 169.1 | 0 | 0 | 0 | 111.7 | I51 L54 L72 K73 T109 V110 G111 T115 T116 I117 | I51-L113 HydrophobicContact CD1-CD1 4.32Å; L54-L113 HydrophobicContact CD2-CD1 3.5Å; L54-L113 VanDerWaalsContact CD2-CD1 3.5Å; L72-L113 HydrophobicContact CB-CD2 4.14Å; L72-L113 HydrophobicContact CD2-CD1 4.1Å; L72-L113 HydrophobicContact CD2-CD2 4.06Å; L72-L113 HydrophobicContact CG-CD2 3.82Å; K73-L113 HydrophobicContact CB-CD2 3.88Å; T109-L113 PolarHBondContact O-N 3.27Å; V110-L113 WeakPolarHBondContact O-CB 3.19Å; V110-L113 PolarHBondContact O-N 2.95Å; G111-L113 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 3.01Å; L113-T115 VanDerWaalsContact C-N 3.34Å; L113-T115 PolarHBondContact O-N 3.45Å; L113-T116 PolarHBondContact O-N 2.89Å; L113-I117 WeakPolarHBondContact O-CB 3.43Å; L113-I117 WeakPolarHBondContact O-CD1 3.45Å; L113-I117 WeakPolarHBondContact O-CG1 3.21Å; L113-I117 PolarHBondContact O-N 3.47Å |
| 114 | I | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -49.6 | 177.2 | -68.7 | 169.9 | 0 | 0 | 0 | 110.1 | C95 L96 I99 V110 G111 I117 A118 W126 L129 A151 | C95-I114 HydrophobicContact CB-CD1 4.11Å; C95-I114 HydrophobicContact CB-CG1 3.68Å; L96-I114 HydrophobicContact CD2-CD1 4.33Å; I99-I114 HydrophobicContact CD1-CD1 3.69Å; I99-I114 HydrophobicContact CG1-CD1 4.1Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å; V110-I114 PolarHBondContact O-N 3.23Å; G111-I114 PolarHBondContact O-N 2.97Å; I114-I117 PolarHBondContact O-N 2.94Å; I114-A118 WeakPolarHBondContact O-CB 3.3Å; I114-A118 PolarHBondContact O-N 2.99Å; I114-W126 HydrophobicContact CG1-CH2 4.47Å; I114-W126 HydrophobicContact CG2-CZ3 4.41Å; I114-L129 HydrophobicContact CG2-CD1 3.81Å; I114-L129 HydrophobicContact CG2-CD2 4.36Å; I114-A151 HydrophobicContact CG2-CB 4.36Å |
| 115 | T | 90.7 | Very high | 90.8 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -38.7 | -177.1 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | G111 I112 L113 I117 A118 S119 K154 I155 | G111-T115 VanDerWaalsContact O-CG2 3.32Å; G111-T115 WeakPolarHBondContact O-CG2 3.29Å; G111-T115 PolarHBondContact O-N 3Å; G111-T115 PolarHBondContact O-OG1 3.09Å; I112-T115 WeakPolarHBondContact CA-OG1 3.16Å; I112-T115 PolarHBondContact O-OG1 3.27Å; L113-T115 VanDerWaalsContact C-N 3.34Å; L113-T115 PolarHBondContact O-N 3.45Å; T115-I117 PolarHBondContact O-N 3.02Å; T115-A118 PolarHBondContact O-N 3.29Å; T115-S119 WeakPolarHBondContact O-CB 3.43Å; T115-S119 PolarHBondContact O-N 3.23Å; T115-K154 HydrophobicContact CG2-CB 3.54Å; T115-K154 HydrophobicContact CG2-CG 3.58Å; T115-I155 HydrophobicContact CG2-CG1 4.33Å |
| 116 | T | 92.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 14% | 0.135 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | K73 V76 K77 I112 L113 S119 K120 | K73-T116 HydrophobicContact CG-CG2 4.01Å; K73-T116 WeakPolarHBondContact CG-OG1 3.45Å; V76-T116 HydrophobicContact CB-CG2 4.28Å; V76-T116 HydrophobicContact CG1-CG2 3.83Å; K77-T116 HydrophobicContact CB-CG2 4.49Å; I112-T116 VanDerWaalsContact O-CB 3.26Å; I112-T116 WeakPolarHBondContact O-CB 3.31Å; I112-T116 PolarHBondContact O-N 3.07Å; I112-T116 PolarHBondContact O-OG1 3.38Å; L113-T116 PolarHBondContact O-N 2.89Å; T116-S119 PolarHBondContact O-N 2.94Å; T116-K120 WeakPolarHBondContact O-CB 3.44Å; T116-K120 PolarHBondContact O-N 3.41Å |
| 117 | I | 93.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.5 | -68.7 | 165.6 | 0 | 0 | 0 | 110.3 | V76 Y80 I91 K92 L113 I114 T115 S119 G121 W126 | V76-I117 HydrophobicContact CG1-CG1 3.81Å; V76-I117 HydrophobicContact CG2-CG1 4.13Å; Y80-I117 HydrophobicContact CE2-CG1 4.3Å; Y80-I117 HydrophobicContact CE2-CG2 3.94Å; Y80-I117 WeakPolarHBondContact OH-CG2 3.48Å; I91-I117 HydrophobicContact CG2-CD1 3.68Å; K92-I117 HydrophobicContact CG-CG2 4.45Å; L113-I117 WeakPolarHBondContact O-CB 3.43Å; L113-I117 WeakPolarHBondContact O-CD1 3.45Å; L113-I117 WeakPolarHBondContact O-CG1 3.21Å; L113-I117 PolarHBondContact O-N 3.47Å; I114-I117 PolarHBondContact O-N 2.94Å; T115-I117 PolarHBondContact O-N 3.02Å; I117-S119 VanDerWaalsContact C-N 3.35Å; I117-S119 PolarHBondContact O-N 3.25Å; I117-G121 VanDerWaalsContact O-CA 3.24Å; I117-G121 WeakPolarHBondContact O-CA 3.1Å; I117-G121 PolarHBondContact O-N 2.88Å; I117-W126 HydrophobicContact CB-CE3 4.37Å; I117-W126 HydrophobicContact CB-CZ3 3.95Å; I117-W126 HydrophobicContact CD1-CZ3 4.47Å; I117-W126 HydrophobicContact CG2-CE3 3.59Å; I117-W126 HydrophobicContact CG2-CZ3 3.54Å |
| 118 | A | 90.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | I114 T115 E122 L123 L129 I155 | I114-A118 WeakPolarHBondContact O-CB 3.3Å; I114-A118 PolarHBondContact O-N 2.99Å; T115-A118 PolarHBondContact O-N 3.29Å; A118-E122 CarbonylContact O-C 3.56Å; A118-E122 WeakPolarHBondContact O-CA 3.42Å; A118-E122 PolarHBondContact O-N 3.22Å; A118-L123 HydrophobicContact CB-CD1 3.76Å; A118-L123 PolarHBondContact O-N 3.42Å; A118-L129 HydrophobicContact CB-CD2 3.86Å; A118-I155 HydrophobicContact CB-CG1 4.46Å |
| 119 | S | 88 | Confident | 90.8 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70 | -52.2 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 112.6 | T115 T116 I117 | T115-S119 WeakPolarHBondContact O-CB 3.43Å; T115-S119 PolarHBondContact O-N 3.23Å; T116-S119 PolarHBondContact O-N 2.94Å; I117-S119 VanDerWaalsContact C-N 3.35Å; I117-S119 PolarHBondContact O-N 3.25Å |
| 120 | K | 88.3 | Confident | 90.8 | Very high | 105 Ų | 105 | 38.3 Ų | 38.3 | 46% | 0.457 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -82.4 | -25.9 | -174.7 | -71.1 | -68.9 | 179.8 | -163.7 | 0 | 114.5 | T116 | T116-K120 WeakPolarHBondContact O-CB 3.44Å; T116-K120 PolarHBondContact O-N 3.41Å |
| 121 | G | 83.7 | Confident | 90.7 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -88.7 | -5.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y80 I117 N125 | Y80-G121 VanDerWaalsContact CD1-CA 3.5Å; I117-G121 VanDerWaalsContact O-CA 3.24Å; I117-G121 WeakPolarHBondContact O-CA 3.1Å; I117-G121 PolarHBondContact O-N 2.88Å; G121-N125 WeakPolarHBondContact O-CB 3.26Å; G121-N125 PolarHBondContact O-ND2 2.82Å |
| 122 | E | 85.5 | Confident | 90.9 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | trans | 61.8 | 131.7 | -168.1 | -48.7 | 170.4 | 168.3 | 0 | 0 | 112.7 | A118 Q124 N125 | A118-E122 CarbonylContact O-C 3.56Å; A118-E122 WeakPolarHBondContact O-CA 3.42Å; A118-E122 PolarHBondContact O-N 3.22Å; E122-Q124 HydrophobicContact CB-CG 3.97Å; E122-Q124 PolarHBondContact O-N 3.27Å; E122-Q124 VanDerWaalsContact O-N 3.1Å; E122-Q124 PolarHBondContact OE2-NE2 2.95Å; E122-N125 PolarHBondContact O-N 3.45Å; E122-N125 PolarHBondContact OE2-ND2 3.17Å | ||
| 123 | L | 87.6 | Confident | 91.2 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -55.5 | -34.8 | -176.4 | -115.4 | 89.5 | 0 | 0 | 0 | 113.5 | A118 N125 W126 L130 I155 L163 L168 | A118-L123 HydrophobicContact CB-CD1 3.76Å; A118-L123 PolarHBondContact O-N 3.42Å; L123-N125 PolarHBondContact O-N 3.45Å; L123-W126 CarbonylContact O-C 3.2Å; L123-W126 PolarHBondContact O-N 2.91Å; L123-L130 HydrophobicContact CD2-CD1 3.74Å; L123-L130 HydrophobicContact CD2-CD2 4.16Å; L123-L130 HydrophobicContact CD2-CG 4.05Å; L123-I155 HydrophobicContact CD1-CG2 4.09Å; L123-I155 HydrophobicContact CD2-CG2 4.19Å; L123-L163 HydrophobicContact CD2-CD2 3.84Å; L123-L168 HydrophobicContact CB-CD1 4.08Å; L123-L168 HydrophobicContact CD2-CD1 3.73Å |
| 124 | Q | 87.6 | Confident | 91.2 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -60 | -26.5 | 179.3 | 62.1 | -170.5 | 4 | 0 | 0 | 113.7 | E122 W126 L168 | E122-Q124 HydrophobicContact CB-CG 3.97Å; E122-Q124 PolarHBondContact O-N 3.27Å; E122-Q124 VanDerWaalsContact O-N 3.1Å; E122-Q124 PolarHBondContact OE2-NE2 2.95Å; Q124-W126 VanDerWaalsContact C-N 3.26Å; Q124-W126 PolarHBondContact O-N 3.43Å; Q124-L168 HydrophobicContact CB-CD2 4.2Å |
| 125 | N | 89.3 | Confident | 91.2 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -87.8 | 6.1 | 178.5 | -59 | -42.4 | 0 | 0 | 0 | 112.6 | K92 G121 E122 L123 | K92-N125 PolarHBondContact NZ-O 3.08Å; G121-N125 WeakPolarHBondContact O-CB 3.26Å; G121-N125 PolarHBondContact O-ND2 2.82Å; E122-N125 PolarHBondContact O-N 3.45Å; E122-N125 PolarHBondContact OE2-ND2 3.17Å; L123-N125 PolarHBondContact O-N 3.45Å |
| 126 | W | 92.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | trans | -136.5 | 64.5 | 172.3 | -161.8 | -4.4 | 0 | 0 | 0 | 111.6 | K92 L96 I114 I117 L123 Q124 E128 L129 | K92-W126 HydrophobicContact CB-CH2 3.8Å; K92-W126 HydrophobicContact CB-CZ2 3.33Å; K92-W126 HydrophobicContact CD-CD2 3.78Å; K92-W126 HydrophobicContact CD-CE3 4.26Å; K92-W126 HydrophobicContact CD-CG 4.06Å; K92-W126 HydrophobicContact CD-CZ2 4.15Å; K92-W126 HydrophobicContact CG-CD2 3.84Å; K92-W126 HydrophobicContact CG-CE3 3.96Å; K92-W126 HydrophobicContact CG-CH2 3.63Å; K92-W126 HydrophobicContact CG-CZ2 3.47Å; K92-W126 VanDerWaalsContact CG-CZ2 3.47Å; K92-W126 HydrophobicContact CG-CZ3 3.87Å; L96-W126 HydrophobicContact CD1-CZ2 3.64Å; L96-W126 HydrophobicContact CD2-CZ2 4.45Å; L96-W126 HydrophobicContact CG-CH2 4.47Å; L96-W126 HydrophobicContact CG-CZ2 3.89Å; I114-W126 HydrophobicContact CG1-CH2 4.47Å; I114-W126 HydrophobicContact CG2-CZ3 4.41Å; I117-W126 HydrophobicContact CB-CE3 4.37Å; I117-W126 HydrophobicContact CB-CZ3 3.95Å; I117-W126 HydrophobicContact CD1-CZ3 4.47Å; I117-W126 HydrophobicContact CG2-CE3 3.59Å; I117-W126 HydrophobicContact CG2-CZ3 3.54Å; L123-W126 CarbonylContact O-C 3.2Å; L123-W126 PolarHBondContact O-N 2.91Å; Q124-W126 VanDerWaalsContact C-N 3.26Å; Q124-W126 PolarHBondContact O-N 3.43Å; W126-E128 VanDerWaalsContact C-N 3.27Å; W126-E128 PolarHBondContact NE1-OE1 3.09Å; W126-E128 PolarHBondContact O-N 3.17Å; W126-L129 HydrophobicContact CB-CB 4.27Å; W126-L129 HydrophobicContact CD2-CB 3.85Å; W126-L129 HydrophobicContact CD2-CD1 4.21Å; W126-L129 HydrophobicContact CD2-CD2 4.08Å; W126-L129 HydrophobicContact CD2-CG 4.26Å; W126-L129 HydrophobicContact CE3-CB 4.44Å; W126-L129 HydrophobicContact CE3-CD1 4.26Å; W126-L129 HydrophobicContact CE3-CD2 3.8Å; W126-L129 HydrophobicContact CE3-CG 4.39Å; W126-L129 HydrophobicContact CG-CB 3.75Å; W126-L129 HydrophobicContact CH2-CD1 4.05Å; W126-L129 HydrophobicContact CZ2-CD1 4Å; W126-L129 HydrophobicContact CZ3-CD1 4.18Å; W126-L129 HydrophobicContact CZ3-CD2 4.24Å; W126-L129 VanDerWaalsContact O-CB 3.26Å; W126-L129 WeakPolarHBondContact O-CB 3.23Å; W126-L129 PolarHBondContact O-N 3.41Å; W126-L129 VanDerWaalsContact O-N 3.08Å | ||
| 127 | P | 89.4 | Confident | 91.7 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 60% | 0.597 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.3 | -169.3 | 25.7 | -34.7 | 0 | 0 | 0 | 114 | L129 P131 | P127-L129 VanDerWaalsContact C-N 3.32Å; P127-L129 PolarHBondContact O-N 3.17Å; P127-P131 WeakPolarHBondContact O-CD 3.28Å |
| 128 | E | 91.4 | Very high | 91.7 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.4 | 178.7 | 69.3 | -81.3 | -177.6 | 0 | 0 | 114.5 | W126 K132 | W126-E128 VanDerWaalsContact C-N 3.27Å; W126-E128 PolarHBondContact NE1-OE1 3.09Å; W126-E128 PolarHBondContact O-N 3.17Å; E128-K132 WeakPolarHBondContact O-CB 3.33Å; E128-K132 PolarHBondContact O-N 3.35Å |
| 129 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -60.9 | -174.8 | 178.2 | 59.7 | 0 | 0 | 0 | 112.4 | L96 I114 A118 W126 P127 K132 L133 I155 | L96-L129 HydrophobicContact CD2-CD1 3.86Å; I114-L129 HydrophobicContact CG2-CD1 3.81Å; I114-L129 HydrophobicContact CG2-CD2 4.36Å; A118-L129 HydrophobicContact CB-CD2 3.86Å; W126-L129 HydrophobicContact CB-CB 4.27Å; W126-L129 HydrophobicContact CD2-CB 3.85Å; W126-L129 HydrophobicContact CD2-CD1 4.21Å; W126-L129 HydrophobicContact CD2-CD2 4.08Å; W126-L129 HydrophobicContact CD2-CG 4.26Å; W126-L129 HydrophobicContact CE3-CB 4.44Å; W126-L129 HydrophobicContact CE3-CD1 4.26Å; W126-L129 HydrophobicContact CE3-CD2 3.8Å; W126-L129 HydrophobicContact CE3-CG 4.39Å; W126-L129 HydrophobicContact CG-CB 3.75Å; W126-L129 HydrophobicContact CH2-CD1 4.05Å; W126-L129 HydrophobicContact CZ2-CD1 4Å; W126-L129 HydrophobicContact CZ3-CD1 4.18Å; W126-L129 HydrophobicContact CZ3-CD2 4.24Å; W126-L129 VanDerWaalsContact O-CB 3.26Å; W126-L129 WeakPolarHBondContact O-CB 3.23Å; W126-L129 PolarHBondContact O-N 3.41Å; W126-L129 VanDerWaalsContact O-N 3.08Å; P127-L129 VanDerWaalsContact C-N 3.32Å; P127-L129 PolarHBondContact O-N 3.17Å; L129-K132 PolarHBondContact O-N 2.98Å; L129-L133 HydrophobicContact CD1-CD1 3.7Å; L129-L133 HydrophobicContact CD1-CG 3.98Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 WeakPolarHBondContact O-CG 3.22Å; L129-L133 PolarHBondContact O-N 3.3Å; L129-I155 HydrophobicContact CD2-CD1 3.99Å |
| 130 | L | 94.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | -175.9 | -59.7 | 176.9 | 0 | 0 | 0 | 112.4 | L123 K132 L133 C134 L152 I155 L163 P171 M175 | L123-L130 HydrophobicContact CD2-CD1 3.74Å; L123-L130 HydrophobicContact CD2-CD2 4.16Å; L123-L130 HydrophobicContact CD2-CG 4.05Å; L130-K132 VanDerWaalsContact C-N 3.28Å; L130-K132 PolarHBondContact O-N 3.42Å; L130-L133 PolarHBondContact O-N 2.92Å; L130-C134 WeakPolarHBondContact O-CB 3.08Å; L130-C134 PolarHBondContact O-N 2.98Å; L130-C134 PolarHBondContact O-SG 2.82Å; L130-L152 HydrophobicContact CD2-CD2 4.2Å; L130-I155 HydrophobicContact CD2-CD1 4.48Å; L130-I155 HydrophobicContact CD2-CG2 4.11Å; L130-L163 HydrophobicContact CD1-CD2 3.49Å; L130-L163 VanDerWaalsContact CD1-CD2 3.49Å; L130-L163 HydrophobicContact CD2-CD2 4.31Å; L130-P171 HydrophobicContact CD1-CB 3.8Å; L130-P171 HydrophobicContact CD1-CG 3.89Å; L130-M175 HydrophobicContact CB-SD 4.5Å; L130-M175 HydrophobicContact CD1-SD 4.19Å; L130-M175 HydrophobicContact CD2-CE 4.35Å; L130-M175 HydrophobicContact CD2-SD 4.43Å |
| 131 | P | 94.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 175.5 | -24.4 | 35.1 | 0 | 0 | 0 | 112.6 | P127 L135 | P127-P131 WeakPolarHBondContact O-CD 3.28Å; P131-L135 PolarHBondContact O-N 3.4Å; P131-L135 VanDerWaalsContact O-N 3.08Å |
| 132 | K | 95.3 | Very high | 93 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 179.9 | -174.4 | 59.7 | 173.4 | 179.8 | 0 | 111.8 | L96 E128 L129 L130 C134 L135 L136 | L96-K132 HydrophobicContact CD1-CG 4.19Å; E128-K132 WeakPolarHBondContact O-CB 3.33Å; E128-K132 PolarHBondContact O-N 3.35Å; L129-K132 PolarHBondContact O-N 2.98Å; L130-K132 VanDerWaalsContact C-N 3.28Å; L130-K132 PolarHBondContact O-N 3.42Å; K132-C134 VanDerWaalsContact C-N 3.34Å; K132-C134 PolarHBondContact O-N 2.99Å; K132-L135 PolarHBondContact O-N 2.7Å; K132-L136 HydrophobicContact CG-CD1 4.14Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 3.43Å; K132-L136 PolarHBondContact O-N 3.25Å |
| 133 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.4 | -69.8 | 175.8 | 0 | 0 | 0 | 111.2 | L96 I99 L129 L130 L135 L136 L137 A148 A151 L152 I155 | L96-L133 HydrophobicContact CD2-CD2 4.05Å; L96-L133 HydrophobicContact CD2-CG 4.49Å; I99-L133 HydrophobicContact CD1-CD2 3.39Å; L129-L133 HydrophobicContact CD1-CD1 3.7Å; L129-L133 HydrophobicContact CD1-CG 3.98Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 WeakPolarHBondContact O-CG 3.22Å; L129-L133 PolarHBondContact O-N 3.3Å; L130-L133 PolarHBondContact O-N 2.92Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 2.66Å; L133-L136 HydrophobicContact CD2-CD1 4.34Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-L136 VanDerWaalsContact O-N 3.11Å; L133-L137 PolarHBondContact O-N 2.7Å; L133-A148 HydrophobicContact CD2-CB 4.3Å; L133-A151 HydrophobicContact CD1-CB 4.29Å; L133-A151 HydrophobicContact CD2-CB 4.3Å; L133-L152 HydrophobicContact CB-CD1 4.01Å; L133-L152 HydrophobicContact CB-CD2 3.8Å; L133-L152 HydrophobicContact CB-CG 3.85Å; L133-L152 HydrophobicContact CD1-CD2 3.84Å; L133-L152 HydrophobicContact CD1-CG 4.04Å; L133-L152 HydrophobicContact CG-CD2 4.49Å; L133-I155 HydrophobicContact CD1-CD1 3.79Å |
| 134 | C | 95.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -31 | 176.2 | -70 | 0 | 0 | 0 | 0 | 113.6 | L130 K132 K178 | L130-C134 WeakPolarHBondContact O-CB 3.08Å; L130-C134 PolarHBondContact O-N 2.98Å; L130-C134 PolarHBondContact O-SG 2.82Å; K132-C134 VanDerWaalsContact C-N 3.34Å; K132-C134 PolarHBondContact O-N 2.99Å; C134-K178 VanDerWaalsContact O-CE 3.27Å; C134-K178 WeakPolarHBondContact O-CE 3.18Å; C134-K178 PolarHBondContact O-NZ 3.41Å |
| 135 | L | 95.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.7 | -35.6 | 174.1 | -179.6 | 138.5 | 0 | 0 | 0 | 111.7 | P131 K132 L133 L137 D138 | P131-L135 PolarHBondContact O-N 3.4Å; P131-L135 VanDerWaalsContact O-N 3.08Å; K132-L135 PolarHBondContact O-N 2.7Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 2.66Å; L135-L137 PolarHBondContact O-N 3.13Å; L135-D138 PolarHBondContact O-N 2.92Å; L135-D138 VanDerWaalsContact O-N 3.12Å |
| 136 | L | 96.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -22.3 | 176.9 | -70.6 | 164.2 | 0 | 0 | 0 | 112.9 | I99 K132 L133 D138 S139 T144 A148 | I99-L136 HydrophobicContact CG2-CD1 4.06Å; K132-L136 HydrophobicContact CG-CD1 4.14Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 3.43Å; K132-L136 PolarHBondContact O-N 3.25Å; L133-L136 HydrophobicContact CD2-CD1 4.34Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-L136 VanDerWaalsContact O-N 3.11Å; L136-D138 PolarHBondContact O-N 3.2Å; L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.09Å; L136-S139 VanDerWaalsContact O-N 3.14Å; L136-T144 HydrophobicContact CB-CG2 4.16Å; L136-T144 HydrophobicContact CD2-CG2 3.65Å; L136-T144 HydrophobicContact CG-CG2 4.45Å; L136-A148 HydrophobicContact CB-CB 3.83Å |
| 137 | L | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.9 | 170.9 | -62.9 | -173 | 0 | 0 | 0 | 113.4 | L133 L135 S139 C145 A148 F149 L152 F179 F182 | L133-L137 PolarHBondContact O-N 2.7Å; L135-L137 PolarHBondContact O-N 3.13Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 2.75Å; L137-C145 PolarHBondContact O-SG 2.92Å; L137-C145 VanDerWaalsContact O-SG 3.33Å; L137-A148 HydrophobicContact CD2-CB 3.86Å; L137-F149 HydrophobicContact CD1-CE1 4.32Å; L137-F149 HydrophobicContact CD1-CE2 4.06Å; L137-F149 HydrophobicContact CD1-CZ 3.95Å; L137-F149 HydrophobicContact CD2-CB 4.27Å; L137-F149 HydrophobicContact CD2-CD1 4.36Å; L137-F149 HydrophobicContact CD2-CD2 3.39Å; L137-F149 HydrophobicContact CD2-CE2 3.68Å; L137-F149 HydrophobicContact CD2-CG 3.76Å; L137-F149 HydrophobicContact CD2-CZ 4.28Å; L137-F149 HydrophobicContact CG-CE2 4.38Å; L137-L152 HydrophobicContact CD1-CD1 3.82Å; L137-L152 HydrophobicContact CD2-CD1 4.1Å; L137-L152 HydrophobicContact CG-CD1 4.07Å; L137-F179 HydrophobicContact CD1-CD1 4.26Å; L137-F179 HydrophobicContact CD1-CE1 4.04Å; L137-F182 HydrophobicContact CB-CE2 4.06Å; L137-F182 HydrophobicContact CB-CZ 3.81Å; L137-F182 HydrophobicContact CD1-CE2 4.27Å; L137-F182 WeakPolarHBondContact O-CZ 3.47Å |
| 138 | D | 95.3 | Very high | 94.8 | Very high | 97 Ų | 97 | 49 Ų | 49 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 3.3 | 178.1 | -55.9 | -31.9 | 0 | 0 | 0 | 112.9 | L135 L136 K178 | L135-D138 PolarHBondContact O-N 2.92Å; L135-D138 VanDerWaalsContact O-N 3.12Å; L136-D138 PolarHBondContact O-N 3.2Å; D138-K178 WeakPolarHBondContact OD1-CE 3.47Å; D138-K178 IonicContact OD1-NZ 2.89Å; D138-K178 PolarHBondContact OD1-NZ 3.08Å; D138-K178 IonicContact OD2-NZ 3.69Å; D138-K178 PolarHBondContact OD2-NZ 3.44Å |
| 139 | S | 94.7 | Very high | 95 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | trans | -63.5 | 140.1 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | L136 L137 D141 | L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.09Å; L136-S139 VanDerWaalsContact O-N 3.14Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 2.75Å; S139-D141 PolarHBondContact O-N 2.89Å; S139-D141 PolarHBondContact OG-N 2.86Å | ||
| 140 | E | 92.1 | Very high | 94.9 | Very high | 203 Ų | 203 | 45.8 Ų | 45.8 | 95% | 0.949 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -69.6 | -20.4 | 171.1 | -64.5 | -172.8 | 172.1 | 0 | 0 | 112.2 | Y142 | E140-Y142 PolarHBondContact O-N 3.44Š|
| 141 | D | 94.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | trans | -79.6 | 116.9 | 175.5 | 175.2 | 55.3 | 0 | 0 | 0 | 111.3 | S139 N143 T144 C145 | S139-D141 PolarHBondContact O-N 2.89Å; S139-D141 PolarHBondContact OG-N 2.86Å; D141-N143 VanDerWaalsContact C-N 3.31Å; D141-N143 PolarHBondContact O-N 3.47Å; D141-T144 WeakPolarHBondContact O-CB 3.36Å; D141-T144 PolarHBondContact O-N 3.22Å; D141-T144 VanDerWaalsContact OD2-CB 3.31Å; D141-T144 WeakPolarHBondContact OD2-CB 3.43Å; D141-T144 PolarHBondContact OD2-N 2.85Å; D141-T144 PolarHBondContact OD2-OG1 3.01Å; D141-C145 PolarHBondContact O-N 3.4Å; D141-C145 VanDerWaalsContact O-N 3.09Å | ||
| 142 | Y | 94.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 38% | 0.384 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.2 | -43.8 | -179.9 | 173.8 | -100 | 0 | 0 | 0 | 112.8 | E140 T144 C145 E146 S187 I190 | E140-Y142 PolarHBondContact O-N 3.44Å; Y142-T144 VanDerWaalsContact C-N 3.33Å; Y142-T144 PolarHBondContact O-N 2.74Å; Y142-C145 PolarHBondContact O-N 3.36Å; Y142-E146 HydrophobicContact CE1-CB 4.39Å; Y142-E146 VanDerWaalsContact O-CB 3.31Å; Y142-E146 WeakPolarHBondContact O-CB 3.2Å; Y142-E146 PolarHBondContact O-N 3.44Å; Y142-S187 WeakPolarHBondContact CE2-OG 3.09Å; Y142-S187 PolarHBondContact OH-OG 3.44Å; Y142-I190 HydrophobicContact CD2-CD1 3.93Å; Y142-I190 HydrophobicContact CE2-CD1 3.66Å; Y142-I190 HydrophobicContact CE2-CG1 4.28Å |
| 143 | N | 95.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | -176.2 | -66.8 | -45.5 | 0 | 0 | 0 | 111.5 | G100 R107 D141 G147 | G100-N143 WeakPolarHBondContact O-CB 3.46Å; R107-N143 PolarHBondContact NH1-OD1 3.16Å; D141-N143 VanDerWaalsContact C-N 3.31Å; D141-N143 PolarHBondContact O-N 3.47Å; N143-G147 PolarHBondContact O-N 3.02Å |
| 144 | T | 95.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 174 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | I99 L136 D141 Y142 A148 | I99-T144 HydrophobicContact CG2-CG2 4.31Å; L136-T144 HydrophobicContact CB-CG2 4.16Å; L136-T144 HydrophobicContact CD2-CG2 3.65Å; L136-T144 HydrophobicContact CG-CG2 4.45Å; D141-T144 WeakPolarHBondContact O-CB 3.36Å; D141-T144 PolarHBondContact O-N 3.22Å; D141-T144 VanDerWaalsContact OD2-CB 3.31Å; D141-T144 WeakPolarHBondContact OD2-CB 3.43Å; D141-T144 PolarHBondContact OD2-N 2.85Å; D141-T144 PolarHBondContact OD2-OG1 3.01Å; Y142-T144 VanDerWaalsContact C-N 3.33Å; Y142-T144 PolarHBondContact O-N 2.74Å; T144-A148 VanDerWaalsContact O-CB 3.28Å; T144-A148 WeakPolarHBondContact O-CB 3.32Å; T144-A148 PolarHBondContact O-N 3.42Å |
| 145 | C | 95.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | L137 D141 Y142 A148 F149 I190 | L137-C145 PolarHBondContact O-SG 2.92Å; L137-C145 VanDerWaalsContact O-SG 3.33Å; D141-C145 PolarHBondContact O-N 3.4Å; D141-C145 VanDerWaalsContact O-N 3.09Å; Y142-C145 PolarHBondContact O-N 3.36Å; C145-A148 PolarHBondContact O-N 3.33Å; C145-F149 PolarHBondContact O-N 2.95Å; C145-I190 HydrophobicContact CB-CD1 4.42Å |
| 146 | E | 94.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 179.4 | -173.9 | -97.2 | 164 | 0 | 0 | 112.6 | R107 Y142 A148 F149 G150 K189 | R107-E146 IonicContact CZ-OE2 2.82Å; R107-E146 VanDerWaalsContact CZ-OE2 3.28Å; R107-E146 IonicContact NE-OE2 3.97Å; R107-E146 PolarHBondContact NE-OE2 3.47Å; R107-E146 IonicContact NH2-OE2 3.04Å; R107-E146 PolarHBondContact NH2-OE2 3.22Å; Y142-E146 HydrophobicContact CE1-CB 4.39Å; Y142-E146 VanDerWaalsContact O-CB 3.31Å; Y142-E146 WeakPolarHBondContact O-CB 3.2Å; Y142-E146 PolarHBondContact O-N 3.44Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 2.99Å; E146-F149 PolarHBondContact O-N 3.2Å; E146-G150 PolarHBondContact O-N 3.25Å; E146-K189 HydrophobicContact CG-CD 4.07Å; E146-K189 WeakPolarHBondContact OE1-CE 3.49Å; E146-K189 IonicContact OE1-NZ 2.7Å; E146-K189 PolarHBondContact OE1-NZ 2.71Å |
| 147 | G | 93.7 | Very high | 94 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N143 G150 A151 | N143-G147 PolarHBondContact O-N 3.02Å; G147-G150 PolarHBondContact O-N 2.86Å; G147-A151 PolarHBondContact O-N 2.89Å; G147-A151 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I99 L133 L136 L137 T144 C145 E146 A151 L152 | I99-A148 HydrophobicContact CD1-CB 4.21Å; L133-A148 HydrophobicContact CD2-CB 4.3Å; L136-A148 HydrophobicContact CB-CB 3.83Å; L137-A148 HydrophobicContact CD2-CB 3.86Å; T144-A148 VanDerWaalsContact O-CB 3.28Å; T144-A148 WeakPolarHBondContact O-CB 3.32Å; T144-A148 PolarHBondContact O-N 3.42Å; C145-A148 PolarHBondContact O-N 3.33Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 2.99Å; A148-A151 PolarHBondContact O-N 3.42Å; A148-L152 WeakPolarHBondContact O-CB 3.29Å; A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.16Å |
| 149 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.7 | -106.9 | -58.7 | 0 | 0 | 0 | 112.5 | L137 C145 E146 A151 L152 Q153 F179 F182 I190 H193 A194 | L137-F149 HydrophobicContact CD1-CE1 4.32Å; L137-F149 HydrophobicContact CD1-CE2 4.06Å; L137-F149 HydrophobicContact CD1-CZ 3.95Å; L137-F149 HydrophobicContact CD2-CB 4.27Å; L137-F149 HydrophobicContact CD2-CD1 4.36Å; L137-F149 HydrophobicContact CD2-CD2 3.39Å; L137-F149 HydrophobicContact CD2-CE2 3.68Å; L137-F149 HydrophobicContact CD2-CG 3.76Å; L137-F149 HydrophobicContact CD2-CZ 4.28Å; L137-F149 HydrophobicContact CG-CE2 4.38Å; C145-F149 PolarHBondContact O-N 2.95Å; E146-F149 PolarHBondContact O-N 3.2Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.98Å; F149-L152 PolarHBondContact O-N 3.17Å; F149-Q153 WeakPolarHBondContact O-CB 3.49Å; F149-Q153 PolarHBondContact O-N 2.94Å; F149-F179 AromaticContact CE1-CD1 3.74Å; F149-F179 HydrophobicContact CE1-CD1 3.74Å; F149-F179 HydrophobicContact CE1-CE1 4.12Å; F149-F179 HydrophobicContact CE1-CG 4.47Å; F149-F179 HydrophobicContact CZ-CD1 4.1Å; F149-F182 HydrophobicContact CE2-CB 3.94Å; F149-F182 AromaticContact CE2-CD1 3.83Å; F149-F182 HydrophobicContact CE2-CD1 3.83Å; F149-F182 AromaticContact CE2-CD2 3.92Å; F149-F182 HydrophobicContact CE2-CD2 3.92Å; F149-F182 HydrophobicContact CE2-CE1 4.31Å; F149-F182 HydrophobicContact CE2-CE2 4.42Å; F149-F182 AromaticContact CE2-CG 3.62Å; F149-F182 HydrophobicContact CE2-CG 3.62Å; F149-F182 HydrophobicContact CZ-CB 3.8Å; F149-F182 HydrophobicContact CZ-CD1 4.43Å; F149-F182 AromaticContact CZ-CD2 3.8Å; F149-F182 HydrophobicContact CZ-CD2 3.8Å; F149-F182 AromaticContact CZ-CG 3.76Å; F149-F182 HydrophobicContact CZ-CG 3.76Å; F149-I190 HydrophobicContact CD2-CG2 3.97Å; F149-I190 HydrophobicContact CE2-CG2 3.76Å; F149-H193 HydrophobicContact CB-CB 3.75Å; F149-H193 HydrophobicContact CD1-CB 3.65Å; F149-H193 HydrophobicContact CE1-CB 4.44Å; F149-H193 HydrophobicContact CG-CB 3.76Å; F149-A194 HydrophobicContact CE1-CB 4.08Å; F149-A194 HydrophobicContact CZ-CB 3.99Å |
| 150 | G | 91.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E146 G147 K154 | E146-G150 PolarHBondContact O-N 3.25Å; G147-G150 PolarHBondContact O-N 2.86Å; G150-K154 PolarHBondContact O-N 3.37Å |
| 151 | A | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I99 I114 L133 G147 A148 F149 K154 I155 | I99-A151 HydrophobicContact CD1-CB 4.15Å; I114-A151 HydrophobicContact CG2-CB 4.36Å; L133-A151 HydrophobicContact CD1-CB 4.29Å; L133-A151 HydrophobicContact CD2-CB 4.3Å; G147-A151 PolarHBondContact O-N 2.89Å; G147-A151 VanDerWaalsContact O-N 3.08Å; A148-A151 PolarHBondContact O-N 3.42Å; F149-A151 VanDerWaalsContact C-N 3.33Å; F149-A151 PolarHBondContact O-N 2.98Å; A151-K154 PolarHBondContact O-N 3.29Å; A151-I155 WeakPolarHBondContact O-CD1 3.32Å; A151-I155 VanDerWaalsContact O-CG1 3.25Å; A151-I155 WeakPolarHBondContact O-CG1 3.32Å; A151-I155 PolarHBondContact O-N 3.29Å |
| 152 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.7 | -76.4 | 168.2 | 0 | 0 | 0 | 112.3 | L130 L133 L137 A148 F149 K154 I155 C156 M175 F179 | L130-L152 HydrophobicContact CD2-CD2 4.2Å; L133-L152 HydrophobicContact CB-CD1 4.01Å; L133-L152 HydrophobicContact CB-CD2 3.8Å; L133-L152 HydrophobicContact CB-CG 3.85Å; L133-L152 HydrophobicContact CD1-CD2 3.84Å; L133-L152 HydrophobicContact CD1-CG 4.04Å; L133-L152 HydrophobicContact CG-CD2 4.49Å; L137-L152 HydrophobicContact CD1-CD1 3.82Å; L137-L152 HydrophobicContact CD2-CD1 4.1Å; L137-L152 HydrophobicContact CG-CD1 4.07Å; A148-L152 WeakPolarHBondContact O-CB 3.29Å; A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.16Å; F149-L152 PolarHBondContact O-N 3.17Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 2.99Å; L152-I155 PolarHBondContact O-N 3.01Å; L152-C156 PolarHBondContact O-N 3.22Å; L152-C156 PolarHBondContact O-SG 3.36Å; L152-M175 HydrophobicContact CD2-CE 4Å; L152-F179 HydrophobicContact CD1-CE1 4.04Å; L152-F179 HydrophobicContact CD1-CZ 4.4Å |
| 153 | Q | 93.9 | Very high | 91.8 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.3 | -50.2 | 176.2 | -179.1 | -173.1 | -18.9 | 0 | 0 | 110.2 | F149 I155 C156 E157 H193 A196 C197 | F149-Q153 WeakPolarHBondContact O-CB 3.49Å; F149-Q153 PolarHBondContact O-N 2.94Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.36Å; Q153-C156 WeakPolarHBondContact O-CB 3.33Å; Q153-C156 PolarHBondContact O-N 2.98Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.45Å; Q153-E157 PolarHBondContact NE2-OE1 3.19Å; Q153-E157 WeakPolarHBondContact O-CG 3.28Å; Q153-E157 PolarHBondContact O-N 2.97Å; Q153-H193 PolarHBondContact OE1-CE1 3.04Å; Q153-H193 PolarHBondContact OE1-ND1 3.01Å; Q153-A196 HydrophobicContact CG-CB 4.22Å; Q153-C197 WeakPolarHBondContact CA-SG 3.21Å |
| 154 | K | 89.9 | Confident | 91.2 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 34% | 0.335 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.9 | -34.2 | -177.9 | -170.8 | 52.2 | 172.8 | 160.1 | 0 | 112.9 | T115 G150 A151 L152 C156 E157 D158 | T115-K154 HydrophobicContact CG2-CB 3.54Å; T115-K154 HydrophobicContact CG2-CG 3.58Å; G150-K154 PolarHBondContact O-N 3.37Å; A151-K154 PolarHBondContact O-N 3.29Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 2.99Å; K154-C156 VanDerWaalsContact C-N 3.34Å; K154-E157 HydrophobicContact CD-CB 4.47Å; K154-E157 WeakPolarHBondContact CD-OE2 3.36Å; K154-E157 IonicContact NZ-OE2 2.65Å; K154-E157 PolarHBondContact NZ-OE2 3.19Å; K154-E157 VanDerWaalsContact NZ-OE2 3.12Å; K154-E157 PolarHBondContact O-N 2.95Å; K154-D158 VanDerWaalsContact CE-OD1 3.24Å; K154-D158 WeakPolarHBondContact CE-OD1 3.4Å; K154-D158 VanDerWaalsContact CE-OD2 3.25Å; K154-D158 WeakPolarHBondContact CE-OD2 3.45Å; K154-D158 IonicContact NZ-OD1 3.93Å; K154-D158 PolarHBondContact NZ-OD1 3.26Å; K154-D158 IonicContact NZ-OD2 3.85Å; K154-D158 WeakPolarHBondContact O-CB 3.26Å; K154-D158 VanDerWaalsContact O-CG 3.32Å; K154-D158 PolarHBondContact O-N 3.04Å |
| 155 | I | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 171.2 | -67.6 | 163.7 | 0 | 0 | 0 | 111.2 | T115 A118 L123 L129 L130 L133 A151 L152 Q153 S159 L163 | T115-I155 HydrophobicContact CG2-CG1 4.33Å; A118-I155 HydrophobicContact CB-CG1 4.46Å; L123-I155 HydrophobicContact CD1-CG2 4.09Å; L123-I155 HydrophobicContact CD2-CG2 4.19Å; L129-I155 HydrophobicContact CD2-CD1 3.99Å; L130-I155 HydrophobicContact CD2-CD1 4.48Å; L130-I155 HydrophobicContact CD2-CG2 4.11Å; L133-I155 HydrophobicContact CD1-CD1 3.79Å; A151-I155 WeakPolarHBondContact O-CD1 3.32Å; A151-I155 VanDerWaalsContact O-CG1 3.25Å; A151-I155 WeakPolarHBondContact O-CG1 3.32Å; A151-I155 PolarHBondContact O-N 3.29Å; L152-I155 PolarHBondContact O-N 3.01Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.36Å; I155-S159 WeakPolarHBondContact O-CA 3.44Å; I155-S159 VanDerWaalsContact O-CB 3.31Å; I155-S159 WeakPolarHBondContact O-CB 3.3Å; I155-S159 PolarHBondContact O-N 3.43Å; I155-L163 HydrophobicContact CG2-CD1 4.31Å |
| 156 | C | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | L152 Q153 K154 A160 Q200 F201 | L152-C156 PolarHBondContact O-N 3.22Å; L152-C156 PolarHBondContact O-SG 3.36Å; Q153-C156 WeakPolarHBondContact O-CB 3.33Å; Q153-C156 PolarHBondContact O-N 2.98Å; K154-C156 VanDerWaalsContact C-N 3.34Å; C156-A160 WeakPolarHBondContact O-CA 3.42Å; C156-A160 WeakPolarHBondContact O-CB 3.26Å; C156-A160 PolarHBondContact O-N 2.97Å; C156-Q200 HydrophobicContact CB-CB 4.23Å; C156-Q200 HydrophobicContact CB-CG 3.82Å; C156-F201 HydrophobicContact CB-CE2 3.98Å; C156-F201 HydrophobicContact CB-CZ 3.81Å |
| 157 | E | 89.9 | Confident | 89 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.3 | -70.1 | 168.6 | -169.4 | 0 | 0 | 112.1 | Q153 K154 Q200 | Q153-E157 WeakPolarHBondContact CG-OE1 3.45Å; Q153-E157 PolarHBondContact NE2-OE1 3.19Å; Q153-E157 WeakPolarHBondContact O-CG 3.28Å; Q153-E157 PolarHBondContact O-N 2.97Å; K154-E157 HydrophobicContact CD-CB 4.47Å; K154-E157 WeakPolarHBondContact CD-OE2 3.36Å; K154-E157 IonicContact NZ-OE2 2.65Å; K154-E157 PolarHBondContact NZ-OE2 3.19Å; K154-E157 VanDerWaalsContact NZ-OE2 3.12Å; K154-E157 PolarHBondContact O-N 2.95Å; E157-Q200 HydrophobicContact CG-CG 4.39Å |
| 158 | D | 86.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -86.4 | -10.5 | -171.4 | -63.5 | -13.6 | 0 | 0 | 0 | 113.2 | K154 | K154-D158 VanDerWaalsContact CE-OD1 3.24Å; K154-D158 WeakPolarHBondContact CE-OD1 3.4Å; K154-D158 VanDerWaalsContact CE-OD2 3.25Å; K154-D158 WeakPolarHBondContact CE-OD2 3.45Å; K154-D158 IonicContact NZ-OD1 3.93Å; K154-D158 PolarHBondContact NZ-OD1 3.26Å; K154-D158 IonicContact NZ-OD2 3.85Å; K154-D158 WeakPolarHBondContact O-CB 3.26Å; K154-D158 VanDerWaalsContact O-CG 3.32Å; K154-D158 PolarHBondContact O-N 3.04Å |
| 159 | S | 88.9 | Confident | 87.9 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -146.2 | 28.4 | -170.8 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | I155 E161 I162 L163 | I155-S159 WeakPolarHBondContact O-CA 3.44Å; I155-S159 VanDerWaalsContact O-CB 3.31Å; I155-S159 WeakPolarHBondContact O-CB 3.3Å; I155-S159 PolarHBondContact O-N 3.43Å; S159-E161 VanDerWaalsContact C-N 3.33Å; S159-E161 PolarHBondContact O-N 2.98Å; S159-I162 PolarHBondContact O-N 2.83Å; S159-L163 VanDerWaalsContact O-CG 3.31Å; S159-L163 WeakPolarHBondContact O-CG 3.43Å; S159-L163 PolarHBondContact O-N 3.15Å; S159-L163 VanDerWaalsContact O-N 3.1Å |
| 160 | A | 87.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -50.9 | -48 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C156 I162 L163 D164 F201 | C156-A160 WeakPolarHBondContact O-CA 3.42Å; C156-A160 WeakPolarHBondContact O-CB 3.26Å; C156-A160 PolarHBondContact O-N 2.97Å; A160-I162 PolarHBondContact O-N 3.37Å; A160-L163 PolarHBondContact O-N 3.01Å; A160-D164 PolarHBondContact O-N 2.96Å; A160-F201 HydrophobicContact CB-CE1 4.07Å |
| 161 | E | 85.6 | Confident | 87.5 | Confident | 175 Ų | 175 | 58.5 Ų | 58.5 | 82% | 0.818 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | -179.2 | -62.7 | -177 | 173.2 | 0 | 0 | 112.8 | S159 L163 D164 S165 | S159-E161 VanDerWaalsContact C-N 3.33Å; S159-E161 PolarHBondContact O-N 2.98Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.25Å; E161-D164 PolarHBondContact O-N 3.33Å; E161-S165 PolarHBondContact O-N 2.67Å |
| 162 | I | 86.2 | Confident | 87.5 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | -179.3 | -57.7 | 173.5 | 0 | 0 | 0 | 109.9 | S159 A160 D164 S165 L168 | S159-I162 PolarHBondContact O-N 2.83Å; A160-I162 PolarHBondContact O-N 3.37Å; I162-D164 VanDerWaalsContact C-N 3.3Å; I162-D164 PolarHBondContact O-N 3.06Å; I162-S165 WeakPolarHBondContact O-CB 3.35Å; I162-S165 PolarHBondContact O-N 3.27Å; I162-S165 VanDerWaalsContact O-N 3.15Å; I162-S165 PolarHBondContact O-OG 3.11Å; I162-L168 HydrophobicContact CG2-CD1 3.79Å; I162-L168 HydrophobicContact CG2-CG 4.42Å |
| 163 | L | 86.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -28.9 | 179.1 | -67.1 | 171 | 0 | 0 | 0 | 113 | L123 L130 I155 S159 A160 E161 S165 L168 P171 L172 F201 | L123-L163 HydrophobicContact CD2-CD2 3.84Å; L130-L163 HydrophobicContact CD1-CD2 3.49Å; L130-L163 VanDerWaalsContact CD1-CD2 3.49Å; L130-L163 HydrophobicContact CD2-CD2 4.31Å; I155-L163 HydrophobicContact CG2-CD1 4.31Å; S159-L163 VanDerWaalsContact O-CG 3.31Å; S159-L163 WeakPolarHBondContact O-CG 3.43Å; S159-L163 PolarHBondContact O-N 3.15Å; S159-L163 VanDerWaalsContact O-N 3.1Å; A160-L163 PolarHBondContact O-N 3.01Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.25Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-L168 HydrophobicContact CD2-CD1 4.48Å; L163-P171 HydrophobicContact CD2-CG 4.02Å; L163-P171 WeakPolarHBondContact O-CD 3.46Å; L163-L172 HydrophobicContact CB-CD1 3.93Å; L163-L172 HydrophobicContact CB-CD2 3.92Å; L163-L172 HydrophobicContact CB-CG 3.88Å; L163-L172 HydrophobicContact CD1-CD2 4.41Å; L163-L172 WeakPolarHBondContact O-CG 3.4Å; L163-F201 HydrophobicContact CB-CE1 4.29Å; L163-F201 HydrophobicContact CD1-CE1 4.2Å; L163-F201 HydrophobicContact CD1-CZ 3.79Å |
| 164 | D | 82.1 | Confident | 87.4 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.6 | -8.4 | 174.8 | -150.8 | 7.8 | 0 | 0 | 0 | 112.8 | A160 E161 I162 L172 T206 | A160-D164 PolarHBondContact O-N 2.96Å; E161-D164 PolarHBondContact O-N 3.33Å; I162-D164 VanDerWaalsContact C-N 3.3Å; I162-D164 PolarHBondContact O-N 3.06Å; D164-L172 HydrophobicContact CB-CD1 3.97Å; D164-T206 WeakPolarHBondContact OD1-CG2 3.23Å; D164-T206 WeakPolarHBondContact OD2-CA 3.47Å; D164-T206 WeakPolarHBondContact OD2-CB 3.49Å; D164-T206 PolarHBondContact OD2-OG1 2.92Å |
| 165 | S | 80.9 | Confident | 87.7 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -76.5 | 152.4 | -179.1 | 82.3 | 0 | 0 | 0 | 0 | 113.3 | E161 I162 L163 M167 | E161-S165 PolarHBondContact O-N 2.67Å; I162-S165 WeakPolarHBondContact O-CB 3.35Å; I162-S165 PolarHBondContact O-N 3.27Å; I162-S165 VanDerWaalsContact O-N 3.15Å; I162-S165 PolarHBondContact O-OG 3.11Å; L163-S165 VanDerWaalsContact C-N 3.33Å; S165-M167 PolarHBondContact O-N 3.19Å; S165-M167 WeakPolarHBondContact OG-CB 3.36Å; S165-M167 PolarHBondContact OG-N 3.21Å |
| 166 | D | 78.9 | Confident | 87.9 | Confident | 110 Ų | 110 | 61.5 Ų | 61.5 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -66.4 | -12.3 | 172.6 | -74.3 | -28.6 | 0 | 0 | 0 | 113 | L168 D169 R170 | D166-L168 VanDerWaalsContact C-N 3.26Å; D166-L168 PolarHBondContact O-N 3.44Å; D166-D169 PolarHBondContact O-N 3.49Å; D166-R170 IonicContact OD1-CZ 3.3Å; D166-R170 IonicContact OD1-NE 3.52Å; D166-R170 PolarHBondContact OD1-NE 3.03Å; D166-R170 IonicContact OD1-NH2 3.33Å; D166-R170 PolarHBondContact OD1-NH2 2.76Å; D166-R170 IonicContact OD2-NH2 3.79Å |
| 167 | M | 79.4 | Confident | 88 | Confident | 148 Ų | 148 | 63.1 Ų | 63.1 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -65.1 | -28.2 | -175.7 | -59.2 | -161.8 | -167.7 | 0 | 0 | 113.3 | S165 | S165-M167 PolarHBondContact O-N 3.19Å; S165-M167 WeakPolarHBondContact OG-CB 3.36Å; S165-M167 PolarHBondContact OG-N 3.21Å |
| 168 | L | 81.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -106.2 | 16.4 | -178.6 | -66.7 | 177.2 | 0 | 0 | 0 | 113.5 | L123 Q124 I162 L163 D166 R170 P171 | L123-L168 HydrophobicContact CB-CD1 4.08Å; L123-L168 HydrophobicContact CD2-CD1 3.73Å; Q124-L168 HydrophobicContact CB-CD2 4.2Å; I162-L168 HydrophobicContact CG2-CD1 3.79Å; I162-L168 HydrophobicContact CG2-CG 4.42Å; L163-L168 HydrophobicContact CD2-CD1 4.48Å; D166-L168 VanDerWaalsContact C-N 3.26Å; D166-L168 PolarHBondContact O-N 3.44Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.5Å; L168-P171 HydrophobicContact CB-CG 4.01Å; L168-P171 HydrophobicContact CD1-CG 4.44Å |
| 169 | D | 85.9 | Confident | 88.9 | Confident | 148 Ų | 148 | 57.5 Ų | 57.5 | 79% | 0.791 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 38.6 | -175.1 | -161.6 | 29.3 | 0 | 0 | 0 | 113 | D166 | D166-D169 PolarHBondContact O-N 3.49Š|
| 170 | R | 85.6 | Confident | 89.3 | Confident | 119 Ų | 119 | 57.5 Ų | 57.5 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | trans | 49.6 | 63.6 | 176.1 | -58.2 | -174.8 | -177.4 | -152.3 | -8.7 | 114 | D166 L168 L172 N173 | D166-R170 IonicContact OD1-CZ 3.3Å; D166-R170 IonicContact OD1-NE 3.52Å; D166-R170 PolarHBondContact OD1-NE 3.03Å; D166-R170 IonicContact OD1-NH2 3.33Å; D166-R170 PolarHBondContact OD1-NH2 2.76Å; D166-R170 IonicContact OD2-NH2 3.79Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 3.5Å; R170-L172 PolarHBondContact O-N 3.07Å; R170-L172 VanDerWaalsContact O-N 3.11Å; R170-N173 VanDerWaalsContact CB-ND2 3.31Å; R170-N173 WeakPolarHBondContact CB-ND2 3.26Å; R170-N173 WeakPolarHBondContact O-CB 3.39Å; R170-N173 PolarHBondContact O-N 3.08Å; R170-N173 PolarHBondContact O-ND2 3.21Å | ||
| 171 | P | 92.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26 | -175.5 | 27 | -36.4 | 0 | 0 | 0 | 113.4 | L130 L163 L168 N173 V174 M175 | L130-P171 HydrophobicContact CD1-CB 3.8Å; L130-P171 HydrophobicContact CD1-CG 3.89Å; L163-P171 HydrophobicContact CD2-CG 4.02Å; L163-P171 WeakPolarHBondContact O-CD 3.46Å; L168-P171 HydrophobicContact CB-CG 4.01Å; L168-P171 HydrophobicContact CD1-CG 4.44Å; P171-N173 PolarHBondContact O-N 3.38Å; P171-V174 PolarHBondContact O-N 3.41Å; P171-M175 HydrophobicContact CB-SD 3.92Å; P171-M175 WeakPolarHBondContact O-CG 3.35Å; P171-M175 PolarHBondContact O-N 2.83Å; P171-M175 VanDerWaalsContact O-N 3.13Å |
| 172 | L | 94.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -26.2 | 179.3 | -65.3 | 178.3 | 0 | 0 | 0 | 114 | L163 D164 R170 V174 M175 I176 F201 T206 A208 | L163-L172 HydrophobicContact CB-CD1 3.93Å; L163-L172 HydrophobicContact CB-CD2 3.92Å; L163-L172 HydrophobicContact CB-CG 3.88Å; L163-L172 HydrophobicContact CD1-CD2 4.41Å; L163-L172 WeakPolarHBondContact O-CG 3.4Å; D164-L172 HydrophobicContact CB-CD1 3.97Å; R170-L172 PolarHBondContact O-N 3.07Å; R170-L172 VanDerWaalsContact O-N 3.11Å; L172-V174 PolarHBondContact O-N 3.28Å; L172-V174 VanDerWaalsContact O-N 3.14Å; L172-M175 HydrophobicContact CD2-CE 4.48Å; L172-M175 HydrophobicContact CD2-SD 4.4Å; L172-M175 PolarHBondContact O-N 2.9Å; L172-I176 HydrophobicContact CB-CD1 4.06Å; L172-I176 HydrophobicContact CB-CG1 4.45Å; L172-I176 HydrophobicContact CD2-CD1 4.4Å; L172-I176 HydrophobicContact CD2-CG1 4.41Å; L172-I176 PolarHBondContact O-N 3.09Å; L172-I176 VanDerWaalsContact O-N 3.09Å; L172-F201 HydrophobicContact CD1-CD1 3.68Å; L172-F201 HydrophobicContact CD1-CE1 3.59Å; L172-F201 HydrophobicContact CD1-CG 4.37Å; L172-F201 HydrophobicContact CD1-CZ 4.23Å; L172-F201 HydrophobicContact CD2-CD1 4.3Å; L172-F201 HydrophobicContact CD2-CD2 4.36Å; L172-F201 HydrophobicContact CD2-CE1 3.72Å; L172-F201 HydrophobicContact CD2-CE2 3.79Å; L172-F201 HydrophobicContact CD2-CZ 3.45Å; L172-F201 VanDerWaalsContact CD2-CZ 3.45Å; L172-F201 HydrophobicContact CG-CE1 4.31Å; L172-F201 HydrophobicContact CG-CZ 4.5Å; L172-T206 HydrophobicContact CB-CG2 4.36Å; L172-T206 HydrophobicContact CD1-CG2 3.55Å; L172-A208 HydrophobicContact CB-CB 4.13Å |
| 173 | N | 93.5 | Very high | 90.7 | Very high | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -23.7 | 174.8 | -70.7 | -30.5 | 0 | 0 | 0 | 112.8 | R170 P171 P177 | R170-N173 VanDerWaalsContact CB-ND2 3.31Å; R170-N173 WeakPolarHBondContact CB-ND2 3.26Å; R170-N173 WeakPolarHBondContact O-CB 3.39Å; R170-N173 PolarHBondContact O-N 3.08Å; R170-N173 PolarHBondContact O-ND2 3.21Å; P171-N173 PolarHBondContact O-N 3.38Å; N173-P177 WeakPolarHBondContact O-CG 3.37Å |
| 174 | V | 93.9 | Very high | 91.1 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 61% | 0.606 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -102.5 | -41.1 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 111 | P171 L172 K178 | P171-V174 PolarHBondContact O-N 3.41Å; L172-V174 PolarHBondContact O-N 3.28Å; L172-V174 VanDerWaalsContact O-N 3.14Å; V174-K178 WeakPolarHBondContact O-CB 3.3Å; V174-K178 PolarHBondContact O-N 3.36Å |
| 175 | M | 96.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -48.3 | -174.5 | -67.5 | 169.2 | 60.8 | 0 | 0 | 112.5 | L130 L152 P171 L172 K178 F179 | L130-M175 HydrophobicContact CB-SD 4.5Å; L130-M175 HydrophobicContact CD1-SD 4.19Å; L130-M175 HydrophobicContact CD2-CE 4.35Å; L130-M175 HydrophobicContact CD2-SD 4.43Å; L152-M175 HydrophobicContact CD2-CE 4Å; P171-M175 HydrophobicContact CB-SD 3.92Å; P171-M175 WeakPolarHBondContact O-CG 3.35Å; P171-M175 PolarHBondContact O-N 2.83Å; P171-M175 VanDerWaalsContact O-N 3.13Å; L172-M175 HydrophobicContact CD2-CE 4.48Å; L172-M175 HydrophobicContact CD2-SD 4.4Å; L172-M175 PolarHBondContact O-N 2.9Å; M175-K178 WeakPolarHBondContact O-CA 3.45Å; M175-K178 WeakPolarHBondContact O-CB 3.42Å; M175-K178 PolarHBondContact O-N 3.17Å; M175-K178 VanDerWaalsContact O-N 3.11Å; M175-F179 HydrophobicContact CB-CE1 4.48Å; M175-F179 HydrophobicContact CB-CE2 3.89Å; M175-F179 HydrophobicContact CB-CZ 3.85Å; M175-F179 HydrophobicContact CE-CE2 4.15Å; M175-F179 HydrophobicContact CE-CZ 3.74Å; M175-F179 HydrophobicContact CG-CZ 4.45Å; M175-F179 WeakPolarHBondContact O-CD1 3.43Å; M175-F179 WeakPolarHBondContact O-CD2 3.25Å; M175-F179 VanDerWaalsContact O-CG 3.25Å; M175-F179 WeakPolarHBondContact O-CG 3.4Å; M175-F179 PolarHBondContact O-N 3.01Å |
| 176 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -51.3 | -174.5 | -69.2 | 174.2 | 0 | 0 | 0 | 112 | L172 K178 F179 L180 F201 T206 A208 L209 | L172-I176 HydrophobicContact CB-CD1 4.06Å; L172-I176 HydrophobicContact CB-CG1 4.45Å; L172-I176 HydrophobicContact CD2-CD1 4.4Å; L172-I176 HydrophobicContact CD2-CG1 4.41Å; L172-I176 PolarHBondContact O-N 3.09Å; L172-I176 VanDerWaalsContact O-N 3.09Å; I176-K178 PolarHBondContact O-N 3.47Å; I176-K178 VanDerWaalsContact O-N 3.13Å; I176-F179 PolarHBondContact O-N 3.05Å; I176-F179 VanDerWaalsContact O-N 3.14Å; I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 2.86Å; I176-L180 VanDerWaalsContact O-N 3.13Å; I176-F201 HydrophobicContact CD1-CB 4.33Å; I176-F201 HydrophobicContact CD1-CD2 4.2Å; I176-F201 HydrophobicContact CD1-CG 4.33Å; I176-F201 HydrophobicContact CG1-CD2 4.46Å; I176-T206 HydrophobicContact CD1-CG2 4.19Å; I176-A208 HydrophobicContact CD1-CB 3.88Å; I176-L209 HydrophobicContact CD1-CB 4.05Å; I176-L209 HydrophobicContact CG2-CB 4.48Å; I176-L209 HydrophobicContact CG2-CD1 4.03Å |
| 177 | P | 96.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -29.9 | 175.9 | -25 | 34.7 | 0 | 0 | 0 | 113.1 | N173 | N173-P177 WeakPolarHBondContact O-CG 3.37Å |
| 178 | K | 96.5 | Very high | 94 | Very high | 32 Ų | 32 | 56 Ų | 56 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.6 | -46 | 176.9 | -171.2 | 147.6 | -171.5 | 170.9 | 0 | 111.7 | C134 D138 V174 M175 I176 L180 Q181 F182 | C134-K178 VanDerWaalsContact O-CE 3.27Å; C134-K178 WeakPolarHBondContact O-CE 3.18Å; C134-K178 PolarHBondContact O-NZ 3.41Å; D138-K178 WeakPolarHBondContact OD1-CE 3.47Å; D138-K178 IonicContact OD1-NZ 2.89Å; D138-K178 PolarHBondContact OD1-NZ 3.08Å; D138-K178 IonicContact OD2-NZ 3.69Å; D138-K178 PolarHBondContact OD2-NZ 3.44Å; V174-K178 WeakPolarHBondContact O-CB 3.3Å; V174-K178 PolarHBondContact O-N 3.36Å; M175-K178 WeakPolarHBondContact O-CA 3.45Å; M175-K178 WeakPolarHBondContact O-CB 3.42Å; M175-K178 PolarHBondContact O-N 3.17Å; M175-K178 VanDerWaalsContact O-N 3.11Å; I176-K178 PolarHBondContact O-N 3.47Å; I176-K178 VanDerWaalsContact O-N 3.13Å; K178-L180 VanDerWaalsContact C-N 3.3Å; K178-L180 PolarHBondContact O-N 3.37Å; K178-Q181 WeakPolarHBondContact O-CB 3.39Å; K178-Q181 PolarHBondContact O-N 2.99Å; K178-Q181 VanDerWaalsContact O-N 3.1Å; K178-F182 HydrophobicContact CG-CE2 4.08Å; K178-F182 VanDerWaalsContact O-CD2 3.28Å; K178-F182 WeakPolarHBondContact O-CD2 3.37Å |
| 179 | F | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 176.3 | -59.5 | -25.9 | 0 | 0 | 0 | 112.1 | L137 F149 L152 M175 I176 Q181 F182 F183 C197 V198 | L137-F179 HydrophobicContact CD1-CD1 4.26Å; L137-F179 HydrophobicContact CD1-CE1 4.04Å; F149-F179 AromaticContact CE1-CD1 3.74Å; F149-F179 HydrophobicContact CE1-CD1 3.74Å; F149-F179 HydrophobicContact CE1-CE1 4.12Å; F149-F179 HydrophobicContact CE1-CG 4.47Å; F149-F179 HydrophobicContact CZ-CD1 4.1Å; L152-F179 HydrophobicContact CD1-CE1 4.04Å; L152-F179 HydrophobicContact CD1-CZ 4.4Å; M175-F179 HydrophobicContact CB-CE1 4.48Å; M175-F179 HydrophobicContact CB-CE2 3.89Å; M175-F179 HydrophobicContact CB-CZ 3.85Å; M175-F179 HydrophobicContact CE-CE2 4.15Å; M175-F179 HydrophobicContact CE-CZ 3.74Å; M175-F179 HydrophobicContact CG-CZ 4.45Å; M175-F179 WeakPolarHBondContact O-CD1 3.43Å; M175-F179 WeakPolarHBondContact O-CD2 3.25Å; M175-F179 VanDerWaalsContact O-CG 3.25Å; M175-F179 WeakPolarHBondContact O-CG 3.4Å; M175-F179 PolarHBondContact O-N 3.01Å; I176-F179 PolarHBondContact O-N 3.05Å; I176-F179 VanDerWaalsContact O-N 3.14Å; F179-Q181 PolarHBondContact O-N 3.35Å; F179-Q181 VanDerWaalsContact O-N 3.09Å; F179-F182 PolarHBondContact O-N 3.05Å; F179-F183 WeakPolarHBondContact O-CD1 3.45Å; F179-C197 HydrophobicContact CD2-CB 3.7Å; F179-C197 HydrophobicContact CE2-CB 3.7Å; F179-C197 HydrophobicContact CG-CB 4.28Å; F179-C197 HydrophobicContact CZ-CB 4.28Å; F179-V198 HydrophobicContact CB-CG2 3.82Å; F179-V198 HydrophobicContact CD2-CG2 4.19Å |
| 180 | L | 96.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -27.9 | 178.1 | -65.8 | 178.5 | 0 | 0 | 0 | 113.6 | I176 K178 F182 F183 V198 H212 F216 | I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 2.86Å; I176-L180 VanDerWaalsContact O-N 3.13Å; K178-L180 VanDerWaalsContact C-N 3.3Å; K178-L180 PolarHBondContact O-N 3.37Å; L180-F182 VanDerWaalsContact C-N 3.3Å; L180-F182 PolarHBondContact O-N 3.35Å; L180-F183 HydrophobicContact CD2-CE1 4.01Å; L180-F183 HydrophobicContact CD2-CE2 4.38Å; L180-F183 HydrophobicContact CD2-CZ 3.92Å; L180-F183 PolarHBondContact O-N 2.95Å; L180-V198 HydrophobicContact CD2-CG2 4.34Å; L180-H212 HydrophobicContact CD1-CB 3.97Å; L180-F216 HydrophobicContact CD2-CB 3.97Å; L180-F216 HydrophobicContact CD2-CD2 3.63Å; L180-F216 HydrophobicContact CD2-CG 4.21Å |
| 181 | Q | 96.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.7 | -30.6 | 176.4 | -62.7 | 170.3 | 19.5 | 0 | 0 | 112.1 | K178 F179 F183 | K178-Q181 WeakPolarHBondContact O-CB 3.39Å; K178-Q181 PolarHBondContact O-N 2.99Å; K178-Q181 VanDerWaalsContact O-N 3.1Å; F179-Q181 PolarHBondContact O-N 3.35Å; F179-Q181 VanDerWaalsContact O-N 3.09Å; Q181-F183 VanDerWaalsContact C-N 3.3Å; Q181-F183 PolarHBondContact O-N 3.37Å |
| 182 | F | 97.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 10% | 0.101 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -82.2 | -4.4 | -178.2 | -70.8 | -86 | 0 | 0 | 0 | 113.8 | L137 F149 K178 F179 L180 K184 H185 I190 A194 | L137-F182 HydrophobicContact CB-CE2 4.06Å; L137-F182 HydrophobicContact CB-CZ 3.81Å; L137-F182 HydrophobicContact CD1-CE2 4.27Å; L137-F182 WeakPolarHBondContact O-CZ 3.47Å; F149-F182 HydrophobicContact CE2-CB 3.94Å; F149-F182 AromaticContact CE2-CD1 3.83Å; F149-F182 HydrophobicContact CE2-CD1 3.83Å; F149-F182 AromaticContact CE2-CD2 3.92Å; F149-F182 HydrophobicContact CE2-CD2 3.92Å; F149-F182 HydrophobicContact CE2-CE1 4.31Å; F149-F182 HydrophobicContact CE2-CE2 4.42Å; F149-F182 AromaticContact CE2-CG 3.62Å; F149-F182 HydrophobicContact CE2-CG 3.62Å; F149-F182 HydrophobicContact CZ-CB 3.8Å; F149-F182 HydrophobicContact CZ-CD1 4.43Å; F149-F182 AromaticContact CZ-CD2 3.8Å; F149-F182 HydrophobicContact CZ-CD2 3.8Å; F149-F182 AromaticContact CZ-CG 3.76Å; F149-F182 HydrophobicContact CZ-CG 3.76Å; K178-F182 HydrophobicContact CG-CE2 4.08Å; K178-F182 VanDerWaalsContact O-CD2 3.28Å; K178-F182 WeakPolarHBondContact O-CD2 3.37Å; F179-F182 PolarHBondContact O-N 3.05Å; L180-F182 VanDerWaalsContact C-N 3.3Å; L180-F182 PolarHBondContact O-N 3.35Å; F182-K184 PolarHBondContact O-N 3.44Å; F182-H185 HydrophobicContact CD1-CB 4.46Å; F182-H185 WeakPolarHBondContact O-CB 3.23Å; F182-H185 PolarHBondContact O-N 2.93Å; F182-I190 HydrophobicContact CB-CG2 4.03Å; F182-I190 HydrophobicContact CD1-CG2 3.81Å; F182-I190 HydrophobicContact CG-CG2 4.3Å; F182-A194 HydrophobicContact CB-CB 3.9Å |
| 183 | F | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -62.6 | -26.9 | 172.1 | -78.8 | 46.6 | 0 | 0 | 0 | 111 | F179 L180 Q181 R191 A194 I195 V198 F216 N219 L220 L223 | F179-F183 WeakPolarHBondContact O-CD1 3.45Å; L180-F183 HydrophobicContact CD2-CE1 4.01Å; L180-F183 HydrophobicContact CD2-CE2 4.38Å; L180-F183 HydrophobicContact CD2-CZ 3.92Å; L180-F183 PolarHBondContact O-N 2.95Å; Q181-F183 VanDerWaalsContact C-N 3.3Å; Q181-F183 PolarHBondContact O-N 3.37Å; F183-R191 WeakPolarHBondContact O-CD 3.39Å; F183-R191 WeakPolarHBondContact O-CG 3.44Å; F183-A194 HydrophobicContact CD1-CB 3.73Å; F183-A194 HydrophobicContact CE1-CB 3.8Å; F183-I195 HydrophobicContact CD2-CG1 3.97Å; F183-I195 HydrophobicContact CE1-CG1 4.15Å; F183-I195 HydrophobicContact CE2-CB 4.4Å; F183-I195 HydrophobicContact CE2-CG1 3.59Å; F183-I195 HydrophobicContact CG-CG1 4.44Å; F183-I195 HydrophobicContact CZ-CB 4.13Å; F183-I195 HydrophobicContact CZ-CG1 3.69Å; F183-I195 HydrophobicContact CZ-CG2 4.49Å; F183-V198 HydrophobicContact CE1-CG2 4.14Å; F183-V198 HydrophobicContact CZ-CB 4.39Å; F183-V198 HydrophobicContact CZ-CG2 4.17Å; F183-F216 AromaticContact CE2-CD2 3.85Å; F183-F216 HydrophobicContact CE2-CD2 3.85Å; F183-F216 AromaticContact CE2-CE2 3.74Å; F183-F216 HydrophobicContact CE2-CE2 3.74Å; F183-F216 AromaticContact CZ-CD2 3.92Å; F183-F216 HydrophobicContact CZ-CD2 3.92Å; F183-F216 AromaticContact CZ-CE2 3.71Å; F183-F216 HydrophobicContact CZ-CE2 3.71Å; F183-N219 HydrophobicContact CB-CB 4.05Å; F183-N219 HydrophobicContact CD2-CB 3.59Å; F183-N219 HydrophobicContact CE2-CB 4.36Å; F183-N219 HydrophobicContact CG-CB 4.11Å; F183-L220 HydrophobicContact CE2-CD2 4.09Å; F183-L223 HydrophobicContact CB-CD1 3.98Å; F183-L223 HydrophobicContact CD2-CD1 3.85Å; F183-L223 HydrophobicContact CG-CD1 4.2Å; F183-L223 WeakPolarHBondContact O-CD2 3.26Å |
| 184 | K | 95 | Very high | 96.3 | Very high | 158 Ų | 158 | 44.4 Ų | 44.4 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -94.6 | 11.6 | 177.4 | -59.6 | -178.3 | -173.9 | 176.1 | 0 | 113.2 | F182 N219 | F182-K184 PolarHBondContact O-N 3.44Å; K184-N219 WeakPolarHBondContact CE-OD1 3.34Å |
| 185 | H | 96.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | trans | -69.3 | 147.5 | -177.4 | -168.9 | -93.4 | 0 | 0 | 0 | 111.5 | F182 S187 I190 R191 | F182-H185 HydrophobicContact CD1-CB 4.46Å; F182-H185 WeakPolarHBondContact O-CB 3.23Å; F182-H185 PolarHBondContact O-N 2.93Å; H185-S187 VanDerWaalsContact C-N 3.32Å; H185-S187 PolarHBondContact ND1-N 3.28Å; H185-S187 PolarHBondContact O-N 3.39Å; H185-I190 HydrophobicContact CB-CB 4.38Å; H185-I190 HydrophobicContact CB-CG2 3.82Å; H185-I190 WeakPolarHBondContact CE1-CD1 3.49Å; H185-R191 HydrophobicContact CB-CG 4.39Å; H185-R191 WeakPolarHBondContact O-CD 3.43Å; H185-R191 WeakPolarHBondContact O-CG 3.48Å; H185-R191 PolarHBondContact O-NH1 3.4Å | ||
| 186 | N | 94.4 | Very high | 96.5 | Very high | 156 Ų | 156 | 39.7 Ų | 39.7 | 83% | 0.834 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -67.3 | -31.5 | -176.6 | -66.4 | -36 | 0 | 0 | 0 | 113 | R191 | N186-R191 PolarHBondContact O-NH1 3.43Å; N186-R191 VanDerWaalsContact O-NH1 3.08Å |
| 187 | S | 95.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -82 | 124.7 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Y142 H185 K189 I190 R191 | Y142-S187 WeakPolarHBondContact CE2-OG 3.09Å; Y142-S187 PolarHBondContact OH-OG 3.44Å; H185-S187 VanDerWaalsContact C-N 3.32Å; H185-S187 PolarHBondContact ND1-N 3.28Å; H185-S187 PolarHBondContact O-N 3.39Å; S187-K189 VanDerWaalsContact C-N 3.26Å; S187-K189 PolarHBondContact O-N 2.97Å; S187-K189 PolarHBondContact OG-N 3.19Å; S187-I190 PolarHBondContact O-N 3Å; S187-R191 PolarHBondContact O-N 2.96Å |
| 188 | P | 96 | Very high | 96.6 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -33.9 | 176.7 | 24.3 | -32.5 | 0 | 0 | 0 | 112.7 | I190 R191 S192 E228 V231 | P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.38Å; P188-R191 WeakPolarHBondContact O-CB 3.05Å; P188-R191 PolarHBondContact O-N 2.84Å; P188-S192 PolarHBondContact O-N 3.26Å; P188-E228 HydrophobicContact CB-CB 3.71Å; P188-E228 HydrophobicContact CB-CG 3.74Å; P188-E228 HydrophobicContact CG-CG 4.45Å; P188-V231 HydrophobicContact CB-CG2 4.22Å; P188-V231 WeakPolarHBondContact O-CG2 3.08Å |
| 189 | K | 94.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.8 | -164.8 | 173.4 | -171.6 | -172.5 | 0 | 112.3 | E146 S187 S192 H193 | E146-K189 HydrophobicContact CG-CD 4.07Å; E146-K189 WeakPolarHBondContact OE1-CE 3.49Å; E146-K189 IonicContact OE1-NZ 2.7Å; E146-K189 PolarHBondContact OE1-NZ 2.71Å; S187-K189 VanDerWaalsContact C-N 3.26Å; S187-K189 PolarHBondContact O-N 2.97Å; S187-K189 PolarHBondContact OG-N 3.19Å; K189-S192 PolarHBondContact O-N 2.71Å; K189-H193 PolarHBondContact O-CD2 3.48Å; K189-H193 PolarHBondContact O-N 2.74Å |
| 190 | I | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | 176.4 | -71 | 171 | 0 | 0 | 0 | 110.9 | Y142 C145 F149 F182 H185 S187 P188 S192 H193 A194 | Y142-I190 HydrophobicContact CD2-CD1 3.93Å; Y142-I190 HydrophobicContact CE2-CD1 3.66Å; Y142-I190 HydrophobicContact CE2-CG1 4.28Å; C145-I190 HydrophobicContact CB-CD1 4.42Å; F149-I190 HydrophobicContact CD2-CG2 3.97Å; F149-I190 HydrophobicContact CE2-CG2 3.76Å; F182-I190 HydrophobicContact CB-CG2 4.03Å; F182-I190 HydrophobicContact CD1-CG2 3.81Å; F182-I190 HydrophobicContact CG-CG2 4.3Å; H185-I190 HydrophobicContact CB-CB 4.38Å; H185-I190 HydrophobicContact CB-CG2 3.82Å; H185-I190 WeakPolarHBondContact CE1-CD1 3.49Å; S187-I190 PolarHBondContact O-N 3Å; P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.38Å; I190-S192 VanDerWaalsContact C-N 3.35Å; I190-H193 PolarHBondContact O-N 3.49Å; I190-A194 WeakPolarHBondContact O-CB 3.32Å; I190-A194 PolarHBondContact O-N 3.27Å |
| 191 | R | 97.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.2 | -63.7 | -164.1 | -65.3 | -82.4 | 4.9 | 111.1 | F183 H185 N186 S187 P188 A194 I195 D226 V231 | F183-R191 WeakPolarHBondContact O-CD 3.39Å; F183-R191 WeakPolarHBondContact O-CG 3.44Å; H185-R191 HydrophobicContact CB-CG 4.39Å; H185-R191 WeakPolarHBondContact O-CD 3.43Å; H185-R191 WeakPolarHBondContact O-CG 3.48Å; H185-R191 PolarHBondContact O-NH1 3.4Å; N186-R191 PolarHBondContact O-NH1 3.43Å; N186-R191 VanDerWaalsContact O-NH1 3.08Å; S187-R191 PolarHBondContact O-N 2.96Å; P188-R191 WeakPolarHBondContact O-CB 3.05Å; P188-R191 PolarHBondContact O-N 2.84Å; R191-A194 PolarHBondContact O-N 3.17Å; R191-I195 WeakPolarHBondContact O-CD1 3.33Å; R191-I195 VanDerWaalsContact O-CG1 3.3Å; R191-I195 WeakPolarHBondContact O-CG1 3.28Å; R191-I195 PolarHBondContact O-N 2.86Å; R191-D226 IonicContact CZ-OD2 3.67Å; R191-D226 IonicContact NE-OD2 3.5Å; R191-D226 PolarHBondContact NE-OD2 3.49Å; R191-D226 VanDerWaalsContact NH2-CG 3.31Å; R191-D226 IonicContact NH2-OD1 3.83Å; R191-D226 PolarHBondContact NH2-OD1 2.72Å; R191-D226 VanDerWaalsContact NH2-OD1 3.12Å; R191-D226 IonicContact NH2-OD2 3.54Å; R191-D226 PolarHBondContact NH2-OD2 2.95Å; R191-V231 HydrophobicContact CB-CG2 4.04Å |
| 192 | S | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -52 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | P188 K189 I190 A194 I195 A196 N234 | P188-S192 PolarHBondContact O-N 3.26Å; K189-S192 PolarHBondContact O-N 2.71Å; I190-S192 VanDerWaalsContact C-N 3.35Å; S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.04Å; S192-I195 PolarHBondContact O-N 3.27Å; S192-A196 WeakPolarHBondContact O-CB 2.73Å; S192-A196 PolarHBondContact O-N 2.89Å; S192-N234 PolarHBondContact OG-ND2 2.69Å |
| 193 | H | 96.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -42.7 | 175.8 | -73.3 | -52.5 | 0 | 0 | 0 | 112.8 | F149 Q153 K189 I190 I195 A196 C197 | F149-H193 HydrophobicContact CB-CB 3.75Å; F149-H193 HydrophobicContact CD1-CB 3.65Å; F149-H193 HydrophobicContact CE1-CB 4.44Å; F149-H193 HydrophobicContact CG-CB 3.76Å; Q153-H193 PolarHBondContact OE1-CE1 3.04Å; Q153-H193 PolarHBondContact OE1-ND1 3.01Å; K189-H193 PolarHBondContact O-CD2 3.48Å; K189-H193 PolarHBondContact O-N 2.74Å; I190-H193 PolarHBondContact O-N 3.49Å; H193-I195 PolarHBondContact O-N 2.84Å; H193-A196 PolarHBondContact O-N 2.9Å; H193-C197 WeakPolarHBondContact O-CB 3.44Å; H193-C197 PolarHBondContact O-N 3.25Å; H193-C197 PolarHBondContact O-SG 3.45Å |
| 194 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F149 F182 F183 I190 R191 S192 V198 | F149-A194 HydrophobicContact CE1-CB 4.08Å; F149-A194 HydrophobicContact CZ-CB 3.99Å; F182-A194 HydrophobicContact CB-CB 3.9Å; F183-A194 HydrophobicContact CD1-CB 3.73Å; F183-A194 HydrophobicContact CE1-CB 3.8Å; I190-A194 WeakPolarHBondContact O-CB 3.32Å; I190-A194 PolarHBondContact O-N 3.27Å; R191-A194 PolarHBondContact O-N 3.17Å; S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.04Å; A194-V198 WeakPolarHBondContact O-CG2 3.29Å; A194-V198 PolarHBondContact O-N 3.12Å |
| 195 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -47.9 | 176.6 | -56 | 155.7 | 0 | 0 | 0 | 110.1 | F183 R191 S192 H193 C197 V198 N199 L220 L223 V231 N234 V235 A238 | F183-I195 HydrophobicContact CD2-CG1 3.97Å; F183-I195 HydrophobicContact CE1-CG1 4.15Å; F183-I195 HydrophobicContact CE2-CB 4.4Å; F183-I195 HydrophobicContact CE2-CG1 3.59Å; F183-I195 HydrophobicContact CG-CG1 4.44Å; F183-I195 HydrophobicContact CZ-CB 4.13Å; F183-I195 HydrophobicContact CZ-CG1 3.69Å; F183-I195 HydrophobicContact CZ-CG2 4.49Å; R191-I195 WeakPolarHBondContact O-CD1 3.33Å; R191-I195 VanDerWaalsContact O-CG1 3.3Å; R191-I195 WeakPolarHBondContact O-CG1 3.28Å; R191-I195 PolarHBondContact O-N 2.86Å; S192-I195 PolarHBondContact O-N 3.27Å; H193-I195 PolarHBondContact O-N 2.84Å; I195-C197 VanDerWaalsContact C-N 3.29Å; I195-C197 PolarHBondContact O-N 3.49Å; I195-V198 PolarHBondContact O-N 3.33Å; I195-N199 VanDerWaalsContact O-CG 3.32Å; I195-N199 PolarHBondContact O-N 3.48Å; I195-N199 PolarHBondContact O-OD1 3.08Å; I195-L220 HydrophobicContact CG2-CD2 4.22Å; I195-L223 HydrophobicContact CD1-CD1 3.83Å; I195-L223 HydrophobicContact CG1-CD1 4.34Å; I195-V231 HydrophobicContact CD1-CG1 3.86Å; I195-N234 HydrophobicContact CB-CB 3.94Å; I195-N234 HydrophobicContact CD1-CB 4.36Å; I195-N234 HydrophobicContact CG2-CB 3.68Å; I195-V235 HydrophobicContact CD1-CG2 3.96Å; I195-A238 HydrophobicContact CG2-CB 4.41Å |
| 196 | A | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -39.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q153 S192 H193 Q200 | Q153-A196 HydrophobicContact CG-CB 4.22Å; S192-A196 WeakPolarHBondContact O-CB 2.73Å; S192-A196 PolarHBondContact O-N 2.89Å; H193-A196 PolarHBondContact O-N 2.9Å; A196-Q200 PolarHBondContact O-NE2 3.45Å |
| 197 | C | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.5 | -73 | 0 | 0 | 0 | 0 | 112.2 | Q153 F179 H193 I195 F201 | Q153-C197 WeakPolarHBondContact CA-SG 3.21Å; F179-C197 HydrophobicContact CD2-CB 3.7Å; F179-C197 HydrophobicContact CE2-CB 3.7Å; F179-C197 HydrophobicContact CG-CB 4.28Å; F179-C197 HydrophobicContact CZ-CB 4.28Å; H193-C197 WeakPolarHBondContact O-CB 3.44Å; H193-C197 PolarHBondContact O-N 3.25Å; H193-C197 PolarHBondContact O-SG 3.45Å; I195-C197 VanDerWaalsContact C-N 3.29Å; I195-C197 PolarHBondContact O-N 3.49Å; C197-F201 WeakPolarHBondContact O-CD2 3.41Å; C197-F201 WeakPolarHBondContact O-CE2 3.36Å |
| 198 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -35.6 | -178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F179 L180 F183 A194 I195 Q200 F201 L209 F216 | F179-V198 HydrophobicContact CB-CG2 3.82Å; F179-V198 HydrophobicContact CD2-CG2 4.19Å; L180-V198 HydrophobicContact CD2-CG2 4.34Å; F183-V198 HydrophobicContact CE1-CG2 4.14Å; F183-V198 HydrophobicContact CZ-CB 4.39Å; F183-V198 HydrophobicContact CZ-CG2 4.17Å; A194-V198 WeakPolarHBondContact O-CG2 3.29Å; A194-V198 PolarHBondContact O-N 3.12Å; I195-V198 PolarHBondContact O-N 3.33Å; V198-Q200 PolarHBondContact O-N 2.87Å; V198-F201 PolarHBondContact O-N 2.99Å; V198-L209 HydrophobicContact CG1-CD1 3.66Å; V198-L209 HydrophobicContact CG1-CD2 4.06Å; V198-F216 HydrophobicContact CB-CE2 4.2Å; V198-F216 HydrophobicContact CG1-CD2 3.88Å; V198-F216 HydrophobicContact CG1-CE1 4.24Å; V198-F216 HydrophobicContact CG1-CE2 3.53Å; V198-F216 HydrophobicContact CG1-CG 4.37Å; V198-F216 HydrophobicContact CG1-CZ 3.71Å |
| 199 | N | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -32.7 | -179.6 | -73.6 | 1.2 | 0 | 0 | 0 | 113.1 | I195 F201 I202 N234 A238 M241 | I195-N199 VanDerWaalsContact O-CG 3.32Å; I195-N199 PolarHBondContact O-N 3.48Å; I195-N199 PolarHBondContact O-OD1 3.08Å; N199-F201 PolarHBondContact O-N 3Å; N199-I202 HydrophobicContact CB-CD1 4.3Å; N199-I202 PolarHBondContact O-N 3.19Å; N199-N234 PolarHBondContact ND2-O 3.45Å; N199-N234 VanDerWaalsContact ND2-O 3.07Å; N199-A238 VanDerWaalsContact OD1-CB 3.22Å; N199-A238 WeakPolarHBondContact OD1-CB 3.22Å; N199-M241 HydrophobicContact CB-SD 4.12Å |
| 200 | Q | 96.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 21% | 0.21 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.2 | 178.3 | -54.2 | -51.3 | -48.6 | 0 | 0 | 113.8 | C156 E157 A196 V198 | C156-Q200 HydrophobicContact CB-CB 4.23Å; C156-Q200 HydrophobicContact CB-CG 3.82Å; E157-Q200 HydrophobicContact CG-CG 4.39Å; A196-Q200 PolarHBondContact O-NE2 3.45Å; V198-Q200 PolarHBondContact O-N 2.87Å |
| 201 | F | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 9.1 | -172.4 | -52.4 | -69.5 | 0 | 0 | 0 | 113.6 | C156 A160 L163 L172 I176 C197 V198 N199 S204 T206 L209 | C156-F201 HydrophobicContact CB-CE2 3.98Å; C156-F201 HydrophobicContact CB-CZ 3.81Å; A160-F201 HydrophobicContact CB-CE1 4.07Å; L163-F201 HydrophobicContact CB-CE1 4.29Å; L163-F201 HydrophobicContact CD1-CE1 4.2Å; L163-F201 HydrophobicContact CD1-CZ 3.79Å; L172-F201 HydrophobicContact CD1-CD1 3.68Å; L172-F201 HydrophobicContact CD1-CE1 3.59Å; L172-F201 HydrophobicContact CD1-CG 4.37Å; L172-F201 HydrophobicContact CD1-CZ 4.23Å; L172-F201 HydrophobicContact CD2-CD1 4.3Å; L172-F201 HydrophobicContact CD2-CD2 4.36Å; L172-F201 HydrophobicContact CD2-CE1 3.72Å; L172-F201 HydrophobicContact CD2-CE2 3.79Å; L172-F201 HydrophobicContact CD2-CZ 3.45Å; L172-F201 VanDerWaalsContact CD2-CZ 3.45Å; L172-F201 HydrophobicContact CG-CE1 4.31Å; L172-F201 HydrophobicContact CG-CZ 4.5Å; I176-F201 HydrophobicContact CD1-CB 4.33Å; I176-F201 HydrophobicContact CD1-CD2 4.2Å; I176-F201 HydrophobicContact CD1-CG 4.33Å; I176-F201 HydrophobicContact CG1-CD2 4.46Å; C197-F201 WeakPolarHBondContact O-CD2 3.41Å; C197-F201 WeakPolarHBondContact O-CE2 3.36Å; V198-F201 PolarHBondContact O-N 2.99Å; N199-F201 PolarHBondContact O-N 3Å; F201-S204 WeakPolarHBondContact CA-OG 3.36Å; F201-S204 PolarHBondContact O-OG 2.77Å; F201-T206 HydrophobicContact CB-CG2 4.44Å; F201-T206 PolarHBondContact O-N 3.42Å; F201-L209 HydrophobicContact CB-CD2 4.4Å |
| 202 | I | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -57.7 | -179.7 | -60.9 | 172.2 | 0 | 0 | 0 | 110.2 | N199 S204 R205 L209 F216 A238 M241 L242 V245 | N199-I202 HydrophobicContact CB-CD1 4.3Å; N199-I202 PolarHBondContact O-N 3.19Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 2.91Å; I202-R205 PolarHBondContact O-N 3.38Å; I202-L209 HydrophobicContact CB-CD2 4.43Å; I202-L209 HydrophobicContact CG1-CD2 3.76Å; I202-F216 HydrophobicContact CD1-CE1 3.84Å; I202-F216 HydrophobicContact CD1-CZ 3.9Å; I202-F216 HydrophobicContact CG1-CE1 4.18Å; I202-F216 HydrophobicContact CG1-CZ 4.49Å; I202-A238 HydrophobicContact CD1-CB 4.24Å; I202-M241 HydrophobicContact CB-CB 3.91Å; I202-M241 HydrophobicContact CB-SD 4.36Å; I202-M241 HydrophobicContact CD1-CB 3.96Å; I202-M241 HydrophobicContact CD1-SD 4.06Å; I202-M241 HydrophobicContact CG2-CB 3.56Å; I202-L242 HydrophobicContact CG2-CD2 4.04Å; I202-L242 HydrophobicContact CG2-CG 4.23Å; I202-V245 HydrophobicContact CG2-CG2 3.52Å |
| 203 | I | 94 | Very high | 95.6 | Very high | 80 Ų | 80 | 33.2 Ų | 33.2 | 41% | 0.41 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -39.1 | -175.7 | -58.8 | -54 | 0 | 0 | 0 | 112 | R205 M241 E244 V245 | I203-R205 PolarHBondContact O-N 2.86Å; I203-M241 HydrophobicContact CD1-CB 3.77Å; I203-M241 HydrophobicContact CD1-CG 3.98Å; I203-M241 HydrophobicContact CG1-CB 4.33Å; I203-M241 HydrophobicContact CG1-CG 4.16Å; I203-E244 HydrophobicContact CD1-CB 4.47Å; I203-E244 VanDerWaalsContact CD1-OE2 3.23Å; I203-E244 WeakPolarHBondContact CD1-OE2 3.41Å; I203-V245 HydrophobicContact CD1-CG1 4.17Å |
| 204 | S | 91.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 46% | 0.462 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -10.5 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 114 | F201 I202 T206 | F201-S204 WeakPolarHBondContact CA-OG 3.36Å; F201-S204 PolarHBondContact O-OG 2.77Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 2.91Å; S204-T206 PolarHBondContact O-N 2.92Å; S204-T206 PolarHBondContact OG-OG1 2.86Å |
| 205 | R | 93.9 | Very high | 95.4 | Very high | 147 Ų | 147 | 38 Ų | 38 | 56% | 0.555 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.2 | -175.3 | -53.3 | -177.7 | -175.9 | -151.4 | -2.7 | 112.9 | I202 I203 Q207 M210 V245 | I202-R205 PolarHBondContact O-N 3.38Å; I203-R205 PolarHBondContact O-N 2.86Å; R205-Q207 PolarHBondContact O-N 3.25Å; R205-M210 HydrophobicContact CB-CE 4.31Å; R205-M210 HydrophobicContact CB-CG 4.42Å; R205-M210 WeakPolarHBondContact O-CG 3.43Å; R205-V245 HydrophobicContact CG-CB 4.16Å; R205-V245 HydrophobicContact CG-CG1 4.06Å |
| 206 | T | 92.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -51.4 | 128.5 | -177.3 | -68.5 | 0 | 0 | 0 | 0 | 110.8 | D164 L172 I176 F201 S204 A208 L209 M210 | D164-T206 WeakPolarHBondContact OD1-CG2 3.23Å; D164-T206 WeakPolarHBondContact OD2-CA 3.47Å; D164-T206 WeakPolarHBondContact OD2-CB 3.49Å; D164-T206 PolarHBondContact OD2-OG1 2.92Å; L172-T206 HydrophobicContact CB-CG2 4.36Å; L172-T206 HydrophobicContact CD1-CG2 3.55Å; I176-T206 HydrophobicContact CD1-CG2 4.19Å; F201-T206 HydrophobicContact CB-CG2 4.44Å; F201-T206 PolarHBondContact O-N 3.42Å; S204-T206 PolarHBondContact O-N 2.92Å; S204-T206 PolarHBondContact OG-OG1 2.86Å; T206-A208 VanDerWaalsContact C-N 3.25Å; T206-A208 HydrophobicContact CG2-CB 4.23Å; T206-A208 PolarHBondContact O-N 3.22Å; T206-A208 VanDerWaalsContact O-N 3.16Å; T206-L209 PolarHBondContact O-N 3.44Å; T206-M210 WeakPolarHBondContact O-CG 3.14Å; T206-M210 PolarHBondContact O-N 3.18Å | ||
| 207 | Q | 92.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 38.3 Ų | 38.3 | 51% | 0.505 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.6 | -39 | -171.4 | -175.6 | 62.4 | 24.4 | 0 | 0 | 112.8 | R205 L209 M210 L211 | R205-Q207 PolarHBondContact O-N 3.25Å; Q207-L209 PolarHBondContact O-N 3.44Å; Q207-M210 PolarHBondContact O-N 3.07Å; Q207-L211 HydrophobicContact CG-CD1 4.35Å; Q207-L211 WeakPolarHBondContact O-CG 3.27Å; Q207-L211 PolarHBondContact O-N 3.1Å |
| 208 | A | 94 | Very high | 95.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L172 I176 T206 H212 | L172-A208 HydrophobicContact CB-CB 4.13Å; I176-A208 HydrophobicContact CD1-CB 3.88Å; T206-A208 VanDerWaalsContact C-N 3.25Å; T206-A208 HydrophobicContact CG2-CB 4.23Å; T206-A208 PolarHBondContact O-N 3.22Å; T206-A208 VanDerWaalsContact O-N 3.16Å; A208-H212 PolarHBondContact O-CD2 3.19Å |
| 209 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.3 | -42.8 | 174.7 | -175.3 | 54.4 | 0 | 0 | 0 | 111.6 | I176 V198 F201 I202 T206 Q207 L211 H212 I213 F216 | I176-L209 HydrophobicContact CD1-CB 4.05Å; I176-L209 HydrophobicContact CG2-CB 4.48Å; I176-L209 HydrophobicContact CG2-CD1 4.03Å; V198-L209 HydrophobicContact CG1-CD1 3.66Å; V198-L209 HydrophobicContact CG1-CD2 4.06Å; F201-L209 HydrophobicContact CB-CD2 4.4Å; I202-L209 HydrophobicContact CB-CD2 4.43Å; I202-L209 HydrophobicContact CG1-CD2 3.76Å; T206-L209 PolarHBondContact O-N 3.44Å; Q207-L209 PolarHBondContact O-N 3.44Å; L209-L211 PolarHBondContact O-N 3.08Å; L209-H212 CarbonylContact O-C 3.48Å; L209-H212 WeakPolarHBondContact O-CA 3.48Å; L209-H212 PolarHBondContact O-N 3.49Å; L209-I213 PolarHBondContact O-N 2.94Å; L209-F216 HydrophobicContact CD1-CB 4.27Å; L209-F216 HydrophobicContact CD1-CD1 4.1Å; L209-F216 HydrophobicContact CD1-CG 4.16Å |
| 210 | M | 95.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -31 | -176.6 | -67.2 | -58 | 134 | 0 | 0 | 113.1 | R205 T206 Q207 H212 I213 R246 | R205-M210 HydrophobicContact CB-CE 4.31Å; R205-M210 HydrophobicContact CB-CG 4.42Å; R205-M210 WeakPolarHBondContact O-CG 3.43Å; T206-M210 WeakPolarHBondContact O-CG 3.14Å; T206-M210 PolarHBondContact O-N 3.18Å; Q207-M210 PolarHBondContact O-N 3.07Å; M210-H212 VanDerWaalsContact C-N 3.31Å; M210-I213 HydrophobicContact CE-CD1 4.33Å; M210-I213 HydrophobicContact SD-CD1 4.41Å; M210-R246 HydrophobicContact CE-CG 4.35Å; M210-R246 HydrophobicContact SD-CG 3.98Å |
| 211 | L | 95.3 | Very high | 95 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 62% | 0.618 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.5 | -22.3 | 172 | -68.5 | 174.4 | 0 | 0 | 0 | 113.5 | Q207 L209 | Q207-L211 HydrophobicContact CG-CD1 4.35Å; Q207-L211 WeakPolarHBondContact O-CG 3.27Å; Q207-L211 PolarHBondContact O-N 3.1Å; L209-L211 PolarHBondContact O-N 3.08Å |
| 212 | H | 96.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 21.2 | -179 | -67.4 | -66.4 | 0 | 0 | 0 | 113 | L180 A208 L209 M210 D214 P215 F216 | L180-H212 HydrophobicContact CD1-CB 3.97Å; A208-H212 PolarHBondContact O-CD2 3.19Å; L209-H212 CarbonylContact O-C 3.48Å; L209-H212 WeakPolarHBondContact O-CA 3.48Å; L209-H212 PolarHBondContact O-N 3.49Å; M210-H212 VanDerWaalsContact C-N 3.31Å; H212-D214 PolarHBondContact O-N 3.46Å; H212-P215 VanDerWaalsContact O-CD 3.32Å; H212-P215 WeakPolarHBondContact O-CD 3.28Å; H212-F216 PolarHBondContact O-N 3.08Å; H212-F216 VanDerWaalsContact O-N 3.08Å |
| 213 | I | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | -173.8 | -162.6 | 68.1 | 0 | 0 | 0 | 112.7 | L209 M210 F216 I217 L242 R246 | L209-I213 PolarHBondContact O-N 2.94Å; M210-I213 HydrophobicContact CE-CD1 4.33Å; M210-I213 HydrophobicContact SD-CD1 4.41Å; I213-F216 HydrophobicContact CD1-CD1 4.28Å; I213-F216 WeakPolarHBondContact O-CB 3.1Å; I213-F216 PolarHBondContact O-N 3.08Å; I213-I217 HydrophobicContact CG1-CD1 4.13Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 3.11Å; I213-L242 HydrophobicContact CD1-CD2 3.62Å; I213-R246 HydrophobicContact CD1-CG 4.28Å; I213-R246 HydrophobicContact CG1-CG 4.39Å |
| 214 | D | 94.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.6 | -48.4 | -177.5 | -56.3 | -32.4 | 0 | 0 | 0 | 110.7 | H212 F216 I217 E218 R249 | H212-D214 PolarHBondContact O-N 3.46Å; D214-F216 VanDerWaalsContact C-N 3.25Å; D214-F216 PolarHBondContact O-N 2.9Å; D214-I217 PolarHBondContact O-N 3.04Å; D214-E218 WeakPolarHBondContact O-CG 3.46Å; D214-E218 PolarHBondContact O-N 3.33Å; D214-R249 IonicContact OD1-CZ 3.1Å; D214-R249 IonicContact OD1-NE 2.7Å; D214-R249 PolarHBondContact OD1-NE 3.25Å; D214-R249 IonicContact OD1-NH2 3.1Å; D214-R249 PolarHBondContact OD1-NH2 2.99Å; D214-R249 VanDerWaalsContact OD1-NH2 3.14Å; D214-R249 IonicContact OD2-CZ 3.52Å; D214-R249 IonicContact OD2-NH2 2.83Å; D214-R249 PolarHBondContact OD2-NH2 2.87Å |
| 215 | P | 95.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.5 | -34.8 | 169.5 | -26.9 | 32.9 | 0 | 0 | 0 | 114.5 | H212 N219 | H212-P215 VanDerWaalsContact O-CD 3.32Å; H212-P215 WeakPolarHBondContact O-CD 3.28Å; P215-N219 PolarHBondContact O-N 2.89Å; P215-N219 VanDerWaalsContact O-N 3.14Å; P215-N219 PolarHBondContact O-ND2 3.1Å |
| 216 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 177.7 | 174.8 | -130.4 | 0 | 0 | 0 | 111.2 | L180 F183 V198 I202 L209 H212 I213 D214 E218 N219 L220 A238 L242 | L180-F216 HydrophobicContact CD2-CB 3.97Å; L180-F216 HydrophobicContact CD2-CD2 3.63Å; L180-F216 HydrophobicContact CD2-CG 4.21Å; F183-F216 AromaticContact CE2-CD2 3.85Å; F183-F216 HydrophobicContact CE2-CD2 3.85Å; F183-F216 AromaticContact CE2-CE2 3.74Å; F183-F216 HydrophobicContact CE2-CE2 3.74Å; F183-F216 AromaticContact CZ-CD2 3.92Å; F183-F216 HydrophobicContact CZ-CD2 3.92Å; F183-F216 AromaticContact CZ-CE2 3.71Å; F183-F216 HydrophobicContact CZ-CE2 3.71Å; V198-F216 HydrophobicContact CB-CE2 4.2Å; V198-F216 HydrophobicContact CG1-CD2 3.88Å; V198-F216 HydrophobicContact CG1-CE1 4.24Å; V198-F216 HydrophobicContact CG1-CE2 3.53Å; V198-F216 HydrophobicContact CG1-CG 4.37Å; V198-F216 HydrophobicContact CG1-CZ 3.71Å; I202-F216 HydrophobicContact CD1-CE1 3.84Å; I202-F216 HydrophobicContact CD1-CZ 3.9Å; I202-F216 HydrophobicContact CG1-CE1 4.18Å; I202-F216 HydrophobicContact CG1-CZ 4.49Å; L209-F216 HydrophobicContact CD1-CB 4.27Å; L209-F216 HydrophobicContact CD1-CD1 4.1Å; L209-F216 HydrophobicContact CD1-CG 4.16Å; H212-F216 PolarHBondContact O-N 3.08Å; H212-F216 VanDerWaalsContact O-N 3.08Å; I213-F216 HydrophobicContact CD1-CD1 4.28Å; I213-F216 WeakPolarHBondContact O-CB 3.1Å; I213-F216 PolarHBondContact O-N 3.08Å; D214-F216 VanDerWaalsContact C-N 3.25Å; D214-F216 PolarHBondContact O-N 2.9Å; F216-E218 PolarHBondContact O-N 3.41Å; F216-N219 PolarHBondContact O-N 2.97Å; F216-N219 VanDerWaalsContact O-N 3.15Å; F216-L220 HydrophobicContact CD1-CD1 4.28Å; F216-L220 HydrophobicContact CD2-CD1 4.35Å; F216-L220 HydrophobicContact CD2-CG 4.17Å; F216-L220 HydrophobicContact CE1-CD1 3.86Å; F216-L220 HydrophobicContact CE2-CD1 3.92Å; F216-L220 HydrophobicContact CE2-CD2 3.88Å; F216-L220 HydrophobicContact CE2-CG 3.85Å; F216-L220 HydrophobicContact CZ-CD1 3.68Å; F216-L220 HydrophobicContact CZ-CD2 4.2Å; F216-L220 HydrophobicContact CZ-CG 4.13Å; F216-L220 WeakPolarHBondContact O-CG 3.16Å; F216-L220 PolarHBondContact O-N 3.48Å; F216-A238 HydrophobicContact CZ-CB 4.02Å; F216-L242 HydrophobicContact CD1-CD1 4.14Å; F216-L242 HydrophobicContact CD1-CD2 4.37Å; F216-L242 HydrophobicContact CE1-CD1 3.77Å; F216-L242 HydrophobicContact CE1-CD2 4.16Å; F216-L242 HydrophobicContact CE1-CG 4.13Å |
| 217 | I | 95.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 178.2 | -67.9 | 168.7 | 0 | 0 | 0 | 111.3 | I213 D214 N219 L220 F221 L242 R249 L250 | I213-I217 HydrophobicContact CG1-CD1 4.13Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 3.11Å; D214-I217 PolarHBondContact O-N 3.04Å; I217-N219 VanDerWaalsContact C-N 3.3Å; I217-N219 PolarHBondContact O-N 3.22Å; I217-L220 PolarHBondContact O-N 3.46Å; I217-F221 HydrophobicContact CG2-CD2 3.93Å; I217-F221 HydrophobicContact CG2-CE1 4.25Å; I217-F221 HydrophobicContact CG2-CE2 3.32Å; I217-F221 HydrophobicContact CG2-CZ 3.5Å; I217-F221 WeakPolarHBondContact O-CG 3.49Å; I217-F221 PolarHBondContact O-N 3.37Å; I217-L242 HydrophobicContact CG1-CD1 3.99Å; I217-R249 HydrophobicContact CD1-CB 3.55Å; I217-R249 HydrophobicContact CD1-CG 4.32Å; I217-L250 HydrophobicContact CD1-CD2 4.22Å |
| 218 | E | 94.8 | Very high | 94.9 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.3 | -41.5 | 176.4 | -74.1 | 179.2 | -176.3 | 0 | 0 | 112.4 | D214 F216 A222 | D214-E218 WeakPolarHBondContact O-CG 3.46Å; D214-E218 PolarHBondContact O-N 3.33Å; F216-E218 PolarHBondContact O-N 3.41Å; E218-A222 PolarHBondContact O-N 3.34Å; E218-A222 VanDerWaalsContact O-N 3.14Å |
| 219 | N | 95.9 | Very high | 95 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.1 | -34.4 | 177.9 | -73.6 | -56.2 | 0 | 0 | 0 | 112.5 | F183 K184 P215 F216 I217 A222 L223 | F183-N219 HydrophobicContact CB-CB 4.05Å; F183-N219 HydrophobicContact CD2-CB 3.59Å; F183-N219 HydrophobicContact CE2-CB 4.36Å; F183-N219 HydrophobicContact CG-CB 4.11Å; K184-N219 WeakPolarHBondContact CE-OD1 3.34Å; P215-N219 PolarHBondContact O-N 2.89Å; P215-N219 VanDerWaalsContact O-N 3.14Å; P215-N219 PolarHBondContact O-ND2 3.1Å; F216-N219 PolarHBondContact O-N 2.97Å; F216-N219 VanDerWaalsContact O-N 3.15Å; I217-N219 VanDerWaalsContact C-N 3.3Å; I217-N219 PolarHBondContact O-N 3.22Å; N219-A222 PolarHBondContact O-N 3.1Å; N219-L223 WeakPolarHBondContact O-CG 3.26Å; N219-L223 PolarHBondContact O-N 3.18Å |
| 220 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 173.1 | -71.3 | 176.7 | 0 | 0 | 0 | 111.1 | F183 I195 F216 I217 A222 L223 A224 V235 A238 L239 L242 | F183-L220 HydrophobicContact CE2-CD2 4.09Å; I195-L220 HydrophobicContact CG2-CD2 4.22Å; F216-L220 HydrophobicContact CD1-CD1 4.28Å; F216-L220 HydrophobicContact CD2-CD1 4.35Å; F216-L220 HydrophobicContact CD2-CG 4.17Å; F216-L220 HydrophobicContact CE1-CD1 3.86Å; F216-L220 HydrophobicContact CE2-CD1 3.92Å; F216-L220 HydrophobicContact CE2-CD2 3.88Å; F216-L220 HydrophobicContact CE2-CG 3.85Å; F216-L220 HydrophobicContact CZ-CD1 3.68Å; F216-L220 HydrophobicContact CZ-CD2 4.2Å; F216-L220 HydrophobicContact CZ-CG 4.13Å; F216-L220 WeakPolarHBondContact O-CG 3.16Å; F216-L220 PolarHBondContact O-N 3.48Å; I217-L220 PolarHBondContact O-N 3.46Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.26Å; L220-L223 CarbonylContact O-C 3.48Å; L220-L223 WeakPolarHBondContact O-CA 3.28Å; L220-L223 PolarHBondContact O-N 2.63Å; L220-A224 PolarHBondContact O-N 2.85Å; L220-A224 VanDerWaalsContact O-N 3.07Å; L220-V235 HydrophobicContact CD2-CG2 4.2Å; L220-A238 HydrophobicContact CD1-CB 3.79Å; L220-A238 HydrophobicContact CD2-CB 3.79Å; L220-A238 HydrophobicContact CG-CB 4.47Å; L220-L239 HydrophobicContact CD1-CD2 4.43Å; L220-L242 HydrophobicContact CD1-CD1 3.67Å |
| 221 | F | 94.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 177.6 | -64.2 | -25 | 0 | 0 | 0 | 112.7 | I217 L223 A224 L239 H253 I257 | I217-F221 HydrophobicContact CG2-CD2 3.93Å; I217-F221 HydrophobicContact CG2-CE1 4.25Å; I217-F221 HydrophobicContact CG2-CE2 3.32Å; I217-F221 HydrophobicContact CG2-CZ 3.5Å; I217-F221 WeakPolarHBondContact O-CG 3.49Å; I217-F221 PolarHBondContact O-N 3.37Å; F221-L223 PolarHBondContact O-N 3.27Å; F221-A224 WeakPolarHBondContact O-CB 3.46Å; F221-A224 PolarHBondContact O-N 2.66Å; F221-L239 HydrophobicContact CE1-CD2 4.1Å; F221-H253 HydrophobicContact CE2-CB 4.05Å; F221-H253 AromaticContact CE2-CD2 3.77Å; F221-H253 AromaticContact CE2-CG 3.72Å; F221-H253 HydrophobicContact CZ-CB 3.82Å; F221-I257 HydrophobicContact CE1-CD1 4.13Å; F221-I257 HydrophobicContact CE1-CG1 3.98Å; F221-I257 HydrophobicContact CZ-CD1 4.05Å; F221-I257 HydrophobicContact CZ-CG1 4.25Å |
| 222 | A | 94 | Very high | 95.2 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 54% | 0.537 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.9 | -24.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E218 N219 L220 | E218-A222 PolarHBondContact O-N 3.34Å; E218-A222 VanDerWaalsContact O-N 3.14Å; N219-A222 PolarHBondContact O-N 3.1Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.26Å |
| 223 | L | 95.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -98.7 | -1.9 | 178.8 | -65.7 | -179.8 | 0 | 0 | 0 | 114 | F183 I195 N219 L220 F221 T225 D226 V231 V235 | F183-L223 HydrophobicContact CB-CD1 3.98Å; F183-L223 HydrophobicContact CD2-CD1 3.85Å; F183-L223 HydrophobicContact CG-CD1 4.2Å; F183-L223 WeakPolarHBondContact O-CD2 3.26Å; I195-L223 HydrophobicContact CD1-CD1 3.83Å; I195-L223 HydrophobicContact CG1-CD1 4.34Å; N219-L223 WeakPolarHBondContact O-CG 3.26Å; N219-L223 PolarHBondContact O-N 3.18Å; L220-L223 CarbonylContact O-C 3.48Å; L220-L223 WeakPolarHBondContact O-CA 3.28Å; L220-L223 PolarHBondContact O-N 2.63Å; F221-L223 PolarHBondContact O-N 3.27Å; L223-T225 PolarHBondContact O-N 3.11Å; L223-T225 VanDerWaalsContact O-N 3.15Å; L223-D226 VanDerWaalsContact O-CB 3.26Å; L223-D226 WeakPolarHBondContact O-CB 3.37Å; L223-D226 PolarHBondContact O-N 3.05Å; L223-V231 HydrophobicContact CB-CG1 4.32Å; L223-V231 HydrophobicContact CD1-CG1 4.36Å; L223-V235 HydrophobicContact CB-CG2 3.99Å |
| 224 | A | 90.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L220 F221 Y260 | L220-A224 PolarHBondContact O-N 2.85Å; L220-A224 VanDerWaalsContact O-N 3.07Å; F221-A224 WeakPolarHBondContact O-CB 3.46Å; F221-A224 PolarHBondContact O-N 2.66Å; A224-Y260 HydrophobicContact CB-CD2 4.08Å; A224-Y260 HydrophobicContact CB-CE2 3.81Å; A224-Y260 WeakPolarHBondContact O-CE2 3.25Å |
| 225 | T | 90.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 47 Ų | 47 | 76% | 0.761 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 14.1 | 178.8 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | L223 | L223-T225 PolarHBondContact O-N 3.11Å; L223-T225 VanDerWaalsContact O-N 3.15Å |
| 226 | D | 95.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | -63.9 | 139.2 | 176.4 | -155.3 | -49.6 | 0 | 0 | 0 | 110.6 | R191 L223 E228 V231 R232 | R191-D226 IonicContact CZ-OD2 3.67Å; R191-D226 IonicContact NE-OD2 3.5Å; R191-D226 PolarHBondContact NE-OD2 3.49Å; R191-D226 VanDerWaalsContact NH2-CG 3.31Å; R191-D226 IonicContact NH2-OD1 3.83Å; R191-D226 PolarHBondContact NH2-OD1 2.72Å; R191-D226 VanDerWaalsContact NH2-OD1 3.12Å; R191-D226 IonicContact NH2-OD2 3.54Å; R191-D226 PolarHBondContact NH2-OD2 2.95Å; L223-D226 VanDerWaalsContact O-CB 3.26Å; L223-D226 WeakPolarHBondContact O-CB 3.37Å; L223-D226 PolarHBondContact O-N 3.05Å; D226-E228 PolarHBondContact OD1-N 3.49Å; D226-V231 HydrophobicContact CB-CB 4.17Å; D226-V231 HydrophobicContact CB-CG1 3.8Å; D226-R232 WeakPolarHBondContact O-CD 3.34Å; D226-R232 VanDerWaalsContact O-CG 3.26Å; D226-R232 WeakPolarHBondContact O-CG 3.44Å; D226-R232 PolarHBondContact O-NE 2.73Å | ||
| 227 | E | 93.3 | Very high | 95.5 | Very high | 175 Ų | 175 | 48.8 Ų | 48.8 | 82% | 0.818 | 25% | 0.25 | S | C | * | . | trans | -82.1 | -23.5 | -179.4 | -65.1 | -174.3 | 169.3 | 0 | 0 | 111.7 | P229 R232 | E227-P229 WeakPolarHBondContact O-CD 3.23Å; E227-R232 PolarHBondContact O-NE 3.45Å; E227-R232 PolarHBondContact O-NH2 3.38Å | ||
| 228 | E | 96.9 | Very high | 95.7 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | trans | -70.1 | 124.7 | -178.1 | -172.1 | 72 | -150.5 | 0 | 0 | 111.2 | P188 D226 E230 V231 R232 | P188-E228 HydrophobicContact CB-CB 3.71Å; P188-E228 HydrophobicContact CB-CG 3.74Å; P188-E228 HydrophobicContact CG-CG 4.45Å; D226-E228 PolarHBondContact OD1-N 3.49Å; E228-E230 HydrophobicContact CG-CB 4.36Å; E228-E230 PolarHBondContact O-N 2.73Å; E228-V231 HydrophobicContact CB-CB 4.25Å; E228-V231 HydrophobicContact CB-CG2 3.93Å; E228-V231 HydrophobicContact CG-CG2 4.23Å; E228-V231 PolarHBondContact O-N 3.47Å; E228-R232 PolarHBondContact O-N 3.19Å; E228-R232 VanDerWaalsContact O-N 3.13Å | ||
| 229 | P | 96.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 42 Ų | 42 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 178.5 | -25.2 | 34.3 | 0 | 0 | 0 | 113.4 | E227 V231 R232 K233 D269 V272 | E227-P229 WeakPolarHBondContact O-CD 3.23Å; P229-V231 VanDerWaalsContact C-N 3.26Å; P229-V231 PolarHBondContact O-N 2.71Å; P229-R232 PolarHBondContact O-N 3.01Å; P229-R232 VanDerWaalsContact O-N 3.15Å; P229-K233 WeakPolarHBondContact O-CB 3.42Å; P229-K233 PolarHBondContact O-N 3.47Å; P229-D269 HydrophobicContact CB-CB 4.33Å; P229-V272 HydrophobicContact CB-CG2 4.02Å; P229-V272 WeakPolarHBondContact O-CG2 3.44Å |
| 230 | E | 96.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63 | -30.3 | -179.7 | -81.8 | -60.9 | 137.5 | 0 | 0 | 113.6 | E228 K233 N234 | E228-E230 HydrophobicContact CG-CB 4.36Å; E228-E230 PolarHBondContact O-N 2.73Å; E230-K233 IonicContact OE1-NZ 3.12Å; E230-K233 PolarHBondContact OE1-NZ 3.12Å; E230-K233 VanDerWaalsContact OE2-CE 3.29Å; E230-K233 WeakPolarHBondContact OE2-CE 3.49Å; E230-K233 IonicContact OE2-NZ 2.74Å; E230-K233 PolarHBondContact OE2-NZ 3.04Å; E230-N234 PolarHBondContact O-N 3.34Å; E230-N234 PolarHBondContact O-ND2 3.06Å |
| 231 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.8 | -49 | 174 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | P188 R191 I195 L223 D226 E228 P229 K233 N234 V235 | P188-V231 HydrophobicContact CB-CG2 4.22Å; P188-V231 WeakPolarHBondContact O-CG2 3.08Å; R191-V231 HydrophobicContact CB-CG2 4.04Å; I195-V231 HydrophobicContact CD1-CG1 3.86Å; L223-V231 HydrophobicContact CB-CG1 4.32Å; L223-V231 HydrophobicContact CD1-CG1 4.36Å; D226-V231 HydrophobicContact CB-CB 4.17Å; D226-V231 HydrophobicContact CB-CG1 3.8Å; E228-V231 HydrophobicContact CB-CB 4.25Å; E228-V231 HydrophobicContact CB-CG2 3.93Å; E228-V231 HydrophobicContact CG-CG2 4.23Å; E228-V231 PolarHBondContact O-N 3.47Å; P229-V231 VanDerWaalsContact C-N 3.26Å; P229-V231 PolarHBondContact O-N 2.71Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 PolarHBondContact O-N 3.49Å; V231-N234 PolarHBondContact O-N 3.5Å; V231-V235 HydrophobicContact CG1-CG2 4.33Å; V231-V235 WeakPolarHBondContact O-CG2 3.23Å; V231-V235 PolarHBondContact O-N 3.45Å |
| 232 | R | 97.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 178.3 | -74.3 | -176.6 | -79.8 | 156.1 | -1 | 112.2 | D226 E227 E228 P229 N234 V235 C236 D267 V272 | D226-R232 WeakPolarHBondContact O-CD 3.34Å; D226-R232 VanDerWaalsContact O-CG 3.26Å; D226-R232 WeakPolarHBondContact O-CG 3.44Å; D226-R232 PolarHBondContact O-NE 2.73Å; E227-R232 PolarHBondContact O-NE 3.45Å; E227-R232 PolarHBondContact O-NH2 3.38Å; E228-R232 PolarHBondContact O-N 3.19Å; E228-R232 VanDerWaalsContact O-N 3.13Å; P229-R232 PolarHBondContact O-N 3.01Å; P229-R232 VanDerWaalsContact O-N 3.15Å; R232-N234 PolarHBondContact O-N 3.01Å; R232-V235 PolarHBondContact O-N 3.38Å; R232-C236 PolarHBondContact O-N 3.05Å; R232-C236 PolarHBondContact O-SG 3.5Å; R232-D267 IonicContact CZ-OD1 2.82Å; R232-D267 IonicContact CZ-OD2 3.96Å; R232-D267 IonicContact NH1-OD1 3.34Å; R232-D267 PolarHBondContact NH1-OD1 2.92Å; R232-D267 IonicContact NH1-OD2 3.79Å; R232-D267 PolarHBondContact NH1-OD2 3.4Å; R232-D267 IonicContact NH2-OD1 2.64Å; R232-V272 HydrophobicContact CB-CG1 3.99Å; R232-V272 HydrophobicContact CB-CG2 4.32Å |
| 233 | K | 97 | Very high | 96.2 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.1 | -53.8 | 175.5 | -167.3 | -173.9 | 70.4 | -171.3 | 0 | 111.5 | P229 E230 V231 V235 C236 R237 N271 V272 E275 | P229-K233 WeakPolarHBondContact O-CB 3.42Å; P229-K233 PolarHBondContact O-N 3.47Å; E230-K233 IonicContact OE1-NZ 3.12Å; E230-K233 PolarHBondContact OE1-NZ 3.12Å; E230-K233 VanDerWaalsContact OE2-CE 3.29Å; E230-K233 WeakPolarHBondContact OE2-CE 3.49Å; E230-K233 IonicContact OE2-NZ 2.74Å; E230-K233 PolarHBondContact OE2-NZ 3.04Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 PolarHBondContact O-N 3.49Å; K233-V235 VanDerWaalsContact C-N 3.32Å; K233-V235 PolarHBondContact O-N 3.28Å; K233-C236 WeakPolarHBondContact O-CB 3.5Å; K233-C236 PolarHBondContact O-N 3.44Å; K233-R237 PolarHBondContact O-N 3.23Å; K233-N271 HydrophobicContact CD-CB 4Å; K233-V272 HydrophobicContact CB-CG2 4.19Å; K233-E275 HydrophobicContact CD-CG 4.37Å; K233-E275 HydrophobicContact CG-CB 4.22Å; K233-E275 HydrophobicContact CG-CG 3.68Å |
| 234 | N | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -31.4 | 179.7 | -77.8 | -61.6 | 0 | 0 | 0 | 113.3 | S192 I195 N199 E230 V231 R232 A238 | S192-N234 PolarHBondContact OG-ND2 2.69Å; I195-N234 HydrophobicContact CB-CB 3.94Å; I195-N234 HydrophobicContact CD1-CB 4.36Å; I195-N234 HydrophobicContact CG2-CB 3.68Å; N199-N234 PolarHBondContact ND2-O 3.45Å; N199-N234 VanDerWaalsContact ND2-O 3.07Å; E230-N234 PolarHBondContact O-N 3.34Å; E230-N234 PolarHBondContact O-ND2 3.06Å; V231-N234 PolarHBondContact O-N 3.5Å; R232-N234 PolarHBondContact O-N 3.01Å; N234-A238 VanDerWaalsContact O-CB 3.29Å; N234-A238 WeakPolarHBondContact O-CB 3.47Å; N234-A238 PolarHBondContact O-N 2.81Å |
| 235 | V | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 172.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I195 L220 L223 V231 R232 K233 A238 L239 Y260 | I195-V235 HydrophobicContact CD1-CG2 3.96Å; L220-V235 HydrophobicContact CD2-CG2 4.2Å; L223-V235 HydrophobicContact CB-CG2 3.99Å; V231-V235 HydrophobicContact CG1-CG2 4.33Å; V231-V235 WeakPolarHBondContact O-CG2 3.23Å; V231-V235 PolarHBondContact O-N 3.45Å; R232-V235 PolarHBondContact O-N 3.38Å; K233-V235 VanDerWaalsContact C-N 3.32Å; K233-V235 PolarHBondContact O-N 3.28Å; V235-A238 PolarHBondContact O-N 3.2Å; V235-L239 HydrophobicContact CG1-CD1 4.19Å; V235-L239 WeakPolarHBondContact O-CG 3.4Å; V235-L239 PolarHBondContact O-N 3.31Å; V235-L239 VanDerWaalsContact O-N 3.09Å; V235-Y260 HydrophobicContact CG1-CE1 4.35Å |
| 236 | C | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -54.3 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | R232 K233 A238 L239 V240 M261 E275 A276 | R232-C236 PolarHBondContact O-N 3.05Å; R232-C236 PolarHBondContact O-SG 3.5Å; K233-C236 WeakPolarHBondContact O-CB 3.5Å; K233-C236 PolarHBondContact O-N 3.44Å; C236-A238 VanDerWaalsContact C-N 3.29Å; C236-A238 PolarHBondContact O-N 3.29Å; C236-L239 WeakPolarHBondContact O-CB 3.5Å; C236-L239 PolarHBondContact O-N 3.37Å; C236-V240 WeakPolarHBondContact O-CG2 3.32Å; C236-V240 PolarHBondContact O-N 2.68Å; C236-M261 HydrophobicContact CB-SD 4.49Å; C236-E275 HydrophobicContact CB-CB 4.11Å; C236-A276 HydrophobicContact CB-CB 4.44Å |
| 237 | R | 97.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 35.8 Ų | 35.8 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -54.2 | -42.9 | 177 | -165.4 | 171 | 175.6 | -170.4 | -3.1 | 113.4 | K233 L239 V240 M241 E275 | K233-R237 PolarHBondContact O-N 3.23Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.18Å; R237-V240 PolarHBondContact O-N 3.15Å; R237-M241 HydrophobicContact CG-CE 3.81Å; R237-M241 HydrophobicContact CG-SD 4.36Å; R237-M241 WeakPolarHBondContact O-CG 3.38Å; R237-M241 PolarHBondContact O-N 3.25Å; R237-E275 VanDerWaalsContact CB-OE2 3.23Å; R237-E275 WeakPolarHBondContact CB-OE2 3.39Å; R237-E275 WeakPolarHBondContact CD-OE2 3.26Å; R237-E275 VanDerWaalsContact CG-OE2 3.28Å; R237-E275 WeakPolarHBondContact CG-OE2 3.21Å |
| 238 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I195 N199 I202 F216 L220 N234 V235 C236 L242 | I195-A238 HydrophobicContact CG2-CB 4.41Å; N199-A238 VanDerWaalsContact OD1-CB 3.22Å; N199-A238 WeakPolarHBondContact OD1-CB 3.22Å; I202-A238 HydrophobicContact CD1-CB 4.24Å; F216-A238 HydrophobicContact CZ-CB 4.02Å; L220-A238 HydrophobicContact CD1-CB 3.79Å; L220-A238 HydrophobicContact CD2-CB 3.79Å; L220-A238 HydrophobicContact CG-CB 4.47Å; N234-A238 VanDerWaalsContact O-CB 3.29Å; N234-A238 WeakPolarHBondContact O-CB 3.47Å; N234-A238 PolarHBondContact O-N 2.81Å; V235-A238 PolarHBondContact O-N 3.2Å; C236-A238 VanDerWaalsContact C-N 3.29Å; C236-A238 PolarHBondContact O-N 3.29Å; A238-L242 VanDerWaalsContact O-CB 3.31Å; A238-L242 WeakPolarHBondContact O-CB 3.34Å; A238-L242 WeakPolarHBondContact O-CG 3.28Å; A238-L242 PolarHBondContact O-N 3.44Å |
| 239 | L | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.9 | -36.2 | 178.9 | -71.9 | 171 | 0 | 0 | 0 | 112.1 | L220 F221 V235 C236 R237 L242 L243 L250 Y260 M261 | L220-L239 HydrophobicContact CD1-CD2 4.43Å; F221-L239 HydrophobicContact CE1-CD2 4.1Å; V235-L239 HydrophobicContact CG1-CD1 4.19Å; V235-L239 WeakPolarHBondContact O-CG 3.4Å; V235-L239 PolarHBondContact O-N 3.31Å; V235-L239 VanDerWaalsContact O-N 3.09Å; C236-L239 WeakPolarHBondContact O-CB 3.5Å; C236-L239 PolarHBondContact O-N 3.37Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.18Å; L239-L242 PolarHBondContact O-N 3.3Å; L239-L243 PolarHBondContact O-N 3.44Å; L239-L250 HydrophobicContact CD2-CD2 4.39Å; L239-Y260 HydrophobicContact CD1-CD1 4.09Å; L239-Y260 HydrophobicContact CD1-CE1 4.05Å; L239-M261 HydrophobicContact CB-CE 3.33Å; L239-M261 HydrophobicContact CD1-CE 3.62Å; L239-M261 HydrophobicContact CG-CE 4.12Å |
| 240 | V | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -55 | 172.2 | 177 | 0 | 0 | 0 | 0 | 110 | C236 R237 L242 L243 E278 F279 T282 | C236-V240 WeakPolarHBondContact O-CG2 3.32Å; C236-V240 PolarHBondContact O-N 2.68Å; R237-V240 PolarHBondContact O-N 3.15Å; V240-L242 VanDerWaalsContact C-N 3.3Å; V240-L242 PolarHBondContact O-N 3.28Å; V240-L243 WeakPolarHBondContact O-CB 3.25Å; V240-L243 PolarHBondContact O-N 3.28Å; V240-E278 HydrophobicContact CG1-CB 4.25Å; V240-E278 HydrophobicContact CG2-CB 4.29Å; V240-F279 HydrophobicContact CG2-CB 3.91Å; V240-T282 HydrophobicContact CG1-CG2 4.48Å; V240-T282 WeakPolarHBondContact CG1-OG1 3.12Å |
| 241 | M | 97.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.7 | -66.5 | 173.4 | 173.3 | 0 | 0 | 112.5 | N199 I202 I203 R237 L243 E244 V245 | N199-M241 HydrophobicContact CB-SD 4.12Å; I202-M241 HydrophobicContact CB-CB 3.91Å; I202-M241 HydrophobicContact CB-SD 4.36Å; I202-M241 HydrophobicContact CD1-CB 3.96Å; I202-M241 HydrophobicContact CD1-SD 4.06Å; I202-M241 HydrophobicContact CG2-CB 3.56Å; I203-M241 HydrophobicContact CD1-CB 3.77Å; I203-M241 HydrophobicContact CD1-CG 3.98Å; I203-M241 HydrophobicContact CG1-CB 4.33Å; I203-M241 HydrophobicContact CG1-CG 4.16Å; R237-M241 HydrophobicContact CG-CE 3.81Å; R237-M241 HydrophobicContact CG-SD 4.36Å; R237-M241 WeakPolarHBondContact O-CG 3.38Å; R237-M241 PolarHBondContact O-N 3.25Å; M241-L243 PolarHBondContact O-N 3.1Å; M241-E244 PolarHBondContact O-N 3.46Å; M241-V245 WeakPolarHBondContact O-CG2 3.32Å; M241-V245 PolarHBondContact O-N 3.18Å |
| 242 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -27.9 | 176.4 | -78.4 | 172.3 | 0 | 0 | 0 | 112.8 | I202 I213 F216 I217 L220 A238 L239 V240 E244 R246 L247 L250 | I202-L242 HydrophobicContact CG2-CD2 4.04Å; I202-L242 HydrophobicContact CG2-CG 4.23Å; I213-L242 HydrophobicContact CD1-CD2 3.62Å; F216-L242 HydrophobicContact CD1-CD1 4.14Å; F216-L242 HydrophobicContact CD1-CD2 4.37Å; F216-L242 HydrophobicContact CE1-CD1 3.77Å; F216-L242 HydrophobicContact CE1-CD2 4.16Å; F216-L242 HydrophobicContact CE1-CG 4.13Å; I217-L242 HydrophobicContact CG1-CD1 3.99Å; L220-L242 HydrophobicContact CD1-CD1 3.67Å; A238-L242 VanDerWaalsContact O-CB 3.31Å; A238-L242 WeakPolarHBondContact O-CB 3.34Å; A238-L242 WeakPolarHBondContact O-CG 3.28Å; A238-L242 PolarHBondContact O-N 3.44Å; L239-L242 PolarHBondContact O-N 3.3Å; V240-L242 VanDerWaalsContact C-N 3.3Å; V240-L242 PolarHBondContact O-N 3.28Å; L242-E244 VanDerWaalsContact C-N 3.32Å; L242-R246 HydrophobicContact CD2-CB 4.24Å; L242-R246 CarbonylContact O-C 3.43Å; L242-R246 VanDerWaalsContact O-CA 3.31Å; L242-R246 WeakPolarHBondContact O-CA 3.43Å; L242-R246 PolarHBondContact O-N 3.2Å; L242-L247 PolarHBondContact O-N 3Å; L242-L250 HydrophobicContact CB-CD1 3.86Å; L242-L250 HydrophobicContact CB-CD2 4.38Å; L242-L250 HydrophobicContact CB-CG 4.36Å; L242-L250 HydrophobicContact CD1-CD2 4.42Å |
| 243 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 177.2 | -171.5 | 65.1 | 0 | 0 | 0 | 111.1 | L239 V240 M241 L247 L250 M254 F279 T282 L283 Q286 | L239-L243 PolarHBondContact O-N 3.44Å; V240-L243 WeakPolarHBondContact O-CB 3.25Å; V240-L243 PolarHBondContact O-N 3.28Å; M241-L243 PolarHBondContact O-N 3.1Å; L243-L247 HydrophobicContact CD1-CD1 3.6Å; L243-L247 WeakPolarHBondContact O-CB 3.28Å; L243-L250 HydrophobicContact CB-CD1 4.29Å; L243-L250 HydrophobicContact CD1-CD1 4.32Å; L243-M254 HydrophobicContact CD1-CE 3.7Å; L243-F279 HydrophobicContact CD1-CE2 4.34Å; L243-F279 HydrophobicContact CD2-CD2 3.96Å; L243-F279 HydrophobicContact CD2-CE2 3.77Å; L243-F279 HydrophobicContact CD2-CZ 4.27Å; L243-T282 HydrophobicContact CB-CG2 4.17Å; L243-T282 HydrophobicContact CD2-CG2 3.89Å; L243-T282 HydrophobicContact CG-CG2 4.2Å; L243-L283 HydrophobicContact CD1-CD1 4.17Å; L243-L283 HydrophobicContact CD2-CB 3.7Å; L243-L283 HydrophobicContact CD2-CD1 4.14Å; L243-L283 HydrophobicContact CD2-CG 4.49Å; L243-Q286 HydrophobicContact CG-CG 4.4Å |
| 244 | E | 94.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.6 | -44.8 | 178.5 | -64.8 | 177 | -165 | 0 | 0 | 112.7 | I203 M241 L242 T282 | I203-E244 HydrophobicContact CD1-CB 4.47Å; I203-E244 VanDerWaalsContact CD1-OE2 3.23Å; I203-E244 WeakPolarHBondContact CD1-OE2 3.41Å; M241-E244 PolarHBondContact O-N 3.46Å; L242-E244 VanDerWaalsContact C-N 3.32Å; E244-T282 HydrophobicContact CG-CG2 3.3Å |
| 245 | V | 95 | Very high | 95.9 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -98.5 | -27.1 | -169.6 | -62.5 | 0 | 0 | 0 | 0 | 114.7 | I202 I203 R205 M241 | I202-V245 HydrophobicContact CG2-CG2 3.52Å; I203-V245 HydrophobicContact CD1-CG1 4.17Å; R205-V245 HydrophobicContact CG-CB 4.16Å; R205-V245 HydrophobicContact CG-CG1 4.06Å; M241-V245 WeakPolarHBondContact O-CG2 3.32Å; M241-V245 PolarHBondContact O-N 3.18Å |
| 246 | R | 94.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -140.2 | 40.9 | -170.4 | -67.5 | -56.3 | -59.1 | -93.4 | 4.9 | 112.8 | M210 I213 L242 D248 R249 L250 | M210-R246 HydrophobicContact CE-CG 4.35Å; M210-R246 HydrophobicContact SD-CG 3.98Å; I213-R246 HydrophobicContact CD1-CG 4.28Å; I213-R246 HydrophobicContact CG1-CG 4.39Å; L242-R246 HydrophobicContact CD2-CB 4.24Å; L242-R246 CarbonylContact O-C 3.43Å; L242-R246 VanDerWaalsContact O-CA 3.31Å; L242-R246 WeakPolarHBondContact O-CA 3.43Å; L242-R246 PolarHBondContact O-N 3.2Å; R246-D248 VanDerWaalsContact CA-OD1 3.3Å; R246-D248 WeakPolarHBondContact CA-OD1 3.5Å; R246-D248 IonicContact CZ-OD1 2.91Å; R246-D248 IonicContact CZ-OD2 3.44Å; R246-D248 IonicContact NE-OD1 3Å; R246-D248 PolarHBondContact NE-OD1 3.19Å; R246-D248 IonicContact NE-OD2 2.74Å; R246-D248 IonicContact NH2-OD1 2.69Å; R246-D248 IonicContact NH2-OD2 3.87Å; R246-D248 PolarHBondContact NH2-OD2 3.06Å; R246-D248 PolarHBondContact O-N 3.05Å; R246-D248 VanDerWaalsContact O-N 3.09Å; R246-R249 PolarHBondContact O-N 3.29Å; R246-L250 PolarHBondContact O-N 3.27Å |
| 247 | L | 94 | Very high | 95.7 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -47.4 | -37.6 | 170.3 | 179.2 | 62 | 0 | 0 | 0 | 112.2 | L242 L243 R249 L250 L251 M254 Q286 V288 | L242-L247 PolarHBondContact O-N 3Å; L243-L247 HydrophobicContact CD1-CD1 3.6Å; L243-L247 WeakPolarHBondContact O-CB 3.28Å; L247-R249 PolarHBondContact O-N 3.21Å; L247-R249 VanDerWaalsContact O-N 3.11Å; L247-L250 PolarHBondContact O-N 3.44Å; L247-L251 HydrophobicContact CD1-CD2 4.04Å; L247-L251 HydrophobicContact CD1-CG 4.04Å; L247-L251 HydrophobicContact CG-CD1 4.28Å; L247-L251 HydrophobicContact CG-CD2 4.37Å; L247-L251 HydrophobicContact CG-CG 4.04Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.01Å; L247-M254 HydrophobicContact CD1-CE 3.58Å; L247-Q286 HydrophobicContact CD2-CB 4.4Å; L247-Q286 HydrophobicContact CD2-CG 4.43Å; L247-V288 HydrophobicContact CD1-CG2 4.19Å; L247-V288 HydrophobicContact CD2-CG1 4.48Å; L247-V288 HydrophobicContact CD2-CG2 3.79Å |
| 248 | D | 94 | Very high | 95.7 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -51.4 | -35.8 | 177.4 | 69.7 | -59.9 | 0 | 0 | 0 | 113.6 | R246 | R246-D248 VanDerWaalsContact CA-OD1 3.3Å; R246-D248 WeakPolarHBondContact CA-OD1 3.5Å; R246-D248 IonicContact CZ-OD1 2.91Å; R246-D248 IonicContact CZ-OD2 3.44Å; R246-D248 IonicContact NE-OD1 3Å; R246-D248 PolarHBondContact NE-OD1 3.19Å; R246-D248 IonicContact NE-OD2 2.74Å; R246-D248 IonicContact NH2-OD1 2.69Å; R246-D248 IonicContact NH2-OD2 3.87Å; R246-D248 PolarHBondContact NH2-OD2 3.06Å; R246-D248 PolarHBondContact O-N 3.05Å; R246-D248 VanDerWaalsContact O-N 3.09Å |
| 249 | R | 94.9 | Very high | 95.7 | Very high | 97 Ų | 97 | 45.7 Ų | 45.7 | 37% | 0.366 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -88.3 | -25.1 | 179.6 | -63.6 | -52.3 | -137.5 | -152.2 | 8.2 | 113.7 | D214 I217 R246 L247 P252 | D214-R249 IonicContact OD1-CZ 3.1Å; D214-R249 IonicContact OD1-NE 2.7Å; D214-R249 PolarHBondContact OD1-NE 3.25Å; D214-R249 IonicContact OD1-NH2 3.1Å; D214-R249 PolarHBondContact OD1-NH2 2.99Å; D214-R249 VanDerWaalsContact OD1-NH2 3.14Å; D214-R249 IonicContact OD2-CZ 3.52Å; D214-R249 IonicContact OD2-NH2 2.83Å; D214-R249 PolarHBondContact OD2-NH2 2.87Å; I217-R249 HydrophobicContact CD1-CB 3.55Å; I217-R249 HydrophobicContact CD1-CG 4.32Å; R246-R249 PolarHBondContact O-N 3.29Å; L247-R249 PolarHBondContact O-N 3.21Å; L247-R249 VanDerWaalsContact O-N 3.11Å; R249-P252 WeakPolarHBondContact O-CD 3.4Å |
| 250 | L | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -82.7 | -30.8 | 179.3 | -60.8 | -170.2 | 0 | 0 | 0 | 112.6 | I217 L239 L242 L243 R246 L247 P252 H253 M254 I257 | I217-L250 HydrophobicContact CD1-CD2 4.22Å; L239-L250 HydrophobicContact CD2-CD2 4.39Å; L242-L250 HydrophobicContact CB-CD1 3.86Å; L242-L250 HydrophobicContact CB-CD2 4.38Å; L242-L250 HydrophobicContact CB-CG 4.36Å; L242-L250 HydrophobicContact CD1-CD2 4.42Å; L243-L250 HydrophobicContact CB-CD1 4.29Å; L243-L250 HydrophobicContact CD1-CD1 4.32Å; R246-L250 PolarHBondContact O-N 3.27Å; L247-L250 PolarHBondContact O-N 3.44Å; L250-P252 VanDerWaalsContact C-CD 3.41Å; L250-H253 CarbonylContact O-C 3.6Å; L250-H253 WeakPolarHBondContact O-CA 3.31Å; L250-H253 PolarHBondContact O-N 2.95Å; L250-M254 HydrophobicContact CB-CE 4.08Å; L250-M254 PolarHBondContact O-N 3.28Å; L250-I257 HydrophobicContact CB-CD1 3.96Å; L250-I257 HydrophobicContact CD2-CD1 4.02Å; L250-I257 HydrophobicContact CG-CD1 4.39Å |
| 251 | L | 94.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -47.5 | -44.7 | -177.7 | -79.3 | 172.3 | 0 | 0 | 0 | 114.9 | L247 H253 M254 V288 | L247-L251 HydrophobicContact CD1-CD2 4.04Å; L247-L251 HydrophobicContact CD1-CG 4.04Å; L247-L251 HydrophobicContact CG-CD1 4.28Å; L247-L251 HydrophobicContact CG-CD2 4.37Å; L247-L251 HydrophobicContact CG-CG 4.04Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.01Å; L251-H253 PolarHBondContact O-N 3.36Å; L251-H253 VanDerWaalsContact O-N 3.13Å; L251-M254 HydrophobicContact CD2-CE 4.48Å; L251-M254 WeakPolarHBondContact O-CB 3.35Å; L251-M254 PolarHBondContact O-N 3.29Å; L251-V288 HydrophobicContact CD2-CG2 4.34Å |
| 252 | P | 95.3 | Very high | 95.7 | Very high | 101 Ų | 101 | 46 Ų | 46 | 66% | 0.656 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62 | -21.4 | 178.3 | -23 | 34.8 | 0 | 0 | 0 | 114.6 | R249 L250 | R249-P252 WeakPolarHBondContact O-CD 3.4Å; L250-P252 VanDerWaalsContact C-CD 3.41Å |
| 253 | H | 95.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 38% | 0.375 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -112.9 | 4.6 | -176.6 | -57.4 | -68.7 | 0 | 0 | 0 | 112.6 | F221 L250 L251 H255 N256 I257 | F221-H253 HydrophobicContact CE2-CB 4.05Å; F221-H253 AromaticContact CE2-CD2 3.77Å; F221-H253 AromaticContact CE2-CG 3.72Å; F221-H253 HydrophobicContact CZ-CB 3.82Å; L250-H253 CarbonylContact O-C 3.6Å; L250-H253 WeakPolarHBondContact O-CA 3.31Å; L250-H253 PolarHBondContact O-N 2.95Å; L251-H253 PolarHBondContact O-N 3.36Å; L251-H253 VanDerWaalsContact O-N 3.13Å; H253-H255 VanDerWaalsContact C-N 3.31Å; H253-H255 PolarHBondContact O-N 2.76Å; H253-N256 PolarHBondContact O-N 2.92Å; H253-I257 HydrophobicContact CB-CD1 4.1Å; H253-I257 HydrophobicContact CB-CG1 4.4Å; H253-I257 WeakPolarHBondContact O-CG1 3.34Å; H253-I257 PolarHBondContact O-N 3.4Å; H253-I257 VanDerWaalsContact O-N 3.08Å |
| 254 | M | 94.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | -165.5 | -170.9 | 58.7 | 77 | 0 | 0 | 113.4 | L243 L247 L250 L251 N256 I257 V258 F279 V292 | L243-M254 HydrophobicContact CD1-CE 3.7Å; L247-M254 HydrophobicContact CD1-CE 3.58Å; L250-M254 HydrophobicContact CB-CE 4.08Å; L250-M254 PolarHBondContact O-N 3.28Å; L251-M254 HydrophobicContact CD2-CE 4.48Å; L251-M254 WeakPolarHBondContact O-CB 3.35Å; L251-M254 PolarHBondContact O-N 3.29Å; M254-N256 PolarHBondContact O-N 2.92Å; M254-I257 PolarHBondContact O-N 3.02Å; M254-V258 HydrophobicContact CG-CG2 4.27Å; M254-V258 WeakPolarHBondContact O-CG2 3.38Å; M254-V258 PolarHBondContact O-N 3.34Å; M254-V258 HydrophobicContact SD-CG2 4.28Å; M254-F279 HydrophobicContact SD-CZ 4.03Å; M254-V292 HydrophobicContact CG-CB 4.24Å; M254-V292 HydrophobicContact CG-CG1 3.34Å; M254-V292 HydrophobicContact CG-CG2 3.81Å; M254-V292 HydrophobicContact SD-CG1 4.14Å |
| 255 | H | 94.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 176.7 | 175.9 | 46 | 0 | 0 | 0 | 112.4 | H253 I257 V258 E259 H296 | H253-H255 VanDerWaalsContact C-N 3.31Å; H253-H255 PolarHBondContact O-N 2.76Å; H255-I257 VanDerWaalsContact C-N 3.33Å; H255-I257 PolarHBondContact O-N 3.03Å; H255-V258 PolarHBondContact O-N 3.49Å; H255-E259 IonicContact CE1-OE1 3.17Å; H255-E259 PolarHBondContact CE1-OE1 3.37Å; H255-E259 IonicContact NE2-OE1 3.46Å; H255-E259 PolarHBondContact NE2-OE1 3.18Å; H255-E259 WeakPolarHBondContact O-CG 3.48Å; H255-E259 PolarHBondContact O-N 2.97Å; H255-H296 AromaticContact CE1-NE2 3.55Å; H255-H296 AromaticContact ND1-CE1 3.45Å; H255-H296 PolarHBondContact ND1-CE1 3.46Å; H255-H296 AromaticContact ND1-NE2 3.27Å; H255-H296 PolarHBondContact ND1-NE2 3.35Å |
| 256 | N | 95 | Very high | 96 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69 | -34.3 | 178.8 | -61.8 | -15 | 0 | 0 | 0 | 111.7 | H253 M254 Y260 | H253-N256 PolarHBondContact O-N 2.92Å; M254-N256 PolarHBondContact O-N 2.92Å; N256-Y260 VanDerWaalsContact O-CB 3.31Å; N256-Y260 WeakPolarHBondContact O-CB 3.47Å; N256-Y260 PolarHBondContact O-N 3.34Å |
| 257 | I | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.2 | -64.4 | 169 | 0 | 0 | 0 | 109.7 | F221 L250 H253 M254 H255 E259 Y260 M261 F279 | F221-I257 HydrophobicContact CE1-CD1 4.13Å; F221-I257 HydrophobicContact CE1-CG1 3.98Å; F221-I257 HydrophobicContact CZ-CD1 4.05Å; F221-I257 HydrophobicContact CZ-CG1 4.25Å; L250-I257 HydrophobicContact CB-CD1 3.96Å; L250-I257 HydrophobicContact CD2-CD1 4.02Å; L250-I257 HydrophobicContact CG-CD1 4.39Å; H253-I257 HydrophobicContact CB-CD1 4.1Å; H253-I257 HydrophobicContact CB-CG1 4.4Å; H253-I257 WeakPolarHBondContact O-CG1 3.34Å; H253-I257 PolarHBondContact O-N 3.4Å; H253-I257 VanDerWaalsContact O-N 3.08Å; M254-I257 PolarHBondContact O-N 3.02Å; H255-I257 VanDerWaalsContact C-N 3.33Å; H255-I257 PolarHBondContact O-N 3.03Å; I257-E259 PolarHBondContact O-N 2.67Å; I257-Y260 WeakPolarHBondContact O-CB 3.31Å; I257-Y260 PolarHBondContact O-N 3.05Å; I257-M261 HydrophobicContact CG2-CG 4.19Å; I257-M261 WeakPolarHBondContact O-CB 3.36Å; I257-M261 VanDerWaalsContact O-CG 3.32Å; I257-M261 WeakPolarHBondContact O-CG 3.18Å; I257-M261 PolarHBondContact O-N 3.49Å; I257-F279 HydrophobicContact CG2-CE2 3.66Å; I257-F279 HydrophobicContact CG2-CZ 3.69Å |
| 258 | V | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 111 | M254 H255 Y260 M261 L262 F279 W280 V292 L293 H296 | M254-V258 HydrophobicContact CG-CG2 4.27Å; M254-V258 WeakPolarHBondContact O-CG2 3.38Å; M254-V258 PolarHBondContact O-N 3.34Å; M254-V258 HydrophobicContact SD-CG2 4.28Å; H255-V258 PolarHBondContact O-N 3.49Å; V258-Y260 VanDerWaalsContact C-N 3.32Å; V258-Y260 PolarHBondContact O-N 2.76Å; V258-M261 PolarHBondContact O-N 3.21Å; V258-L262 VanDerWaalsContact O-CB 3.25Å; V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 PolarHBondContact O-N 3.26Å; V258-F279 HydrophobicContact CG2-CE1 4.19Å; V258-F279 HydrophobicContact CG2-CZ 4.47Å; V258-W280 HydrophobicContact CG1-CH2 4.07Å; V258-W280 HydrophobicContact CG1-CZ3 4.1Å; V258-V292 HydrophobicContact CG2-CG1 3.67Å; V258-L293 HydrophobicContact CG1-CD2 4.2Å; V258-L293 HydrophobicContact CG2-CD2 4.36Å; V258-H296 HydrophobicContact CG1-CB 4.07Å |
| 259 | E | 96.3 | Very high | 96.1 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 175.8 | -72.6 | -173 | 160.8 | 0 | 0 | 112.3 | H255 I257 L263 | H255-E259 IonicContact CE1-OE1 3.17Å; H255-E259 PolarHBondContact CE1-OE1 3.37Å; H255-E259 IonicContact NE2-OE1 3.46Å; H255-E259 PolarHBondContact NE2-OE1 3.18Å; H255-E259 WeakPolarHBondContact O-CG 3.48Å; H255-E259 PolarHBondContact O-N 2.97Å; I257-E259 PolarHBondContact O-N 2.67Å; E259-L263 PolarHBondContact O-N 3.48Å |
| 260 | Y | 97.1 | Very high | 96 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 176.1 | 173.2 | -104.4 | 0 | 0 | 0 | 111.5 | A224 V235 L239 N256 I257 V258 L262 L263 R264 | A224-Y260 HydrophobicContact CB-CD2 4.08Å; A224-Y260 HydrophobicContact CB-CE2 3.81Å; A224-Y260 WeakPolarHBondContact O-CE2 3.25Å; V235-Y260 HydrophobicContact CG1-CE1 4.35Å; L239-Y260 HydrophobicContact CD1-CD1 4.09Å; L239-Y260 HydrophobicContact CD1-CE1 4.05Å; N256-Y260 VanDerWaalsContact O-CB 3.31Å; N256-Y260 WeakPolarHBondContact O-CB 3.47Å; N256-Y260 PolarHBondContact O-N 3.34Å; I257-Y260 WeakPolarHBondContact O-CB 3.31Å; I257-Y260 PolarHBondContact O-N 3.05Å; V258-Y260 VanDerWaalsContact C-N 3.32Å; V258-Y260 PolarHBondContact O-N 2.76Å; Y260-L262 VanDerWaalsContact C-N 3.33Å; Y260-L262 PolarHBondContact O-N 2.91Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; Y260-L263 PolarHBondContact O-N 3.26Å; Y260-L263 VanDerWaalsContact O-N 3.16Å; Y260-R264 HydrophobicContact CD1-CG 4.18Å; Y260-R264 HydrophobicContact CD2-CG 4.05Å; Y260-R264 HydrophobicContact CE1-CG 3.72Å; Y260-R264 HydrophobicContact CE2-CG 3.54Å; Y260-R264 HydrophobicContact CG-CG 4.34Å; Y260-R264 WeakPolarHBondContact O-CG 3.37Å; Y260-R264 PolarHBondContact O-N 2.85Å |
| 261 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | -179.9 | -67.5 | -53.5 | -157.1 | 0 | 0 | 111.4 | C236 L239 I257 V258 L263 R264 T265 A276 F279 W280 | C236-M261 HydrophobicContact CB-SD 4.49Å; L239-M261 HydrophobicContact CB-CE 3.33Å; L239-M261 HydrophobicContact CD1-CE 3.62Å; L239-M261 HydrophobicContact CG-CE 4.12Å; I257-M261 HydrophobicContact CG2-CG 4.19Å; I257-M261 WeakPolarHBondContact O-CB 3.36Å; I257-M261 VanDerWaalsContact O-CG 3.32Å; I257-M261 WeakPolarHBondContact O-CG 3.18Å; I257-M261 PolarHBondContact O-N 3.49Å; V258-M261 PolarHBondContact O-N 3.21Å; M261-L263 PolarHBondContact O-N 3Å; M261-R264 CarbonylContact O-C 3.49Å; M261-R264 PolarHBondContact O-N 3.06Å; M261-T265 PolarHBondContact O-N 3.17Å; M261-T265 PolarHBondContact O-OG1 3.31Å; M261-A276 HydrophobicContact SD-CB 4.39Å; M261-F279 HydrophobicContact CB-CB 4.43Å; M261-F279 HydrophobicContact CB-CD1 3.85Å; M261-F279 HydrophobicContact CB-CE1 4.33Å; M261-F279 HydrophobicContact CB-CG 4.14Å; M261-F279 HydrophobicContact CE-CB 4.11Å; M261-F279 HydrophobicContact CE-CD2 3.65Å; M261-F279 HydrophobicContact CE-CE2 4.33Å; M261-F279 HydrophobicContact CE-CG 4.02Å; M261-F279 HydrophobicContact CG-CB 4.06Å; M261-F279 HydrophobicContact CG-CD1 3.74Å; M261-F279 HydrophobicContact CG-CD2 3.9Å; M261-F279 HydrophobicContact CG-CE1 4.13Å; M261-F279 HydrophobicContact CG-CE2 4.27Å; M261-F279 HydrophobicContact CG-CG 3.62Å; M261-F279 HydrophobicContact CG-CZ 4.38Å; M261-F279 HydrophobicContact SD-CB 4.38Å; M261-F279 HydrophobicContact SD-CG 4.44Å; M261-W280 HydrophobicContact CB-CH2 3.81Å; M261-W280 HydrophobicContact CB-CZ2 3.7Å |
| 262 | L | 97.9 | Very high | 96 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 177.2 | -176.8 | 64.8 | 0 | 0 | 0 | 112 | V258 Y260 Q266 W280 Q299 L300 V303 | V258-L262 VanDerWaalsContact O-CB 3.25Å; V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 PolarHBondContact O-N 3.26Å; Y260-L262 VanDerWaalsContact C-N 3.33Å; Y260-L262 PolarHBondContact O-N 2.91Å; L262-Q266 PolarHBondContact O-NE2 3.27Å; L262-W280 HydrophobicContact CB-CH2 4.16Å; L262-W280 HydrophobicContact CB-CZ2 4.07Å; L262-W280 HydrophobicContact CD1-CZ2 4.46Å; L262-Q299 HydrophobicContact CD2-CB 3.85Å; L262-L300 HydrophobicContact CD1-CB 4.2Å; L262-L300 HydrophobicContact CD1-CD1 3.95Å; L262-V303 HydrophobicContact CD1-CB 4.36Å; L262-V303 HydrophobicContact CD1-CG2 4.07Å |
| 263 | L | 96.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 52 Ų | 52 | 52% | 0.518 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 173.7 | -179.9 | 66.5 | 0 | 0 | 0 | 112.1 | E259 Y260 M261 Q266 | E259-L263 PolarHBondContact O-N 3.48Å; Y260-L263 WeakPolarHBondContact O-CB 3.49Å; Y260-L263 PolarHBondContact O-N 3.26Å; Y260-L263 VanDerWaalsContact O-N 3.16Å; M261-L263 PolarHBondContact O-N 3Å; L263-Q266 PolarHBondContact O-N 2.76Å |
| 264 | R | 97.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.1 | -29.6 | 179.8 | -64.2 | -58.6 | 80.5 | 157.5 | -13.4 | 113.3 | Y260 M261 Q266 D267 A273 A276 | Y260-R264 HydrophobicContact CD1-CG 4.18Å; Y260-R264 HydrophobicContact CD2-CG 4.05Å; Y260-R264 HydrophobicContact CE1-CG 3.72Å; Y260-R264 HydrophobicContact CE2-CG 3.54Å; Y260-R264 HydrophobicContact CG-CG 4.34Å; Y260-R264 WeakPolarHBondContact O-CG 3.37Å; Y260-R264 PolarHBondContact O-N 2.85Å; M261-R264 CarbonylContact O-C 3.49Å; M261-R264 PolarHBondContact O-N 3.06Å; R264-Q266 PolarHBondContact O-N 3Å; R264-Q266 VanDerWaalsContact O-N 3.11Å; R264-D267 IonicContact CZ-OD2 2.86Å; R264-D267 VanDerWaalsContact CZ-OD2 3.3Å; R264-D267 IonicContact NE-OD2 3.55Å; R264-D267 PolarHBondContact NE-OD2 3.08Å; R264-D267 IonicContact NH1-OD2 2.68Å; R264-D267 IonicContact NH2-OD2 2.75Å; R264-D267 VanDerWaalsContact O-CB 3.27Å; R264-D267 WeakPolarHBondContact O-CB 3.24Å; R264-D267 PolarHBondContact O-N 3.42Å; R264-A273 WeakPolarHBondContact O-CA 3.39Å; R264-A276 VanDerWaalsContact C-CB 3.48Å; R264-A276 HydrophobicContact CB-CB 3.47Å; R264-A276 VanDerWaalsContact CB-CB 3.47Å |
| 265 | T | 98.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.2 | 170.7 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | M261 A273 A276 C277 W280 V303 | M261-T265 PolarHBondContact O-N 3.17Å; M261-T265 PolarHBondContact O-OG1 3.31Å; T265-A273 WeakPolarHBondContact O-CB 3.48Å; T265-A276 PolarHBondContact OG1-O 2.98Å; T265-C277 HydrophobicContact CG2-CB 3.98Å; T265-W280 PolarHBondContact OG1-NE1 3.01Å; T265-V303 HydrophobicContact CG2-CG1 3.82Å |
| 266 | Q | 97.2 | Very high | 96.4 | Very high | 114 Ų | 114 | 45.7 Ų | 45.7 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 18.2 | 175.4 | -62.6 | 172.5 | 86 | 0 | 0 | 112.7 | L262 L263 R264 V303 | L262-Q266 PolarHBondContact O-NE2 3.27Å; L263-Q266 PolarHBondContact O-N 2.76Å; R264-Q266 PolarHBondContact O-N 3Å; R264-Q266 VanDerWaalsContact O-N 3.11Å; Q266-V303 VanDerWaalsContact CD-CG2 3.43Å; Q266-V303 HydrophobicContact CG-CB 4.39Å; Q266-V303 HydrophobicContact CG-CG1 3.57Å; Q266-V303 HydrophobicContact CG-CG2 3.89Å |
| 267 | D | 96.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | trans | -63.8 | 144 | 178.4 | -140 | -83.8 | 0 | 0 | 0 | 111.1 | R232 R264 D269 V272 A273 | R232-D267 IonicContact CZ-OD1 2.82Å; R232-D267 IonicContact CZ-OD2 3.96Å; R232-D267 IonicContact NH1-OD1 3.34Å; R232-D267 PolarHBondContact NH1-OD1 2.92Å; R232-D267 IonicContact NH1-OD2 3.79Å; R232-D267 PolarHBondContact NH1-OD2 3.4Å; R232-D267 IonicContact NH2-OD1 2.64Å; R264-D267 IonicContact CZ-OD2 2.86Å; R264-D267 VanDerWaalsContact CZ-OD2 3.3Å; R264-D267 IonicContact NE-OD2 3.55Å; R264-D267 PolarHBondContact NE-OD2 3.08Å; R264-D267 IonicContact NH1-OD2 2.68Å; R264-D267 IonicContact NH2-OD2 2.75Å; R264-D267 VanDerWaalsContact O-CB 3.27Å; R264-D267 WeakPolarHBondContact O-CB 3.24Å; R264-D267 PolarHBondContact O-N 3.42Å; D267-D269 PolarHBondContact O-N 2.86Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D267-V272 HydrophobicContact CB-CB 3.97Å; D267-V272 HydrophobicContact CB-CG1 3.85Å; D267-A273 HydrophobicContact CB-CB 4.47Å | ||
| 268 | P | 94.3 | Very high | 96.6 | Very high | 127 Ų | 127 | 43 Ų | 43 | 83% | 0.825 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -66.1 | -20.8 | 171.7 | 26.8 | -37.8 | 0 | 0 | 0 | 113.9 | ||
| 269 | D | 94.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -85.9 | 113.4 | 171 | -170.8 | -65.6 | 0 | 0 | 0 | 109.5 | P229 D267 N271 V272 A273 | P229-D269 HydrophobicContact CB-CB 4.33Å; D267-D269 PolarHBondContact O-N 2.86Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D269-N271 PolarHBondContact O-N 3.47Å; D269-N271 WeakPolarHBondContact OD1-CB 3.37Å; D269-N271 PolarHBondContact OD1-N 2.85Å; D269-N271 PolarHBondContact OD1-ND2 3.08Å; D269-V272 HydrophobicContact CB-CB 4.21Å; D269-V272 HydrophobicContact CB-CG2 3.91Å; D269-V272 PolarHBondContact O-N 2.92Å; D269-V272 VanDerWaalsContact O-N 3.1Å; D269-V272 PolarHBondContact OD1-N 3.4Å; D269-A273 PolarHBondContact O-N 3.44Å |
| 270 | E | 91.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 38.2 Ų | 38.2 | 52% | 0.519 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.4 | -30.7 | -175.7 | -70.1 | -177 | 169.8 | 0 | 0 | 113 | A273 L274 | E270-A273 PolarHBondContact O-N 3.33Å; E270-L274 WeakPolarHBondContact O-CB 3.32Å; E270-L274 PolarHBondContact O-N 2.89Å |
| 271 | N | 93.2 | Very high | 96.6 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71 | -37.5 | 177.9 | -53 | -72.5 | 0 | 0 | 0 | 111.1 | K233 D269 E275 | K233-N271 HydrophobicContact CD-CB 4Å; D269-N271 PolarHBondContact O-N 3.47Å; D269-N271 WeakPolarHBondContact OD1-CB 3.37Å; D269-N271 PolarHBondContact OD1-N 2.85Å; D269-N271 PolarHBondContact OD1-ND2 3.08Å; N271-E275 WeakPolarHBondContact O-CB 3.18Å; N271-E275 WeakPolarHBondContact O-CG 3.24Å; N271-E275 PolarHBondContact O-N 3.41Å; N271-E275 VanDerWaalsContact O-N 3.16Å |
| 272 | V | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 174.1 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | P229 R232 K233 D267 D269 A276 | P229-V272 HydrophobicContact CB-CG2 4.02Å; P229-V272 WeakPolarHBondContact O-CG2 3.44Å; R232-V272 HydrophobicContact CB-CG1 3.99Å; R232-V272 HydrophobicContact CB-CG2 4.32Å; K233-V272 HydrophobicContact CB-CG2 4.19Å; D267-V272 HydrophobicContact CB-CB 3.97Å; D267-V272 HydrophobicContact CB-CG1 3.85Å; D269-V272 HydrophobicContact CB-CB 4.21Å; D269-V272 HydrophobicContact CB-CG2 3.91Å; D269-V272 PolarHBondContact O-N 2.92Å; D269-V272 VanDerWaalsContact O-N 3.1Å; D269-V272 PolarHBondContact OD1-N 3.4Å; V272-A276 VanDerWaalsContact O-CB 3.29Å; V272-A276 WeakPolarHBondContact O-CB 3.23Å; V272-A276 PolarHBondContact O-N 3.27Å |
| 273 | A | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R264 T265 D267 D269 E270 A276 C277 L378 | R264-A273 WeakPolarHBondContact O-CA 3.39Å; T265-A273 WeakPolarHBondContact O-CB 3.48Å; D267-A273 HydrophobicContact CB-CB 4.47Å; D269-A273 PolarHBondContact O-N 3.44Å; E270-A273 PolarHBondContact O-N 3.33Å; A273-A276 PolarHBondContact O-N 3.03Å; A273-C277 VanDerWaalsContact O-CB 3.32Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.36Å; A273-L378 HydrophobicContact CB-CD1 4.25Å; A273-L378 HydrophobicContact CB-CD2 3.87Å |
| 274 | L | 96.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -54.6 | 175.9 | 174.7 | 55.6 | 0 | 0 | 0 | 111.5 | E270 A276 C277 E278 C381 | E270-L274 WeakPolarHBondContact O-CB 3.32Å; E270-L274 PolarHBondContact O-N 2.89Å; L274-A276 PolarHBondContact O-N 2.99Å; L274-C277 WeakPolarHBondContact O-CA 3.43Å; L274-C277 WeakPolarHBondContact O-CB 3.44Å; L274-C277 PolarHBondContact O-N 3.42Å; L274-E278 PolarHBondContact O-N 2.91Å; L274-E278 VanDerWaalsContact O-N 3.09Å; L274-C381 HydrophobicContact CD1-CB 3.64Å |
| 275 | E | 96.8 | Very high | 96 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 15% | 0.15 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -25.2 | -177.7 | -65.3 | -99.3 | -158.7 | 0 | 0 | 112.3 | K233 C236 R237 N271 | K233-E275 HydrophobicContact CD-CG 4.37Å; K233-E275 HydrophobicContact CG-CB 4.22Å; K233-E275 HydrophobicContact CG-CG 3.68Å; C236-E275 HydrophobicContact CB-CB 4.11Å; R237-E275 VanDerWaalsContact CB-OE2 3.23Å; R237-E275 WeakPolarHBondContact CB-OE2 3.39Å; R237-E275 WeakPolarHBondContact CD-OE2 3.26Å; R237-E275 VanDerWaalsContact CG-OE2 3.28Å; R237-E275 WeakPolarHBondContact CG-OE2 3.21Å; N271-E275 WeakPolarHBondContact O-CB 3.18Å; N271-E275 WeakPolarHBondContact O-CG 3.24Å; N271-E275 PolarHBondContact O-N 3.41Å; N271-E275 VanDerWaalsContact O-N 3.16Å |
| 276 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.4 | -30.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | C236 M261 R264 T265 V272 A273 L274 F279 | C236-A276 HydrophobicContact CB-CB 4.44Å; M261-A276 HydrophobicContact SD-CB 4.39Å; R264-A276 VanDerWaalsContact C-CB 3.48Å; R264-A276 HydrophobicContact CB-CB 3.47Å; R264-A276 VanDerWaalsContact CB-CB 3.47Å; T265-A276 PolarHBondContact OG1-O 2.98Å; V272-A276 VanDerWaalsContact O-CB 3.29Å; V272-A276 WeakPolarHBondContact O-CB 3.23Å; V272-A276 PolarHBondContact O-N 3.27Å; A273-A276 PolarHBondContact O-N 3.03Å; L274-A276 PolarHBondContact O-N 2.99Å; A276-F279 VanDerWaalsContact O-CB 3.26Å; A276-F279 WeakPolarHBondContact O-CB 3.42Å; A276-F279 PolarHBondContact O-N 3.03Å |
| 277 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.1 | -35.5 | 179.3 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | T265 A273 L274 F279 W280 L378 C381 | T265-C277 HydrophobicContact CG2-CB 3.98Å; A273-C277 VanDerWaalsContact O-CB 3.32Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.36Å; L274-C277 WeakPolarHBondContact O-CA 3.43Å; L274-C277 WeakPolarHBondContact O-CB 3.44Å; L274-C277 PolarHBondContact O-N 3.42Å; C277-F279 PolarHBondContact O-N 3.5Å; C277-F279 VanDerWaalsContact O-N 3.08Å; C277-W280 WeakPolarHBondContact O-CB 3.49Å; C277-W280 PolarHBondContact O-N 3.38Å; C277-L378 HydrophobicContact CB-CD1 3.69Å; C277-C381 VanDerWaalsContact C-SG 3.57Å; C277-C381 HydrophobicContact CB-CB 4.44Å |
| 278 | E | 97.1 | Very high | 95.4 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 23% | 0.234 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -27.9 | 175.6 | -70.4 | -173.5 | -176 | 0 | 0 | 112.7 | V240 L274 W280 L281 T282 W376 C381 | V240-E278 HydrophobicContact CG1-CB 4.25Å; V240-E278 HydrophobicContact CG2-CB 4.29Å; L274-E278 PolarHBondContact O-N 2.91Å; L274-E278 VanDerWaalsContact O-N 3.09Å; E278-W280 PolarHBondContact O-N 3.46Å; E278-L281 PolarHBondContact O-N 3.03Å; E278-T282 PolarHBondContact O-N 2.75Å; E278-T282 PolarHBondContact O-OG1 3.07Å; E278-W376 PolarHBondContact OE1-NE1 3.11Å; E278-W376 VanDerWaalsContact OE1-NE1 3.1Å; E278-C381 PolarHBondContact N-SG 2.87Å; E278-C381 VanDerWaalsContact N-SG 3.44Å |
| 279 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.2 | -36.3 | 173.4 | -178.4 | -95.9 | 0 | 0 | 0 | 113.1 | V240 L243 M254 I257 V258 M261 A276 C277 L283 | V240-F279 HydrophobicContact CG2-CB 3.91Å; L243-F279 HydrophobicContact CD1-CE2 4.34Å; L243-F279 HydrophobicContact CD2-CD2 3.96Å; L243-F279 HydrophobicContact CD2-CE2 3.77Å; L243-F279 HydrophobicContact CD2-CZ 4.27Å; M254-F279 HydrophobicContact SD-CZ 4.03Å; I257-F279 HydrophobicContact CG2-CE2 3.66Å; I257-F279 HydrophobicContact CG2-CZ 3.69Å; V258-F279 HydrophobicContact CG2-CE1 4.19Å; V258-F279 HydrophobicContact CG2-CZ 4.47Å; M261-F279 HydrophobicContact CB-CB 4.43Å; M261-F279 HydrophobicContact CB-CD1 3.85Å; M261-F279 HydrophobicContact CB-CE1 4.33Å; M261-F279 HydrophobicContact CB-CG 4.14Å; M261-F279 HydrophobicContact CE-CB 4.11Å; M261-F279 HydrophobicContact CE-CD2 3.65Å; M261-F279 HydrophobicContact CE-CE2 4.33Å; M261-F279 HydrophobicContact CE-CG 4.02Å; M261-F279 HydrophobicContact CG-CB 4.06Å; M261-F279 HydrophobicContact CG-CD1 3.74Å; M261-F279 HydrophobicContact CG-CD2 3.9Å; M261-F279 HydrophobicContact CG-CE1 4.13Å; M261-F279 HydrophobicContact CG-CE2 4.27Å; M261-F279 HydrophobicContact CG-CG 3.62Å; M261-F279 HydrophobicContact CG-CZ 4.38Å; M261-F279 HydrophobicContact SD-CB 4.38Å; M261-F279 HydrophobicContact SD-CG 4.44Å; A276-F279 VanDerWaalsContact O-CB 3.26Å; A276-F279 WeakPolarHBondContact O-CB 3.42Å; A276-F279 PolarHBondContact O-N 3.03Å; C277-F279 PolarHBondContact O-N 3.5Å; C277-F279 VanDerWaalsContact O-N 3.08Å; F279-L283 HydrophobicContact CD1-CD2 4.5Å; F279-L283 HydrophobicContact CE1-CB 4.47Å; F279-L283 HydrophobicContact CE1-CD2 3.73Å; F279-L283 HydrophobicContact CZ-CD2 4.2Å; F279-L283 WeakPolarHBondContact O-CB 3.28Å; F279-L283 PolarHBondContact O-N 2.85Å |
| 280 | W | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.4 | -38.5 | -179.1 | -51.2 | 119.4 | 0 | 0 | 0 | 112 | V258 M261 L262 T265 C277 E278 A284 L293 L300 L304 A385 | V258-W280 HydrophobicContact CG1-CH2 4.07Å; V258-W280 HydrophobicContact CG1-CZ3 4.1Å; M261-W280 HydrophobicContact CB-CH2 3.81Å; M261-W280 HydrophobicContact CB-CZ2 3.7Å; L262-W280 HydrophobicContact CB-CH2 4.16Å; L262-W280 HydrophobicContact CB-CZ2 4.07Å; L262-W280 HydrophobicContact CD1-CZ2 4.46Å; T265-W280 PolarHBondContact OG1-NE1 3.01Å; C277-W280 WeakPolarHBondContact O-CB 3.49Å; C277-W280 PolarHBondContact O-N 3.38Å; E278-W280 PolarHBondContact O-N 3.46Å; W280-A284 WeakPolarHBondContact O-CB 3.4Å; W280-A284 PolarHBondContact O-N 3.45Å; W280-L293 HydrophobicContact CE3-CD2 4.12Å; W280-L293 HydrophobicContact CZ3-CD2 3.78Å; W280-L300 HydrophobicContact CD2-CD1 3.61Å; W280-L300 HydrophobicContact CD2-CD2 3.96Å; W280-L300 HydrophobicContact CD2-CG 4.46Å; W280-L300 VanDerWaalsContact CE2-CD1 3.44Å; W280-L300 HydrophobicContact CE3-CD1 4.12Å; W280-L300 HydrophobicContact CE3-CD2 3.74Å; W280-L300 HydrophobicContact CG-CD1 3.99Å; W280-L300 HydrophobicContact CG-CD2 4.44Å; W280-L300 HydrophobicContact CH2-CD1 4.32Å; W280-L300 HydrophobicContact CZ2-CD1 3.83Å; W280-L300 HydrophobicContact CZ3-CD1 4.45Å; W280-L300 HydrophobicContact CZ3-CD2 4.17Å; W280-L304 HydrophobicContact CG-CD2 4.36Å; W280-A385 HydrophobicContact CB-CB 3.9Å |
| 281 | L | 94.2 | Very high | 95.5 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -56.6 | 176 | -171.6 | 68.4 | 0 | 0 | 0 | 109.7 | E278 L283 A284 E285 W376 A384 A385 V388 | E278-L281 PolarHBondContact O-N 3.03Å; L281-L283 VanDerWaalsContact C-N 3.3Å; L281-L283 PolarHBondContact O-N 3.26Å; L281-A284 WeakPolarHBondContact O-CB 3.47Å; L281-A284 PolarHBondContact O-N 2.88Å; L281-E285 PolarHBondContact O-N 3.47Å; L281-W376 HydrophobicContact CD2-CZ2 4.36Å; L281-A384 HydrophobicContact CD1-CB 3.95Å; L281-A385 HydrophobicContact CB-CB 4.4Å; L281-V388 HydrophobicContact CD1-CB 4.48Å; L281-V388 HydrophobicContact CD1-CG2 3.72Å |
| 282 | T | 95.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 178.5 | -52.8 | 0 | 0 | 0 | 0 | 112.8 | V240 L243 E244 E278 A284 Q286 | V240-T282 HydrophobicContact CG1-CG2 4.48Å; V240-T282 WeakPolarHBondContact CG1-OG1 3.12Å; L243-T282 HydrophobicContact CB-CG2 4.17Å; L243-T282 HydrophobicContact CD2-CG2 3.89Å; L243-T282 HydrophobicContact CG-CG2 4.2Å; E244-T282 HydrophobicContact CG-CG2 3.3Å; E278-T282 PolarHBondContact O-N 2.75Å; E278-T282 PolarHBondContact O-OG1 3.07Å; T282-A284 VanDerWaalsContact C-N 3.34Å; T282-Q286 WeakPolarHBondContact O-CG 3.35Å |
| 283 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.8 | -34.2 | 177.2 | -176.9 | 58.8 | 0 | 0 | 0 | 111.9 | L243 F279 L281 E285 Q286 C289 V292 L293 | L243-L283 HydrophobicContact CD1-CD1 4.17Å; L243-L283 HydrophobicContact CD2-CB 3.7Å; L243-L283 HydrophobicContact CD2-CD1 4.14Å; L243-L283 HydrophobicContact CD2-CG 4.49Å; F279-L283 HydrophobicContact CD1-CD2 4.5Å; F279-L283 HydrophobicContact CE1-CB 4.47Å; F279-L283 HydrophobicContact CE1-CD2 3.73Å; F279-L283 HydrophobicContact CZ-CD2 4.2Å; F279-L283 WeakPolarHBondContact O-CB 3.28Å; F279-L283 PolarHBondContact O-N 2.85Å; L281-L283 VanDerWaalsContact C-N 3.3Å; L281-L283 PolarHBondContact O-N 3.26Å; L283-E285 VanDerWaalsContact C-N 3.27Å; L283-E285 PolarHBondContact O-N 3.24Å; L283-Q286 HydrophobicContact CD1-CB 4.48Å; L283-Q286 WeakPolarHBondContact O-CB 3.49Å; L283-Q286 PolarHBondContact O-N 3.09Å; L283-C289 VanDerWaalsContact O-CB 3.3Å; L283-C289 WeakPolarHBondContact O-CB 3.39Å; L283-V292 HydrophobicContact CD2-CG1 4.03Å; L283-L293 HydrophobicContact CD2-CD1 3.9Å; L283-L293 HydrophobicContact CD2-CD2 3.72Å; L283-L293 HydrophobicContact CD2-CG 3.7Å; L283-L293 HydrophobicContact CG-CD1 4.42Å |
| 284 | A | 95.1 | Very high | 95 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -32.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W280 L281 T282 Q286 V388 L389 V392 | W280-A284 WeakPolarHBondContact O-CB 3.4Å; W280-A284 PolarHBondContact O-N 3.45Å; L281-A284 WeakPolarHBondContact O-CB 3.47Å; L281-A284 PolarHBondContact O-N 2.88Å; T282-A284 VanDerWaalsContact C-N 3.34Å; A284-Q286 PolarHBondContact O-N 3.2Å; A284-V388 HydrophobicContact CB-CB 3.93Å; A284-V388 HydrophobicContact CB-CG1 3.46Å; A284-V388 VanDerWaalsContact CB-CG1 3.46Å; A284-L389 HydrophobicContact CB-CD2 4.06Å; A284-L389 HydrophobicContact CB-CG 4.26Å; A284-V392 HydrophobicContact CB-CG2 4.42Å; A284-V392 VanDerWaalsContact O-CG2 3.28Å; A284-V392 WeakPolarHBondContact O-CG2 3.35Å |
| 285 | E | 91.4 | Very high | 94.8 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 58% | 0.575 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.5 | 173.1 | -64.6 | 167.6 | -167.4 | 0 | 0 | 113.4 | L281 L283 | L281-E285 PolarHBondContact O-N 3.47Å; L283-E285 VanDerWaalsContact C-N 3.27Å; L283-E285 PolarHBondContact O-N 3.24Å |
| 286 | Q | 93.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -79.1 | 139.1 | -179.2 | -57.8 | -56.2 | -48.3 | 0 | 0 | 111.5 | L243 L247 T282 L283 A284 V288 C289 | L243-Q286 HydrophobicContact CG-CG 4.4Å; L247-Q286 HydrophobicContact CD2-CB 4.4Å; L247-Q286 HydrophobicContact CD2-CG 4.43Å; T282-Q286 WeakPolarHBondContact O-CG 3.35Å; L283-Q286 HydrophobicContact CD1-CB 4.48Å; L283-Q286 WeakPolarHBondContact O-CB 3.49Å; L283-Q286 PolarHBondContact O-N 3.09Å; A284-Q286 PolarHBondContact O-N 3.2Å; Q286-V288 HydrophobicContact CB-CG2 4.09Å; Q286-V288 PolarHBondContact O-N 3.35Å; Q286-C289 WeakPolarHBondContact O-CB 3.25Å; Q286-C289 PolarHBondContact O-N 3.12Å |
| 287 | P | 91.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 80% | 0.799 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.3 | -179.4 | 25.3 | -34.8 | 0 | 0 | 0 | 113.5 | C289 | P287-C289 VanDerWaalsContact C-N 3.33Š|
| 288 | V | 94.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | L247 L251 Q286 K290 E291 V292 | L247-V288 HydrophobicContact CD1-CG2 4.19Å; L247-V288 HydrophobicContact CD2-CG1 4.48Å; L247-V288 HydrophobicContact CD2-CG2 3.79Å; L251-V288 HydrophobicContact CD2-CG2 4.34Å; Q286-V288 HydrophobicContact CB-CG2 4.09Å; Q286-V288 PolarHBondContact O-N 3.35Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.98Å; V288-E291 PolarHBondContact O-N 3.33Å; V288-E291 VanDerWaalsContact O-N 3.07Å; V288-V292 HydrophobicContact CB-CG2 4.31Å; V288-V292 HydrophobicContact CG2-CG2 4.14Å; V288-V292 WeakPolarHBondContact O-CG2 3.22Å; V288-V292 PolarHBondContact O-N 3.32Å; V288-V292 VanDerWaalsContact O-N 3.08Å |
| 289 | C | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -46.8 | -53.2 | -174.1 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | L283 Q286 P287 E291 V292 L293 V392 | L283-C289 VanDerWaalsContact O-CB 3.3Å; L283-C289 WeakPolarHBondContact O-CB 3.39Å; Q286-C289 WeakPolarHBondContact O-CB 3.25Å; Q286-C289 PolarHBondContact O-N 3.12Å; P287-C289 VanDerWaalsContact C-N 3.33Å; C289-E291 VanDerWaalsContact C-N 3.34Å; C289-E291 PolarHBondContact O-N 2.86Å; C289-V292 PolarHBondContact O-N 3.07Å; C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 2.95Å; C289-V392 HydrophobicContact CB-CG1 4.31Å |
| 290 | K | 93.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 48.9 Ų | 48.9 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | -178.9 | -72.6 | -168.3 | 176.3 | -175.3 | 0 | 112.7 | V288 V292 C294 V392 F393 | V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.98Å; K290-V292 VanDerWaalsContact C-N 3.32Å; K290-V292 PolarHBondContact O-N 3.11Å; K290-C294 WeakPolarHBondContact O-CB 3.41Å; K290-C294 PolarHBondContact O-N 3.29Å; K290-C294 VanDerWaalsContact O-N 3.11Å; K290-V392 HydrophobicContact CD-CG1 4.32Å; K290-V392 WeakPolarHBondContact CE-O 3.34Å; K290-V392 HydrophobicContact CG-CG1 3.61Å; K290-V392 PolarHBondContact NZ-O 3.06Å; K290-F393 HydrophobicContact CB-CE1 4.19Å; K290-F393 HydrophobicContact CB-CZ 4.4Å; K290-F393 HydrophobicContact CG-CD1 4.26Å; K290-F393 HydrophobicContact CG-CE1 3.84Å; K290-F393 HydrophobicContact CG-CZ 4.09Å |
| 291 | E | 93.4 | Very high | 94.2 | Very high | 169 Ų | 169 | 48.8 Ų | 48.8 | 79% | 0.79 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | -177.7 | -60.6 | -174.8 | 171.9 | 0 | 0 | 111.5 | V288 C289 | V288-E291 PolarHBondContact O-N 3.33Å; V288-E291 VanDerWaalsContact O-N 3.07Å; C289-E291 VanDerWaalsContact C-N 3.34Å; C289-E291 PolarHBondContact O-N 2.86Å |
| 292 | V | 95.2 | Very high | 94.4 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.5 | -44.5 | -178.3 | 172 | 0 | 0 | 0 | 0 | 112 | M254 V258 L283 V288 C289 K290 H296 | M254-V292 HydrophobicContact CG-CB 4.24Å; M254-V292 HydrophobicContact CG-CG1 3.34Å; M254-V292 HydrophobicContact CG-CG2 3.81Å; M254-V292 HydrophobicContact SD-CG1 4.14Å; V258-V292 HydrophobicContact CG2-CG1 3.67Å; L283-V292 HydrophobicContact CD2-CG1 4.03Å; V288-V292 HydrophobicContact CB-CG2 4.31Å; V288-V292 HydrophobicContact CG2-CG2 4.14Å; V288-V292 WeakPolarHBondContact O-CG2 3.22Å; V288-V292 PolarHBondContact O-N 3.32Å; V288-V292 VanDerWaalsContact O-N 3.08Å; C289-V292 PolarHBondContact O-N 3.07Å; K290-V292 VanDerWaalsContact C-N 3.32Å; K290-V292 PolarHBondContact O-N 3.11Å; V292-H296 PolarHBondContact O-ND1 3.43Å |
| 293 | L | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -92 | -17.6 | -170.2 | -71.1 | -175.9 | 0 | 0 | 0 | 115 | V258 W280 L283 C289 G295 H296 L297 L300 L389 F393 | V258-L293 HydrophobicContact CG1-CD2 4.2Å; V258-L293 HydrophobicContact CG2-CD2 4.36Å; W280-L293 HydrophobicContact CE3-CD2 4.12Å; W280-L293 HydrophobicContact CZ3-CD2 3.78Å; L283-L293 HydrophobicContact CD2-CD1 3.9Å; L283-L293 HydrophobicContact CD2-CD2 3.72Å; L283-L293 HydrophobicContact CD2-CG 3.7Å; L283-L293 HydrophobicContact CG-CD1 4.42Å; C289-L293 WeakPolarHBondContact O-CB 3.33Å; C289-L293 PolarHBondContact O-N 2.95Å; L293-G295 PolarHBondContact O-N 3.08Å; L293-H296 PolarHBondContact O-N 3.06Å; L293-L297 HydrophobicContact CB-CD2 4.4Å; L293-L297 PolarHBondContact O-N 2.7Å; L293-L297 VanDerWaalsContact O-N 3.08Å; L293-L300 HydrophobicContact CD1-CD2 4.18Å; L293-L300 HydrophobicContact CD2-CD2 4.26Å; L293-L389 HydrophobicContact CD1-CD2 3.71Å; L293-F393 HydrophobicContact CB-CE2 4.48Å; L293-F393 HydrophobicContact CB-CZ 4.03Å |
| 294 | C | 88.1 | Confident | 94.6 | Very high | 92 Ų | 92 | 50 Ų | 50 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -37 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | K290 H296 | K290-C294 WeakPolarHBondContact O-CB 3.41Å; K290-C294 PolarHBondContact O-N 3.29Å; K290-C294 VanDerWaalsContact O-N 3.11Å; C294-H296 VanDerWaalsContact C-N 3.34Å; C294-H296 PolarHBondContact O-N 3.01Å |
| 295 | G | 91.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 63% | 0.629 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | L293 | L293-G295 PolarHBondContact O-N 3.08Š|
| 296 | H | 94.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 11% | 0.111 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -11.5 | -171.4 | -57.3 | 91.3 | 0 | 0 | 0 | 113.5 | H255 V258 V292 L293 C294 S298 Q299 L300 | H255-H296 AromaticContact CE1-NE2 3.55Å; H255-H296 AromaticContact ND1-CE1 3.45Å; H255-H296 PolarHBondContact ND1-CE1 3.46Å; H255-H296 AromaticContact ND1-NE2 3.27Å; H255-H296 PolarHBondContact ND1-NE2 3.35Å; V258-H296 HydrophobicContact CG1-CB 4.07Å; V292-H296 PolarHBondContact O-ND1 3.43Å; L293-H296 PolarHBondContact O-N 3.06Å; C294-H296 VanDerWaalsContact C-N 3.34Å; C294-H296 PolarHBondContact O-N 3.01Å; H296-S298 VanDerWaalsContact C-N 3.29Å; H296-S298 PolarHBondContact O-N 3.24Å; H296-Q299 PolarHBondContact O-N 3.01Å; H296-L300 PolarHBondContact O-N 3.14Å |
| 297 | L | 93.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -51.2 | -43.3 | -177.9 | -75 | 179.2 | 0 | 0 | 0 | 113.7 | L293 Q299 L300 I301 F393 L397 | L293-L297 HydrophobicContact CB-CD2 4.4Å; L293-L297 PolarHBondContact O-N 2.7Å; L293-L297 VanDerWaalsContact O-N 3.08Å; L297-Q299 PolarHBondContact O-N 3.28Å; L297-L300 PolarHBondContact O-N 2.65Å; L297-I301 HydrophobicContact CD2-CD1 4.4Å; L297-I301 HydrophobicContact CD2-CG1 4.43Å; L297-I301 WeakPolarHBondContact O-CB 3.32Å; L297-I301 VanDerWaalsContact O-CG1 3.28Å; L297-I301 WeakPolarHBondContact O-CG1 3.36Å; L297-I301 PolarHBondContact O-N 3.42Å; L297-F393 HydrophobicContact CD1-CD1 3.75Å; L297-F393 HydrophobicContact CD1-CE1 3.61Å; L297-F393 HydrophobicContact CD1-CE2 4.4Å; L297-F393 HydrophobicContact CD1-CG 4.21Å; L297-F393 HydrophobicContact CD1-CZ 3.95Å; L297-F393 HydrophobicContact CD2-CD2 4.28Å; L297-F393 HydrophobicContact CD2-CE2 3.92Å; L297-F393 HydrophobicContact CD2-CZ 4.04Å; L297-F393 HydrophobicContact CG-CE1 4.41Å; L297-F393 HydrophobicContact CG-CZ 4.29Å; L297-L397 HydrophobicContact CD2-CD1 4.48Å |
| 298 | S | 94.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -20.5 | -179.4 | 60.7 | 0 | 0 | 0 | 0 | 114 | H296 P302 | H296-S298 VanDerWaalsContact C-N 3.29Å; H296-S298 PolarHBondContact O-N 3.24Å; S298-P302 WeakPolarHBondContact O-CD 3.26Å |
| 299 | Q | 96.5 | Very high | 95.5 | Very high | 113 Ų | 113 | 43.6 Ų | 43.6 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -99.8 | -39.9 | 176.8 | -57.9 | 179.5 | 17.1 | 0 | 0 | 111.6 | L262 H296 L297 P302 V303 | L262-Q299 HydrophobicContact CD2-CB 3.85Å; H296-Q299 PolarHBondContact O-N 3.01Å; L297-Q299 PolarHBondContact O-N 3.28Å; Q299-P302 WeakPolarHBondContact O-CD 3.44Å; Q299-V303 WeakPolarHBondContact O-CG2 3.28Å |
| 300 | L | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | -178.9 | 176.8 | 59.5 | 0 | 0 | 0 | 112.4 | L262 W280 L293 H296 L297 V303 L304 L389 | L262-L300 HydrophobicContact CD1-CB 4.2Å; L262-L300 HydrophobicContact CD1-CD1 3.95Å; W280-L300 HydrophobicContact CD2-CD1 3.61Å; W280-L300 HydrophobicContact CD2-CD2 3.96Å; W280-L300 HydrophobicContact CD2-CG 4.46Å; W280-L300 VanDerWaalsContact CE2-CD1 3.44Å; W280-L300 HydrophobicContact CE3-CD1 4.12Å; W280-L300 HydrophobicContact CE3-CD2 3.74Å; W280-L300 HydrophobicContact CG-CD1 3.99Å; W280-L300 HydrophobicContact CG-CD2 4.44Å; W280-L300 HydrophobicContact CH2-CD1 4.32Å; W280-L300 HydrophobicContact CZ2-CD1 3.83Å; W280-L300 HydrophobicContact CZ3-CD1 4.45Å; W280-L300 HydrophobicContact CZ3-CD2 4.17Å; L293-L300 HydrophobicContact CD1-CD2 4.18Å; L293-L300 HydrophobicContact CD2-CD2 4.26Å; H296-L300 PolarHBondContact O-N 3.14Å; L297-L300 PolarHBondContact O-N 2.65Å; L300-V303 WeakPolarHBondContact O-CA 3.47Å; L300-V303 WeakPolarHBondContact O-CB 3.24Å; L300-V303 PolarHBondContact O-N 3.4Å; L300-L304 HydrophobicContact CD1-CD1 4.13Å; L300-L304 HydrophobicContact CD1-CD2 4.15Å; L300-L304 HydrophobicContact CD1-CG 3.87Å; L300-L304 HydrophobicContact CD2-CD1 4.47Å; L300-L304 HydrophobicContact CG-CD1 4.01Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 PolarHBondContact O-N 3.04Å; L300-L389 HydrophobicContact CD2-CD1 4.15Å |
| 301 | I | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | -173.2 | -63.4 | -55.1 | 0 | 0 | 0 | 112.9 | L297 V303 L304 V305 L386 L389 L397 H400 I401 L404 | L297-I301 HydrophobicContact CD2-CD1 4.4Å; L297-I301 HydrophobicContact CD2-CG1 4.43Å; L297-I301 WeakPolarHBondContact O-CB 3.32Å; L297-I301 VanDerWaalsContact O-CG1 3.28Å; L297-I301 WeakPolarHBondContact O-CG1 3.36Å; L297-I301 PolarHBondContact O-N 3.42Å; I301-V303 PolarHBondContact O-N 2.79Å; I301-L304 PolarHBondContact O-N 3.28Å; I301-V305 HydrophobicContact CG2-CG2 4.3Å; I301-V305 WeakPolarHBondContact O-CB 3.45Å; I301-V305 VanDerWaalsContact O-CG2 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.39Å; I301-V305 PolarHBondContact O-N 2.84Å; I301-L386 HydrophobicContact CD1-CD1 3.87Å; I301-L389 HydrophobicContact CD1-CD1 4.47Å; I301-L397 HydrophobicContact CD1-CD1 3.6Å; I301-L397 HydrophobicContact CG1-CD1 3.92Å; I301-H400 HydrophobicContact CB-CB 4.3Å; I301-H400 HydrophobicContact CG1-CB 4.33Å; I301-H400 HydrophobicContact CG2-CB 4.24Å; I301-I401 HydrophobicContact CG2-CD1 3.25Å; I301-I401 HydrophobicContact CG2-CG1 3.87Å; I301-L404 HydrophobicContact CG2-CD1 4.17Å |
| 302 | P | 98 | Very high | 94.8 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -31.7 | 172.2 | -25.5 | 33.9 | 0 | 0 | 0 | 114.5 | S298 Q299 N306 L404 | S298-P302 WeakPolarHBondContact O-CD 3.26Å; Q299-P302 WeakPolarHBondContact O-CD 3.44Å; P302-N306 WeakPolarHBondContact O-CB 3.18Å; P302-N306 PolarHBondContact O-N 3.1Å; P302-L404 HydrophobicContact CB-CD1 4.46Å; P302-L404 HydrophobicContact CG-CD1 4.27Å |
| 303 | V | 98.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 11% | 0.109 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -49.4 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L262 T265 Q266 Q299 L300 I301 N306 G307 | L262-V303 HydrophobicContact CD1-CB 4.36Å; L262-V303 HydrophobicContact CD1-CG2 4.07Å; T265-V303 HydrophobicContact CG2-CG1 3.82Å; Q266-V303 VanDerWaalsContact CD-CG2 3.43Å; Q266-V303 HydrophobicContact CG-CB 4.39Å; Q266-V303 HydrophobicContact CG-CG1 3.57Å; Q266-V303 HydrophobicContact CG-CG2 3.89Å; Q299-V303 WeakPolarHBondContact O-CG2 3.28Å; L300-V303 WeakPolarHBondContact O-CA 3.47Å; L300-V303 WeakPolarHBondContact O-CB 3.24Å; L300-V303 PolarHBondContact O-N 3.4Å; I301-V303 PolarHBondContact O-N 2.79Å; V303-N306 PolarHBondContact O-N 3.43Å; V303-G307 PolarHBondContact O-N 3.06Å |
| 304 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 176.3 | -63.8 | -179.5 | 0 | 0 | 0 | 111 | W280 L300 I301 N306 G307 M308 S382 A385 L389 | W280-L304 HydrophobicContact CG-CD2 4.36Å; L300-L304 HydrophobicContact CD1-CD1 4.13Å; L300-L304 HydrophobicContact CD1-CD2 4.15Å; L300-L304 HydrophobicContact CD1-CG 3.87Å; L300-L304 HydrophobicContact CD2-CD1 4.47Å; L300-L304 HydrophobicContact CG-CD1 4.01Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 PolarHBondContact O-N 3.04Å; I301-L304 PolarHBondContact O-N 3.28Å; L304-N306 PolarHBondContact O-N 2.8Å; L304-G307 WeakPolarHBondContact O-CA 3.39Å; L304-G307 PolarHBondContact O-N 3.02Å; L304-M308 VanDerWaalsContact O-CG 3.3Å; L304-M308 WeakPolarHBondContact O-CG 3.42Å; L304-M308 PolarHBondContact O-N 3.14Å; L304-S382 WeakPolarHBondContact O-CB 3.42Å; L304-A385 HydrophobicContact CD1-CB 4.38Å; L304-A385 HydrophobicContact CD2-CB 4.4Å; L304-L389 HydrophobicContact CD1-CD1 3.66Å |
| 305 | V | 98.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.9 | -34.4 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 112.1 | I301 L386 I401 L404 L408 V423 | I301-V305 HydrophobicContact CG2-CG2 4.3Å; I301-V305 WeakPolarHBondContact O-CB 3.45Å; I301-V305 VanDerWaalsContact O-CG2 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.39Å; I301-V305 PolarHBondContact O-N 2.84Å; V305-L386 HydrophobicContact CG2-CD2 4.25Å; V305-I401 HydrophobicContact CG2-CD1 4.02Å; V305-L404 HydrophobicContact CB-CD1 4.28Å; V305-L404 HydrophobicContact CG1-CD1 4.33Å; V305-L404 HydrophobicContact CG2-CD1 4.04Å; V305-L408 HydrophobicContact CG1-CD1 3.56Å; V305-V423 HydrophobicContact CB-CG2 4.4Å; V305-V423 HydrophobicContact CG1-CG2 4.06Å; V305-V423 HydrophobicContact CG2-CG1 4.37Å; V305-V423 HydrophobicContact CG2-CG2 3.95Å |
| 306 | N | 97.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 47 Ų | 47 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.4 | -38.2 | 174.3 | -176 | 74.1 | 0 | 0 | 0 | 112.7 | P302 V303 L304 M308 K309 | P302-N306 WeakPolarHBondContact O-CB 3.18Å; P302-N306 PolarHBondContact O-N 3.1Å; V303-N306 PolarHBondContact O-N 3.43Å; L304-N306 PolarHBondContact O-N 2.8Å; N306-M308 PolarHBondContact O-N 3.45Å; N306-K309 PolarHBondContact O-N 3.23Å; N306-K309 PolarHBondContact OD1-NZ 2.84Å |
| 307 | G | 96.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -23.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V303 L304 K309 R379 | V303-G307 PolarHBondContact O-N 3.06Å; L304-G307 WeakPolarHBondContact O-CA 3.39Å; L304-G307 PolarHBondContact O-N 3.02Å; G307-K309 PolarHBondContact O-N 2.82Å; G307-R379 WeakPolarHBondContact O-CA 3.45Å |
| 308 | M | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.1 | 177.9 | -68.6 | 168.1 | 75 | 0 | 0 | 114.8 | L304 N306 R379 A383 L386 L422 V423 A426 | L304-M308 VanDerWaalsContact O-CG 3.3Å; L304-M308 WeakPolarHBondContact O-CG 3.42Å; L304-M308 PolarHBondContact O-N 3.14Å; N306-M308 PolarHBondContact O-N 3.45Å; M308-R379 WeakPolarHBondContact O-CD 3.42Å; M308-R379 WeakPolarHBondContact O-CG 3.37Å; M308-R379 PolarHBondContact O-NH1 3Å; M308-A383 HydrophobicContact CE-CB 3.78Å; M308-A383 HydrophobicContact CG-CB 4.21Å; M308-A383 HydrophobicContact SD-CB 4.49Å; M308-L386 HydrophobicContact CE-CD2 4.15Å; M308-L386 HydrophobicContact SD-CB 4.41Å; M308-L386 HydrophobicContact SD-CD2 3.68Å; M308-L422 HydrophobicContact CB-CD2 4.11Å; M308-L422 HydrophobicContact CE-CB 4.34Å; M308-L422 HydrophobicContact CE-CD2 3.79Å; M308-L422 HydrophobicContact CE-CG 3.54Å; M308-V423 HydrophobicContact CE-CB 4.24Å; M308-V423 HydrophobicContact CE-CG2 3.5Å; M308-V423 HydrophobicContact SD-CG2 3.61Å; M308-A426 HydrophobicContact CE-CB 4.22Å |
| 309 | K | 95.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -77.3 | 145.2 | 174.7 | -67.5 | 169 | -169.7 | 162.7 | 0 | 110.5 | N306 G307 S311 V415 | N306-K309 PolarHBondContact O-N 3.23Å; N306-K309 PolarHBondContact OD1-NZ 2.84Å; G307-K309 PolarHBondContact O-N 2.82Å; K309-S311 PolarHBondContact O-N 3.1Å; K309-V415 HydrophobicContact CB-CG1 4.26Å |
| 310 | Y | 91.4 | Very high | 88.6 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 137.1 | 169.7 | -77.4 | -64.9 | 0 | 0 | 0 | 111.2 | D314 L318 R379 W414 E418 L456 | Y310-D314 HydrophobicContact CD1-CB 3.81Å; Y310-L318 HydrophobicContact CD1-CD1 3.92Å; Y310-L318 HydrophobicContact CE1-CD1 3.38Å; Y310-R379 VanDerWaalsContact CD2-NH1 3.31Å; Y310-R379 VanDerWaalsContact CZ-NH2 3.29Å; Y310-R379 PolarHBondContact OH-NH2 3.28Å; Y310-W414 HydrophobicContact CD2-CZ3 4.43Å; Y310-E418 HydrophobicContact CE2-CG 4.27Å; Y310-L456 HydrophobicContact CE2-CD1 4.35Å |
| 311 | S | 89.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 160.8 | 168.9 | 75 | 0 | 0 | 0 | 0 | 110.4 | K309 I313 D314 I315 | K309-S311 PolarHBondContact O-N 3.1Å; S311-I313 PolarHBondContact O-N 3.28Å; S311-I313 PolarHBondContact OG-N 2.97Å; S311-D314 WeakPolarHBondContact CB-OD2 3.44Å; S311-D314 PolarHBondContact N-OD2 3.28Å; S311-D314 PolarHBondContact O-N 2.86Å; S311-D314 PolarHBondContact OG-N 2.97Å; S311-D314 PolarHBondContact OG-OD1 3.11Å; S311-D314 PolarHBondContact OG-OD2 2.91Å; S311-I315 VanDerWaalsContact O-CG1 3.32Å; S311-I315 WeakPolarHBondContact O-CG1 3.48Å; S311-I315 PolarHBondContact O-N 2.78Å |
| 312 | E | 86.8 | Confident | 86.2 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.3 | -33.1 | 174.3 | -66.9 | -174 | 173.3 | 0 | 0 | 111.7 | I316 | E312-I316 WeakPolarHBondContact O-CD1 3.41Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.22Å; E312-I316 PolarHBondContact O-N 3.31Å |
| 313 | I | 84.4 | Confident | 85.7 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 178 | -63.5 | 168.2 | 0 | 0 | 0 | 109.7 | S311 I315 I316 L317 | S311-I313 PolarHBondContact O-N 3.28Å; S311-I313 PolarHBondContact OG-N 2.97Å; I313-I315 VanDerWaalsContact C-N 3.34Å; I313-I315 PolarHBondContact O-N 3.49Å; I313-I316 WeakPolarHBondContact O-CB 3.46Å; I313-I316 PolarHBondContact O-N 2.91Å; I313-I316 VanDerWaalsContact O-N 3.14Å; I313-L317 HydrophobicContact CG2-CD1 3.68Å; I313-L317 HydrophobicContact CG2-CG 4.07Å; I313-L317 WeakPolarHBondContact O-CB 3.33Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 3.16Å |
| 314 | D | 82.9 | Confident | 85.1 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.4 | -59.2 | -35.9 | 0 | 0 | 0 | 111.4 | Y310 S311 I316 L317 L318 | Y310-D314 HydrophobicContact CD1-CB 3.81Å; S311-D314 WeakPolarHBondContact CB-OD2 3.44Å; S311-D314 PolarHBondContact N-OD2 3.28Å; S311-D314 PolarHBondContact O-N 2.86Å; S311-D314 PolarHBondContact OG-N 2.97Å; S311-D314 PolarHBondContact OG-OD1 3.11Å; S311-D314 PolarHBondContact OG-OD2 2.91Å; D314-I316 PolarHBondContact O-N 3.32Å; D314-L317 PolarHBondContact O-N 3.3Å; D314-L318 HydrophobicContact CB-CD1 4.41Å; D314-L318 VanDerWaalsContact O-CB 3.25Å; D314-L318 WeakPolarHBondContact O-CB 3.46Å; D314-L318 WeakPolarHBondContact O-CG 3.44Å; D314-L318 PolarHBondContact O-N 2.8Å |
| 315 | I | 85 | Confident | 84.7 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 177.6 | -65.5 | 169.6 | 0 | 0 | 0 | 110.7 | S311 I313 G320 W414 V415 | S311-I315 VanDerWaalsContact O-CG1 3.32Å; S311-I315 WeakPolarHBondContact O-CG1 3.48Å; S311-I315 PolarHBondContact O-N 2.78Å; I313-I315 VanDerWaalsContact C-N 3.34Å; I313-I315 PolarHBondContact O-N 3.49Å; I315-G320 PolarHBondContact O-N 3.49Å; I315-W414 HydrophobicContact CD1-CH2 4.18Å; I315-W414 HydrophobicContact CD1-CZ2 4.06Å; I315-W414 HydrophobicContact CG1-CH2 4.02Å; I315-W414 HydrophobicContact CG1-CZ2 4.24Å; I315-W414 HydrophobicContact CG2-CH2 4.4Å; I315-W414 HydrophobicContact CG2-CZ2 4.1Å; I315-V415 HydrophobicContact CD1-CG2 3.86Å |
| 316 | I | 81.8 | Confident | 84.3 | Confident | 128 Ų | 128 | 67.5 Ų | 67.5 | 66% | 0.656 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71 | -47.2 | 177.4 | -66.6 | 164.6 | 0 | 0 | 0 | 110.8 | E312 I313 D314 K319 | E312-I316 WeakPolarHBondContact O-CD1 3.41Å; E312-I316 VanDerWaalsContact O-CG1 3.25Å; E312-I316 WeakPolarHBondContact O-CG1 3.22Å; E312-I316 PolarHBondContact O-N 3.31Å; I313-I316 WeakPolarHBondContact O-CB 3.46Å; I313-I316 PolarHBondContact O-N 2.91Å; I313-I316 VanDerWaalsContact O-N 3.14Å; D314-I316 PolarHBondContact O-N 3.32Å; I316-K319 WeakPolarHBondContact O-CA 3.31Å; I316-K319 PolarHBondContact O-N 2.91Å |
| 317 | L | 77.3 | Confident | 83.9 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | -176.7 | -79.7 | -177.4 | 0 | 0 | 0 | 112.1 | I313 D314 K319 I373 | I313-L317 HydrophobicContact CG2-CD1 3.68Å; I313-L317 HydrophobicContact CG2-CG 4.07Å; I313-L317 WeakPolarHBondContact O-CB 3.33Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 3.16Å; D314-L317 PolarHBondContact O-N 3.3Å; L317-K319 PolarHBondContact O-N 3.15Å; L317-I373 VanDerWaalsContact C-CG2 3.42Å; L317-I373 HydrophobicContact CB-CG2 3.62Å; L317-I373 VanDerWaalsContact O-CG2 3.3Å; L317-I373 WeakPolarHBondContact O-CG2 3.44Å |
| 318 | L | 73.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.2 | 174.6 | -59.3 | 173.6 | 0 | 0 | 0 | 112.8 | Y310 D314 G320 I373 L456 R498 | Y310-L318 HydrophobicContact CD1-CD1 3.92Å; Y310-L318 HydrophobicContact CE1-CD1 3.38Å; D314-L318 HydrophobicContact CB-CD1 4.41Å; D314-L318 VanDerWaalsContact O-CB 3.25Å; D314-L318 WeakPolarHBondContact O-CB 3.46Å; D314-L318 WeakPolarHBondContact O-CG 3.44Å; D314-L318 PolarHBondContact O-N 2.8Å; L318-G320 PolarHBondContact O-N 2.9Å; L318-I373 HydrophobicContact CD2-CG2 4.1Å; L318-L456 HydrophobicContact CD1-CD2 4.45Å; L318-R498 VanDerWaalsContact CD2-NH2 3.33Å |
| 319 | K | 71 | Confident | 83.2 | Confident | 124 Ų | 124 | 75 Ų | 75 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.7 | -176 | -54.6 | 173.4 | -172.6 | 163.8 | 0 | 110.4 | I316 L317 D321 I322 | I316-K319 WeakPolarHBondContact O-CA 3.31Å; I316-K319 PolarHBondContact O-N 2.91Å; L317-K319 PolarHBondContact O-N 3.15Å; K319-D321 PolarHBondContact O-N 3.36Å; K319-I322 HydrophobicContact CB-CB 4.22Å; K319-I322 HydrophobicContact CB-CD1 3.5Å; K319-I322 HydrophobicContact CB-CG1 3.77Å; K319-I322 HydrophobicContact CD-CD1 3.44Å; K319-I322 VanDerWaalsContact CD-CD1 3.44Å; K319-I322 HydrophobicContact CG-CD1 3.96Å; K319-I322 WeakPolarHBondContact O-CB 3.01Å; K319-I322 PolarHBondContact O-N 3.34Å |
| 320 | G | 61.3 | Low | 82.7 | Confident | 7 Ų | 7 | 73 Ų | 73 | 7% | 0.072 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 0.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I315 L318 K454 | I315-G320 PolarHBondContact O-N 3.49Å; L318-G320 PolarHBondContact O-N 2.9Å; G320-K454 PolarHBondContact O-NZ 3.23Å |
| 321 | D | 66.3 | Low | 82.2 | Confident | 131 Ų | 131 | 75.5 Ų | 75.5 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -4.1 | 169.1 | -74.4 | -33.4 | 0 | 0 | 0 | 113.9 | K319 E323 K454 | K319-D321 PolarHBondContact O-N 3.36Å; D321-E323 PolarHBondContact O-N 3.07Å; D321-K454 IonicContact OD1-NZ 2.61Å; D321-K454 PolarHBondContact OD1-NZ 2.86Å |
| 322 | I | 80.1 | Confident | 81.4 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | trans | -84.3 | 105.9 | 174.1 | -62.6 | -173.3 | 0 | 0 | 0 | 109.1 | K319 D325 N496 | K319-I322 HydrophobicContact CB-CB 4.22Å; K319-I322 HydrophobicContact CB-CD1 3.5Å; K319-I322 HydrophobicContact CB-CG1 3.77Å; K319-I322 HydrophobicContact CD-CD1 3.44Å; K319-I322 VanDerWaalsContact CD-CD1 3.44Å; K319-I322 HydrophobicContact CG-CD1 3.96Å; K319-I322 WeakPolarHBondContact O-CB 3.01Å; K319-I322 PolarHBondContact O-N 3.34Å; I322-D325 HydrophobicContact CG2-CB 3.84Å; I322-N496 PolarHBondContact O-ND2 3.03Å | ||
| 323 | E | 86.1 | Confident | 80.6 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 22% | 0.22 | 43% | 0.433 | C | S | . | . | trans | -92.6 | -12.6 | 174 | -66.2 | -62.8 | 146.6 | 0 | 0 | 113 | D321 K453 K454 A455 R458 S495 | D321-E323 PolarHBondContact O-N 3.07Å; E323-K453 VanDerWaalsContact OE2-O 3.04Å; E323-K454 WeakPolarHBondContact OE1-CA 3.23Å; E323-A455 PolarHBondContact OE1-N 2.85Å; E323-A455 WeakPolarHBondContact OE2-CB 3.25Å; E323-A455 PolarHBondContact OE2-N 2.96Å; E323-R458 IonicContact OE2-CZ 3.33Å; E323-R458 IonicContact OE2-NH1 2.61Å; E323-R458 PolarHBondContact OE2-NH1 3.38Å; E323-R458 IonicContact OE2-NH2 2.99Å; E323-R458 PolarHBondContact OE2-NH2 3.14Å; E323-S495 PolarHBondContact O-OG 3.14Å | ||
| 324 | E | 87.3 | Confident | 79.9 | Confident | 152 Ų | 152 | 80.7 Ų | 80.7 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | trans | -139.7 | 108.6 | -175.4 | -59.8 | -176.3 | -173.5 | 0 | 0 | 110.9 | S495 | E324-S495 WeakPolarHBondContact CA-O 3.38Š| ||
| 325 | D | 90.1 | Very high | 79.3 | Confident | 31 Ų | 31 | 81.6 Ų | 81.6 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | trans | -142.7 | 10 | 174.9 | 68.8 | -22.4 | 0 | 0 | 0 | 114.1 | I322 A327 I328 S495 N496 K497 | I322-D325 HydrophobicContact CG2-CB 3.84Å; D325-A327 PolarHBondContact O-N 2.71Å; D325-I328 HydrophobicContact CB-CD1 3.86Å; D325-I328 HydrophobicContact CB-CG1 4.26Å; D325-I328 WeakPolarHBondContact O-CB 3.44Å; D325-I328 PolarHBondContact O-N 3.28Å; D325-S495 PolarHBondContact N-O 3.37Å; D325-N496 VanDerWaalsContact OD1-CA 3.25Å; D325-N496 WeakPolarHBondContact OD1-CA 3.38Å; D325-K497 PolarHBondContact OD1-N 3.01Å; D325-K497 WeakPolarHBondContact OD2-CE 3.48Å | ||
| 326 | E | 88.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.5 | 178.1 | 61.8 | 176.3 | -146.5 | 0 | 0 | 114.8 | S495 K535 Q537 | E326-S495 WeakPolarHBondContact CB-O 3.32Å; E326-S495 PolarHBondContact N-O 2.89Å; E326-S495 VanDerWaalsContact OE2-CA 3.27Å; E326-S495 WeakPolarHBondContact OE2-CA 3.09Å; E326-K535 WeakPolarHBondContact OE2-CE 3.45Å; E326-K535 IonicContact OE2-NZ 3.12Å; E326-K535 PolarHBondContact OE2-NZ 3.01Å; E326-Q537 WeakPolarHBondContact O-CG 3.3Å; E326-Q537 PolarHBondContact O-NE2 3.12Å |
| 327 | A | 89.9 | Confident | 77.3 | Confident | 80 Ų | 80 | 81 Ų | 81 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D325 P329 | D325-A327 PolarHBondContact O-N 2.71Å; A327-P329 WeakPolarHBondContact O-CD 3.44Å |
| 328 | I | 88.9 | Confident | 76.8 | Confident | 95 Ų | 95 | 79.7 Ų | 79.7 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -91.2 | 115 | -178.9 | -55 | -176.8 | 0 | 0 | 0 | 108.2 | D325 K497 | D325-I328 HydrophobicContact CB-CD1 3.86Å; D325-I328 HydrophobicContact CB-CG1 4.26Å; D325-I328 WeakPolarHBondContact O-CB 3.44Å; D325-I328 PolarHBondContact O-N 3.28Å; I328-K497 PolarHBondContact O-NZ 2.91Å |
| 329 | P | 88.4 | Confident | 76.7 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 145.3 | 176.8 | -24 | 34.2 | 0 | 0 | 0 | 111.8 | A327 | A327-P329 WeakPolarHBondContact O-CD 3.44Š|
| 330 | D | 85.4 | Confident | 76.8 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 145.4 | 174.2 | -57.5 | -47 | 0 | 0 | 0 | 110.5 | I335 K497 Q537 H538 K539 | D330-I335 HydrophobicContact CB-CD1 4.37Å; D330-I335 HydrophobicContact CB-CG1 4.43Å; D330-K497 IonicContact OD1-NZ 2.66Å; D330-K497 PolarHBondContact OD1-NZ 3Å; D330-Q537 WeakPolarHBondContact OD2-CB 3.4Å; D330-H538 PolarHBondContact OD2-N 2.82Å; D330-K539 PolarHBondContact OD2-N 3.12Å |
| 331 | N | 81.1 | Confident | 77.1 | Confident | 97 Ų | 97 | 84.9 Ų | 84.9 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 143.5 | 171.1 | -54.2 | -62.6 | 0 | 0 | 0 | 109 | Q333 D334 | N331-Q333 PolarHBondContact O-N 3.02Å; N331-D334 WeakPolarHBondContact CB-OD2 3.36Å; N331-D334 PolarHBondContact ND2-OD2 3.11Å; N331-D334 WeakPolarHBondContact O-CB 3.33Å; N331-D334 PolarHBondContact O-N 3.13Å |
| 332 | E | 73.7 | Confident | 76.9 | Confident | 180 Ų | 180 | 79.4 Ų | 79.4 | 84% | 0.841 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.8 | 176.2 | -67.4 | 177.5 | 179.7 | 0 | 0 | 113.3 | ||
| 333 | Q | 69.6 | Low | 76.8 | Confident | 173 Ų | 173 | 80.3 Ų | 80.3 | 81% | 0.808 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17 | 177.1 | -63.5 | 177.7 | 0.1 | 0 | 0 | 113.4 | N331 | N331-Q333 PolarHBondContact O-N 3.02Š|
| 334 | D | 68.8 | Low | 76.3 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 23% | 0.225 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -91.6 | -5.4 | 178.7 | -55.6 | -26.1 | 0 | 0 | 0 | 111.3 | N331 | N331-D334 WeakPolarHBondContact CB-OD2 3.36Å; N331-D334 PolarHBondContact ND2-OD2 3.11Å; N331-D334 WeakPolarHBondContact O-CB 3.33Å; N331-D334 PolarHBondContact O-N 3.13Å |
| 335 | I | 70.1 | Confident | 75.8 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -96.7 | 114.1 | 179.9 | -61.8 | 162.1 | 0 | 0 | 0 | 108 | D330 H538 | D330-I335 HydrophobicContact CB-CD1 4.37Å; D330-I335 HydrophobicContact CB-CG1 4.43Å; I335-H538 HydrophobicContact CD1-CB 4.3Å; I335-H538 WeakPolarHBondContact CD1-CD2 3.33Å; I335-H538 WeakPolarHBondContact CD1-NE2 3.29Å; I335-H538 WeakPolarHBondContact CG2-NE2 3.28Å |
| 336 | R | 65.1 | Low | 75.3 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | trans | -78 | 148.8 | -176.2 | -62.2 | -161.5 | -157.1 | 149.5 | 24.4 | 112.6 | R338 D367 D368 D370 | R336-R338 PolarHBondContact O-N 3.49Å; R336-R338 VanDerWaalsContact O-N 3.07Å; R336-D367 PolarHBondContact NH1-O 3.38Å; R336-D368 VanDerWaalsContact CZ-O 3.29Å; R336-D368 VanDerWaalsContact NH1-CA 3.26Å; R336-D368 PolarHBondContact NH1-O 3.39Å; R336-D368 VanDerWaalsContact NH1-O 3.08Å; R336-D368 PolarHBondContact NH2-O 3.02Å; R336-D370 VanDerWaalsContact CZ-CA 3.44Å; R336-D370 VanDerWaalsContact CZ-O 3.25Å; R336-D370 PolarHBondContact NE-O 3.2Å | ||
| 337 | P | 60.3 | Low | 74.9 | Confident | 94 Ų | 94 | 73 Ų | 73 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | trans | -61.8 | 111.3 | 166.1 | -16 | 29.9 | 0 | 0 | 0 | 109.4 | F339 | P337-F339 HydrophobicContact CB-CE2 4.19Å; P337-F339 HydrophobicContact CB-CZ 4.27Å | ||
| 338 | R | 66 | Low | 73.9 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | trans | -89 | 145 | 167.3 | -76.8 | -172.4 | 164.8 | -164.7 | -7.3 | 110.2 | R336 D546 F587 | R336-R338 PolarHBondContact O-N 3.49Å; R336-R338 VanDerWaalsContact O-N 3.07Å; R338-D546 IonicContact CZ-OD2 3.52Å; R338-D546 IonicContact NH1-OD1 2.67Å; R338-D546 IonicContact NH1-OD2 3.59Å; R338-D546 PolarHBondContact NH1-OD2 3.19Å; R338-D546 IonicContact NH2-OD2 3.43Å; R338-F587 WeakPolarHBondContact O-CD2 3.24Å; R338-F587 WeakPolarHBondContact O-CE2 3.44Å | ||
| 339 | F | 73.3 | Confident | 72.6 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 61% | 0.614 | 36% | 0.364 | S | S | * | . | trans | -120.9 | 144.9 | 174.3 | -59 | -85.3 | 0 | 0 | 0 | 108.1 | P337 D642 | P337-F339 HydrophobicContact CB-CE2 4.19Å; P337-F339 HydrophobicContact CB-CZ 4.27Å; F339-D642 WeakPolarHBondContact CA-OD2 3.41Å; F339-D642 WeakPolarHBondContact CB-OD2 3.44Å; F339-D642 VanDerWaalsContact CD1-OD2 3.32Å; F339-D642 WeakPolarHBondContact CD1-OD2 3.26Å | ||
| 340 | H | 73 | Confident | 70.5 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 6% | 0.06 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 134.1 | -178.3 | 170.8 | 62.1 | 0 | 0 | 0 | 110.8 | F587 E591 D642 I645 V646 D649 | H340-F587 HydrophobicContact CB-CB 4.33Å; H340-F587 HydrophobicContact CB-CD2 4.48Å; H340-F587 HydrophobicContact CB-CG 4.26Å; H340-E591 IonicContact CE1-OE1 2.82Å; H340-E591 PolarHBondContact CE1-OE1 2.99Å; H340-E591 IonicContact CG-OE1 2.65Å; H340-E591 VanDerWaalsContact ND1-CD 3.33Å; H340-E591 WeakPolarHBondContact ND1-CG 3.45Å; H340-E591 IonicContact ND1-OE1 3.87Å; H340-E591 PolarHBondContact ND1-OE1 3.18Å; H340-D642 HydrophobicContact CB-CB 4.16Å; H340-D642 PolarHBondContact N-OD2 2.86Å; H340-I645 WeakPolarHBondContact CD2-CG2 3.36Å; H340-I645 WeakPolarHBondContact NE2-CG2 3.25Å; H340-V646 HydrophobicContact CB-CB 4.3Å; H340-V646 VanDerWaalsContact CD2-CA 3.48Å; H340-V646 WeakPolarHBondContact CD2-CA 3.47Å; H340-V646 PolarHBondContact CD2-N 3.31Å; H340-V646 VanDerWaalsContact NE2-CA 3.32Å; H340-V646 WeakPolarHBondContact NE2-CA 3.41Å; H340-V646 PolarHBondContact NE2-N 2.96Å; H340-D649 IonicContact CE1-OD2 2.92Å; H340-D649 IonicContact NE2-OD2 2.82Å; H340-D649 PolarHBondContact NE2-OD2 2.99Å |
| 341 | R | 67.3 | Low | 68.4 | Low | 108 Ų | 108 | 76.1 Ų | 76.1 | 41% | 0.408 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 128 | 174.2 | -65.1 | -172.7 | -175.9 | 179 | 7.1 | 110.7 | D361 M364 D365 | R341-D361 PolarHBondContact NH1-O 3.19Å; R341-M364 VanDerWaalsContact NH2-C 3.28Å; R341-M364 PolarHBondContact NH2-O 3.28Å; R341-M364 VanDerWaalsContact NH2-O 3.17Å; R341-D365 IonicContact CZ-OD1 2.79Å; R341-D365 IonicContact NH1-OD1 2.74Å; R341-D365 IonicContact NH2-OD1 3.09Å; R341-D365 PolarHBondContact NH2-OD1 3.17Å |
| 342 | S | 61.2 | Low | 66.3 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 12% | 0.119 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 138.6 | 179.7 | -79.6 | 0 | 0 | 0 | 0 | 113.3 | T344 I645 E685 Q688 S689 | S342-T344 PolarHBondContact O-N 3.08Å; S342-I645 WeakPolarHBondContact OG-CG2 3.26Å; S342-E685 VanDerWaalsContact OG-C 3.31Å; S342-E685 WeakPolarHBondContact OG-CA 3.31Å; S342-E685 VanDerWaalsContact OG-CB 3.27Å; S342-E685 WeakPolarHBondContact OG-CB 3.48Å; S342-E685 PolarHBondContact OG-O 2.72Å; S342-Q688 PolarHBondContact O-NE2 2.95Å; S342-S689 PolarHBondContact OG-OG 3.33Å; S342-S689 VanDerWaalsContact OG-OG 3.1Å |
| 343 | R | 78.3 | Confident | 64.5 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.4 | 176.5 | -172.2 | 179.5 | -177.4 | -166.7 | 0.3 | 113.3 | D649 E656 Q688 D696 N730 | R343-D649 HydrophobicContact CB-CB 4.47Å; R343-D649 WeakPolarHBondContact CB-OD2 3.4Å; R343-D649 PolarHBondContact N-OD2 3.36Å; R343-E656 IonicContact CZ-OE2 2.76Å; R343-E656 VanDerWaalsContact CZ-OE2 3.26Å; R343-E656 IonicContact NH1-OE2 3.5Å; R343-E656 PolarHBondContact NH1-OE2 3.12Å; R343-E656 IonicContact NH2-OE1 3.73Å; R343-E656 IonicContact NH2-OE2 2.81Å; R343-E656 PolarHBondContact NH2-OE2 3.31Å; R343-Q688 VanDerWaalsContact C-NE2 3.26Å; R343-Q688 PolarHBondContact O-NE2 3.12Å; R343-D696 IonicContact NH1-OD2 3.68Å; R343-N730 PolarHBondContact O-ND2 2.87Å |
| 344 | T | 76.9 | Confident | 62.9 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 128.9 | 168.9 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | S342 A346 Q688 | S342-T344 PolarHBondContact O-N 3.08Å; T344-A346 PolarHBondContact O-N 3.08Å; T344-Q688 PolarHBondContact OG1-NE2 3.26Å; T344-Q688 VanDerWaalsContact OG1-NE2 3.1Å |
| 345 | V | 75.6 | Confident | 61.1 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -80.2 | 113.7 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | A692 N729 N730 W733 T769 N773 | V345-A692 HydrophobicContact CG2-CB 4.25Å; V345-N729 PolarHBondContact O-ND2 2.94Å; V345-N730 PolarHBondContact N-OD1 3.24Å; V345-W733 HydrophobicContact CB-CD2 4.38Å; V345-W733 HydrophobicContact CB-CG 4.41Å; V345-W733 HydrophobicContact CG1-CD2 3.82Å; V345-W733 HydrophobicContact CG1-CE3 4.39Å; V345-W733 HydrophobicContact CG1-CG 3.86Å; V345-W733 HydrophobicContact CG1-CZ2 4.42Å; V345-W733 HydrophobicContact CG2-CD2 4.28Å; V345-W733 HydrophobicContact CG2-CE3 4.01Å; V345-W733 HydrophobicContact CG2-CZ3 4.23Å; V345-T769 WeakPolarHBondContact O-CG2 3.46Å; V345-N773 PolarHBondContact O-ND2 2.78Å | ||
| 346 | A | 80.3 | Confident | 59.3 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | trans | -120 | 163.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | T344 T769 | T344-A346 PolarHBondContact O-N 3.08Å; A346-T769 HydrophobicContact CB-CG2 3.68Å | ||
| 347 | Q | 79.4 | Confident | 57.8 | Low | 14 Ų | 14 | 79.9 Ų | 79.9 | 7% | 0.065 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -99 | 154.1 | 176.1 | -65.3 | -66.2 | -52.7 | 0 | 0 | 111 | E772 I776 I807 N810 E812 | Q347-E772 WeakPolarHBondContact CB-OE2 3.46Å; Q347-E772 HydrophobicContact CG-CB 4.28Å; Q347-I776 HydrophobicContact CG-CD1 3.91Å; Q347-I807 HydrophobicContact CB-CG2 4.04Å; Q347-I807 HydrophobicContact CG-CG2 4.41Å; Q347-N810 PolarHBondContact OE1-ND2 3.48Å; Q347-E812 VanDerWaalsContact CD-OE2 3.31Å; Q347-E812 VanDerWaalsContact NE2-CD 3.3Å; Q347-E812 PolarHBondContact NE2-OE2 2.89Å; Q347-E812 PolarHBondContact OE1-OE2 3.31Å |
| 348 | Q | 69.5 | Low | 56.7 | Low | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -91 | 139.6 | 176.6 | -65 | -176.7 | -4.5 | 0 | 0 | 112.1 | R808 | Q348-R808 HydrophobicContact CB-CG 4.43Å; Q348-R808 WeakPolarHBondContact O-CG 3.46Å; Q348-R808 PolarHBondContact O-N 3.09Å; Q348-R808 VanDerWaalsContact OE1-NH1 3.16Å |
| 349 | H | 61.2 | Low | 55.2 | Low | 42 Ų | 42 | 80.7 Ų | 80.7 | 19% | 0.194 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -103.3 | 147.2 | 179 | -65.2 | -57.2 | 0 | 0 | 0 | 114.1 | K768 E772 N806 R808 | H349-K768 PolarHBondContact CD2-NZ 2.98Å; H349-K768 WeakPolarHBondContact CE1-CE 3.5Å; H349-K768 PolarHBondContact CE1-NZ 3.43Å; H349-K768 PolarHBondContact ND1-NZ 2.71Å; H349-K768 VanDerWaalsContact NE2-CE 3.34Å; H349-K768 WeakPolarHBondContact NE2-CE 3.48Å; H349-K768 PolarHBondContact NE2-NZ 3.14Å; H349-E772 IonicContact CE1-OE1 3.26Å; H349-E772 PolarHBondContact CE1-OE1 2.66Å; H349-E772 IonicContact CE1-OE2 3.34Å; H349-E772 PolarHBondContact CE1-OE2 2.93Å; H349-E772 IonicContact NE2-OE1 2.85Å; H349-E772 IonicContact NE2-OE2 2.74Å; H349-N806 PolarHBondContact ND1-O 3.4Å; H349-R808 PolarHBondContact O-NE 3.36Å; H349-R808 PolarHBondContact O-NH2 3.02Å |
| 350 | E | 43.9 | Very low | 53.2 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -95.5 | 105.7 | -177.9 | -138.7 | 176.2 | -118.4 | 0 | 0 | 109.9 | R808 | E350-R808 HydrophobicContact CB-CG 3.86Å; E350-R808 HydrophobicContact CG-CG 3.98Å |
| 351 | G | 42.4 | Very low | 51.5 | Low | 75 Ų | 75 | 84.1 Ų | 84.1 | 77% | 0.773 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 89.3 | 7.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 352 | D | 36.4 | Very low | 50.1 | Low | 124 Ų | 124 | 83.5 Ų | 83.5 | 66% | 0.663 | 46% | 0.457 | S | S | * | . | trans | -100.6 | 121.1 | 165.1 | -71.8 | -27.7 | 0 | 0 | 0 | 108 | ||||
| 353 | G | 35.9 | Very low | 48.6 | Very low | 30 Ų | 30 | 89.7 Ų | 89.7 | 31% | 0.309 | 48% | 0.484 | S | S | . | . | trans | -56.4 | 139.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | E355 | G353-E355 PolarHBondContact O-N 2.99Š| ||
| 354 | I | 35.2 | Very low | 46.2 | Very low | 108 Ų | 108 | 92.4 Ų | 92.4 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -53.8 | 104.5 | -170.4 | -60.4 | 159.2 | 0 | 0 | 0 | 108.6 | D358 | I354-D358 HydrophobicContact CG2-CB 4.28Å; I354-D358 WeakPolarHBondContact CG2-OD2 3.36Å |
| 355 | E | 32.3 | Very low | 44.1 | Very low | 168 Ų | 168 | 93.8 Ų | 93.8 | 79% | 0.785 | 51% | 0.507 | S | S | * | . | trans | -125.3 | 124.2 | 169.5 | -84.4 | -170.1 | -178 | 0 | 0 | 107.6 | G353 | G353-E355 PolarHBondContact O-N 2.99Š| ||
| 356 | E | 31.6 | Very low | 42.2 | Very low | 161 Ų | 161 | 99.8 Ų | 99.8 | 75% | 0.752 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 91.2 | 16.4 | 157.7 | -57 | -172.2 | 171.1 | 0 | 0 | 121.2 | ||
| 357 | D | 34 | Very low | 40.1 | Very low | 82 Ų | 82 | 103.4 Ų | 103.4 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -140.1 | -3.2 | 168.4 | -99.7 | -15.4 | 0 | 0 | 0 | 115.3 | K768 | D357-K768 VanDerWaalsContact OD2-CB 3.26Å; D357-K768 WeakPolarHBondContact OD2-CB 3.48Å; D357-K768 PolarHBondContact OD2-N 3.18Å |
| 358 | D | 36.4 | Very low | 38.3 | Very low | 75 Ų | 75 | 106.6 Ų | 106.6 | 40% | 0.401 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -88.9 | -8.5 | 173.2 | -78.1 | -13.3 | 0 | 0 | 0 | 112.8 | I354 D360 D361 D362 | I354-D358 HydrophobicContact CG2-CB 4.28Å; I354-D358 WeakPolarHBondContact CG2-OD2 3.36Å; D358-D360 PolarHBondContact O-N 2.96Å; D358-D361 PolarHBondContact O-N 2.9Å; D358-D362 PolarHBondContact O-N 2.95Å |
| 359 | D | 34 | Very low | 37 | Very low | 92 Ų | 92 | 104.8 Ų | 104.8 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -28 | 178.8 | -67.1 | -24.7 | 0 | 0 | 0 | 112.6 | E363 | D359-E363 WeakPolarHBondContact O-CB 3.37Å; D359-E363 VanDerWaalsContact O-CG 3.31Å; D359-E363 WeakPolarHBondContact O-CG 3.34Å; D359-E363 PolarHBondContact O-N 3.2Å; D359-E363 VanDerWaalsContact O-N 3.16Å |
| 360 | D | 33.2 | Very low | 36.2 | Very low | 127 Ų | 127 | 107.4 Ų | 107.4 | 68% | 0.679 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -76 | -21.5 | 176.2 | -87.7 | -12.3 | 0 | 0 | 0 | 112.8 | D358 | D358-D360 PolarHBondContact O-N 2.96Å |
| 361 | D | 37.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -95.1 | -28.8 | 176.8 | -84.2 | -27.7 | 0 | 0 | 0 | 111.5 | R341 D358 | R341-D361 PolarHBondContact NH1-O 3.19Å; D358-D361 PolarHBondContact O-N 2.9Å |
| 362 | D | 36.1 | Very low | 36.2 | Very low | 96 Ų | 96 | 104.5 Ų | 104.5 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -81.9 | -22.8 | 176.9 | -74.2 | -17.6 | 0 | 0 | 0 | 113.4 | D358 M364 D365 | D358-D362 PolarHBondContact O-N 2.95Å; D362-M364 PolarHBondContact O-N 3.43Å; D362-D365 PolarHBondContact O-N 3.08Å |
| 363 | E | 29.8 | Very low | 36.6 | Very low | 147 Ų | 147 | 101.1 Ų | 101.1 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.1 | 175.9 | -90.6 | -172.3 | -168.4 | 0 | 0 | 113.6 | D359 | D359-E363 WeakPolarHBondContact O-CB 3.37Å; D359-E363 VanDerWaalsContact O-CG 3.31Å; D359-E363 WeakPolarHBondContact O-CG 3.34Å; D359-E363 PolarHBondContact O-N 3.2Å; D359-E363 VanDerWaalsContact O-N 3.16Å |
| 364 | M | 28.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 100.5 Ų | 100.5 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 2.9 | 174.1 | -79.5 | -159.7 | -108.9 | 0 | 0 | 114.8 | R341 D362 | R341-M364 VanDerWaalsContact NH2-C 3.28Å; R341-M364 PolarHBondContact NH2-O 3.28Å; R341-M364 VanDerWaalsContact NH2-O 3.17Å; D362-M364 PolarHBondContact O-N 3.43Å |
| 365 | D | 33.8 | Very low | 39.1 | Very low | 83 Ų | 83 | 100.5 Ų | 100.5 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4 | 169.6 | -88.1 | 4.4 | 0 | 0 | 0 | 112.9 | R341 D362 D367 D368 | R341-D365 IonicContact CZ-OD1 2.79Å; R341-D365 IonicContact NH1-OD1 2.74Å; R341-D365 IonicContact NH2-OD1 3.09Å; R341-D365 PolarHBondContact NH2-OD1 3.17Å; D362-D365 PolarHBondContact O-N 3.08Å; D365-D367 PolarHBondContact O-N 3.22Å; D365-D368 VanDerWaalsContact O-CB 3.23Å; D365-D368 WeakPolarHBondContact O-CB 3.41Å; D365-D368 PolarHBondContact O-N 3.41Å |
| 366 | D | 35.9 | Very low | 41.6 | Very low | 142 Ų | 142 | 98.2 Ų | 98.2 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -69.6 | -11.5 | 166.7 | -92.2 | -16.4 | 0 | 0 | 0 | 113.1 | D368 | D366-D368 PolarHBondContact O-N 3.46Š|
| 367 | D | 34.7 | Very low | 44.3 | Very low | 136 Ų | 136 | 92 Ų | 92 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -77.8 | -3 | 168.4 | -87.9 | -19.7 | 0 | 0 | 0 | 112.7 | R336 D365 D369 | R336-D367 PolarHBondContact NH1-O 3.38Å; D365-D367 PolarHBondContact O-N 3.22Å; D367-D369 PolarHBondContact O-N 2.76Å; D367-D369 VanDerWaalsContact O-N 3.11Å |
| 368 | D | 41.1 | Very low | 47.2 | Very low | 80 Ų | 80 | 89.8 Ų | 89.8 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -78.6 | 13.1 | 179 | -127.6 | 14 | 0 | 0 | 0 | 113.1 | R336 D365 D366 | R336-D368 VanDerWaalsContact CZ-O 3.29Å; R336-D368 VanDerWaalsContact NH1-CA 3.26Å; R336-D368 PolarHBondContact NH1-O 3.39Å; R336-D368 VanDerWaalsContact NH1-O 3.08Å; R336-D368 PolarHBondContact NH2-O 3.02Å; D365-D368 VanDerWaalsContact O-CB 3.23Å; D365-D368 WeakPolarHBondContact O-CB 3.41Å; D365-D368 PolarHBondContact O-N 3.41Å; D366-D368 PolarHBondContact O-N 3.46Å |
| 369 | D | 42.8 | Very low | 50 | Low | 89 Ų | 89 | 87.1 Ų | 87.1 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -118.8 | 9.9 | -173.9 | -136.5 | 27.9 | 0 | 0 | 0 | 117.2 | D367 D371 S374 K380 | D367-D369 PolarHBondContact O-N 2.76Å; D367-D369 VanDerWaalsContact O-N 3.11Å; D369-D371 PolarHBondContact O-N 2.79Å; D369-S374 WeakPolarHBondContact O-CB 3.45Å; D369-S374 PolarHBondContact O-OG 2.9Å; D369-K380 PolarHBondContact O-NZ 2.65Å; D369-K380 WeakPolarHBondContact OD2-CE 3.36Å; D369-K380 IonicContact OD2-NZ 3.89Å; D369-K380 PolarHBondContact OD2-NZ 3.35Å |
| 370 | D | 45 | Very low | 52.7 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | trans | -86.9 | 57.4 | 170.7 | -148.4 | 20.1 | 0 | 0 | 0 | 114.9 | R336 T372 | R336-D370 VanDerWaalsContact CZ-CA 3.44Å; R336-D370 VanDerWaalsContact CZ-O 3.25Å; R336-D370 PolarHBondContact NE-O 3.2Å; D370-T372 PolarHBondContact O-N 3.04Å | ||
| 371 | D | 46.8 | Very low | 55.6 | Low | 27 Ų | 27 | 78.5 Ų | 78.5 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | trans | -52.3 | 140.1 | 153.5 | -100.9 | -9.1 | 0 | 0 | 0 | 104.5 | D369 I373 S374 R498 K539 | D369-D371 PolarHBondContact O-N 2.79Å; D371-I373 HydrophobicContact CB-CB 4.45Å; D371-I373 PolarHBondContact O-N 3.45Å; D371-S374 PolarHBondContact O-N 3.45Å; D371-R498 IonicContact OD2-NH2 2.91Å; D371-R498 PolarHBondContact OD2-NH2 2.6Å; D371-K539 IonicContact OD1-NZ 3.79Å; D371-K539 PolarHBondContact OD1-NZ 3.47Å; D371-K539 VanDerWaalsContact OD1-NZ 3.1Å | ||
| 372 | T | 39.6 | Very low | 58.5 | Low | 97 Ų | 97 | 73.9 Ų | 73.9 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 9.5 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | D370 | D370-T372 PolarHBondContact O-N 3.04Š|
| 373 | I | 43.8 | Very low | 61.4 | Low | 54 Ų | 54 | 70 Ų | 70 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -3 | -175.7 | -52.4 | -176.8 | 0 | 0 | 0 | 110.1 | L317 L318 D371 | L317-I373 VanDerWaalsContact C-CG2 3.42Å; L317-I373 HydrophobicContact CB-CG2 3.62Å; L317-I373 VanDerWaalsContact O-CG2 3.3Å; L317-I373 WeakPolarHBondContact O-CG2 3.44Å; L318-I373 HydrophobicContact CD2-CG2 4.1Å; D371-I373 HydrophobicContact CB-CB 4.45Å; D371-I373 PolarHBondContact O-N 3.45Å |
| 374 | S | 54.8 | Low | 64.4 | Low | 16 Ų | 16 | 64.5 Ų | 64.5 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -130.1 | 42.6 | -171.4 | -162.2 | 0 | 0 | 0 | 0 | 112.5 | D369 D371 K380 | D369-S374 WeakPolarHBondContact O-CB 3.45Å; D369-S374 PolarHBondContact O-OG 2.9Å; D371-S374 PolarHBondContact O-N 3.45Å; S374-K380 PolarHBondContact O-NZ 3.08Å; S374-K380 VanDerWaalsContact OG-CE 3.24Å; S374-K380 WeakPolarHBondContact OG-CE 3.49Å; S374-K380 PolarHBondContact OG-NZ 3.28Å | ||
| 375 | D | 68.7 | Low | 67.7 | Low | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | trans | -50.4 | 150.3 | 172.7 | -68.6 | -32.4 | 0 | 0 | 0 | 111.5 | N377 | D375-N377 WeakPolarHBondContact O-CB 3.21Å; D375-N377 PolarHBondContact O-N 3.01Å; D375-N377 VanDerWaalsContact O-N 3.11Å; D375-N377 PolarHBondContact O-ND2 2.77Å | ||
| 376 | W | 85.3 | Confident | 70.7 | Confident | 119 Ų | 119 | 54 Ų | 54 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -51.5 | 118.9 | 170.6 | -177.2 | -110.6 | 0 | 0 | 0 | 110.4 | E278 L281 K380 C381 A384 | E278-W376 PolarHBondContact OE1-NE1 3.11Å; E278-W376 VanDerWaalsContact OE1-NE1 3.1Å; L281-W376 HydrophobicContact CD2-CZ2 4.36Å; W376-K380 HydrophobicContact CE3-CB 3.87Å; W376-K380 HydrophobicContact CE3-CD 4.27Å; W376-K380 HydrophobicContact CZ3-CB 3.89Å; W376-C381 HydrophobicContact CH2-CB 4.34Å; W376-C381 HydrophobicContact CZ2-CB 3.63Å; W376-A384 HydrophobicContact CH2-CB 3.99Å |
| 377 | N | 89.5 | Confident | 73.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | trans | -138.7 | 173.3 | -170.1 | 65.7 | 36 | 0 | 0 | 0 | 111.6 | D375 R379 K380 C381 | D375-N377 WeakPolarHBondContact O-CB 3.21Å; D375-N377 PolarHBondContact O-N 3.01Å; D375-N377 VanDerWaalsContact O-N 3.11Å; D375-N377 PolarHBondContact O-ND2 2.77Å; N377-R379 PolarHBondContact O-N 3.02Å; N377-R379 WeakPolarHBondContact OD1-CB 3.26Å; N377-R379 PolarHBondContact OD1-N 2.83Å; N377-R379 VanDerWaalsContact OD1-N 3.1Å; N377-K380 PolarHBondContact O-N 3.07Å; N377-K380 PolarHBondContact OD1-N 2.77Å; N377-C381 WeakPolarHBondContact O-CB 3.49Å; N377-C381 PolarHBondContact O-N 3.32Å | ||
| 378 | L | 94.2 | Very high | 76.5 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -34.2 | -176.1 | -179.6 | 61.5 | 0 | 0 | 0 | 112.6 | A273 C277 S382 | A273-L378 HydrophobicContact CB-CD1 4.25Å; A273-L378 HydrophobicContact CB-CD2 3.87Å; C277-L378 HydrophobicContact CB-CD1 3.69Å; L378-S382 VanDerWaalsContact O-CB 3.23Å; L378-S382 WeakPolarHBondContact O-CB 3.44Å; L378-S382 PolarHBondContact O-N 3.43Å; L378-S382 PolarHBondContact O-OG 3.46Å |
| 379 | R | 94.3 | Very high | 79.1 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -50.7 | 178.5 | 163.6 | 177.8 | 172.9 | 115 | -6.3 | 111.8 | G307 M308 Y310 N377 S382 A383 E418 L422 | G307-R379 WeakPolarHBondContact O-CA 3.45Å; M308-R379 WeakPolarHBondContact O-CD 3.42Å; M308-R379 WeakPolarHBondContact O-CG 3.37Å; M308-R379 PolarHBondContact O-NH1 3Å; Y310-R379 VanDerWaalsContact CD2-NH1 3.31Å; Y310-R379 VanDerWaalsContact CZ-NH2 3.29Å; Y310-R379 PolarHBondContact OH-NH2 3.28Å; N377-R379 PolarHBondContact O-N 3.02Å; N377-R379 WeakPolarHBondContact OD1-CB 3.26Å; N377-R379 PolarHBondContact OD1-N 2.83Å; N377-R379 VanDerWaalsContact OD1-N 3.1Å; R379-S382 PolarHBondContact O-N 2.85Å; R379-A383 WeakPolarHBondContact O-CB 3.45Å; R379-A383 PolarHBondContact O-N 3.48Å; R379-E418 IonicContact CZ-OE1 3.51Å; R379-E418 IonicContact CZ-OE2 3.38Å; R379-E418 IonicContact NH1-OE1 3.87Å; R379-E418 IonicContact NH1-OE2 3.58Å; R379-E418 PolarHBondContact NH1-OE2 3.21Å; R379-E418 IonicContact NH2-OE1 2.77Å; R379-E418 PolarHBondContact NH2-OE1 3.1Å; R379-E418 IonicContact NH2-OE2 2.77Å; R379-E418 PolarHBondContact NH2-OE2 3.16Å; R379-E418 VanDerWaalsContact NH2-OE2 3.14Å; R379-L422 HydrophobicContact CG-CD2 4.49Å |
| 380 | K | 91.1 | Very high | 81.7 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 177.3 | -70.5 | -177.3 | 169 | -168 | 0 | 110.9 | D369 S374 W376 N377 S382 A383 A384 | D369-K380 PolarHBondContact O-NZ 2.65Å; D369-K380 WeakPolarHBondContact OD2-CE 3.36Å; D369-K380 IonicContact OD2-NZ 3.89Å; D369-K380 PolarHBondContact OD2-NZ 3.35Å; S374-K380 PolarHBondContact O-NZ 3.08Å; S374-K380 VanDerWaalsContact OG-CE 3.24Å; S374-K380 WeakPolarHBondContact OG-CE 3.49Å; S374-K380 PolarHBondContact OG-NZ 3.28Å; W376-K380 HydrophobicContact CE3-CB 3.87Å; W376-K380 HydrophobicContact CE3-CD 4.27Å; W376-K380 HydrophobicContact CZ3-CB 3.89Å; N377-K380 PolarHBondContact O-N 3.07Å; N377-K380 PolarHBondContact OD1-N 2.77Å; K380-S382 VanDerWaalsContact C-N 3.32Å; K380-S382 PolarHBondContact O-N 2.88Å; K380-A383 PolarHBondContact O-N 3.5Å; K380-A383 VanDerWaalsContact O-N 3.11Å; K380-A384 WeakPolarHBondContact O-CB 3.44Å; K380-A384 PolarHBondContact O-N 3.03Å |
| 381 | C | 95.3 | Very high | 84 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | L274 C277 E278 W376 N377 A385 | L274-C381 HydrophobicContact CD1-CB 3.64Å; C277-C381 VanDerWaalsContact C-SG 3.57Å; C277-C381 HydrophobicContact CB-CB 4.44Å; E278-C381 PolarHBondContact N-SG 2.87Å; E278-C381 VanDerWaalsContact N-SG 3.44Å; W376-C381 HydrophobicContact CH2-CB 4.34Å; W376-C381 HydrophobicContact CZ2-CB 3.63Å; N377-C381 WeakPolarHBondContact O-CB 3.49Å; N377-C381 PolarHBondContact O-N 3.32Å; C381-A385 VanDerWaalsContact O-CB 3.23Å; C381-A385 WeakPolarHBondContact O-CB 3.24Å; C381-A385 PolarHBondContact O-N 2.89Å |
| 382 | S | 97.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | 176.9 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | L304 L378 R379 K380 L386 | L304-S382 WeakPolarHBondContact O-CB 3.42Å; L378-S382 VanDerWaalsContact O-CB 3.23Å; L378-S382 WeakPolarHBondContact O-CB 3.44Å; L378-S382 PolarHBondContact O-N 3.43Å; L378-S382 PolarHBondContact O-OG 3.46Å; R379-S382 PolarHBondContact O-N 2.85Å; K380-S382 VanDerWaalsContact C-N 3.32Å; K380-S382 PolarHBondContact O-N 2.88Å; S382-L386 WeakPolarHBondContact O-CB 3.14Å; S382-L386 PolarHBondContact O-N 2.94Å; S382-L386 VanDerWaalsContact O-N 3.08Å |
| 383 | A | 95.9 | Very high | 89 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.9 | -48.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M308 R379 K380 A385 L386 D387 L422 | M308-A383 HydrophobicContact CE-CB 3.78Å; M308-A383 HydrophobicContact CG-CB 4.21Å; M308-A383 HydrophobicContact SD-CB 4.49Å; R379-A383 WeakPolarHBondContact O-CB 3.45Å; R379-A383 PolarHBondContact O-N 3.48Å; K380-A383 PolarHBondContact O-N 3.5Å; K380-A383 VanDerWaalsContact O-N 3.11Å; A383-A385 PolarHBondContact O-N 3.25Å; A383-L386 WeakPolarHBondContact O-CB 3.49Å; A383-L386 PolarHBondContact O-N 3.13Å; A383-L386 VanDerWaalsContact O-N 3.1Å; A383-D387 PolarHBondContact O-N 3.43Å; A383-L422 HydrophobicContact CB-CD1 4.45Å; A383-L422 HydrophobicContact CB-CD2 4.24Å |
| 384 | A | 94.3 | Very high | 91.5 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L281 W376 K380 L386 D387 V388 | L281-A384 HydrophobicContact CD1-CB 3.95Å; W376-A384 HydrophobicContact CH2-CB 3.99Å; K380-A384 WeakPolarHBondContact O-CB 3.44Å; K380-A384 PolarHBondContact O-N 3.03Å; A384-L386 VanDerWaalsContact C-N 3.27Å; A384-L386 PolarHBondContact O-N 2.92Å; A384-D387 PolarHBondContact O-N 3.21Å; A384-D387 VanDerWaalsContact O-N 3.17Å; A384-V388 WeakPolarHBondContact O-CG2 3.38Å; A384-V388 PolarHBondContact O-N 2.91Å |
| 385 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | W280 L281 L304 C381 A383 L389 | W280-A385 HydrophobicContact CB-CB 3.9Å; L281-A385 HydrophobicContact CB-CB 4.4Å; L304-A385 HydrophobicContact CD1-CB 4.38Å; L304-A385 HydrophobicContact CD2-CB 4.4Å; C381-A385 VanDerWaalsContact O-CB 3.23Å; C381-A385 WeakPolarHBondContact O-CB 3.24Å; C381-A385 PolarHBondContact O-N 2.89Å; A383-A385 PolarHBondContact O-N 3.25Å; A385-L389 VanDerWaalsContact O-CB 3.28Å; A385-L389 WeakPolarHBondContact O-CB 3.42Å; A385-L389 WeakPolarHBondContact O-CD1 3.47Å; A385-L389 WeakPolarHBondContact O-CG 3.46Å; A385-L389 PolarHBondContact O-N 2.63Å; A385-L389 VanDerWaalsContact O-N 3.07Å |
| 386 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.2 | -36.9 | 177.3 | -176.2 | 62.2 | 0 | 0 | 0 | 112.4 | I301 V305 M308 S382 A383 A384 L389 A390 L397 I401 V423 I427 | I301-L386 HydrophobicContact CD1-CD1 3.87Å; V305-L386 HydrophobicContact CG2-CD2 4.25Å; M308-L386 HydrophobicContact CE-CD2 4.15Å; M308-L386 HydrophobicContact SD-CB 4.41Å; M308-L386 HydrophobicContact SD-CD2 3.68Å; S382-L386 WeakPolarHBondContact O-CB 3.14Å; S382-L386 PolarHBondContact O-N 2.94Å; S382-L386 VanDerWaalsContact O-N 3.08Å; A383-L386 WeakPolarHBondContact O-CB 3.49Å; A383-L386 PolarHBondContact O-N 3.13Å; A383-L386 VanDerWaalsContact O-N 3.1Å; A384-L386 VanDerWaalsContact C-N 3.27Å; A384-L386 PolarHBondContact O-N 2.92Å; L386-L389 PolarHBondContact O-N 3.06Å; L386-A390 WeakPolarHBondContact O-CB 3.15Å; L386-A390 PolarHBondContact O-N 3.47Å; L386-L397 HydrophobicContact CD1-CD2 4.09Å; L386-I401 HydrophobicContact CD1-CD1 4.04Å; L386-I401 HydrophobicContact CD2-CD1 4.21Å; L386-V423 HydrophobicContact CD2-CG1 4.04Å; L386-V423 HydrophobicContact CD2-CG2 4.27Å; L386-I427 HydrophobicContact CD2-CG2 4.18Å; L386-I427 HydrophobicContact CG-CG2 4.16Å |
| 387 | D | 95.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -53.3 | 177.7 | -161.1 | -14.5 | 0 | 0 | 0 | 111.2 | A383 A384 L389 A390 N391 A426 R467 | A383-D387 PolarHBondContact O-N 3.43Å; A384-D387 PolarHBondContact O-N 3.21Å; A384-D387 VanDerWaalsContact O-N 3.17Å; D387-L389 VanDerWaalsContact C-N 3.27Å; D387-L389 PolarHBondContact O-N 3.26Å; D387-A390 WeakPolarHBondContact O-CA 3.47Å; D387-A390 VanDerWaalsContact O-CB 3.28Å; D387-A390 WeakPolarHBondContact O-CB 3.36Å; D387-A390 PolarHBondContact O-N 3.16Å; D387-N391 PolarHBondContact O-N 3.12Å; D387-A426 VanDerWaalsContact CA-O 3.28Å; D387-A426 WeakPolarHBondContact CA-O 3.24Å; D387-A426 WeakPolarHBondContact CB-O 3.49Å; D387-R467 IonicContact OD2-NH2 3.03Å; D387-R467 PolarHBondContact OD2-NH2 3.17Å |
| 388 | V | 95.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 31.8 Ų | 31.8 | 26% | 0.255 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 176.7 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | L281 A284 A384 A390 N391 V392 | L281-V388 HydrophobicContact CD1-CB 4.48Å; L281-V388 HydrophobicContact CD1-CG2 3.72Å; A284-V388 HydrophobicContact CB-CB 3.93Å; A284-V388 HydrophobicContact CB-CG1 3.46Å; A284-V388 VanDerWaalsContact CB-CG1 3.46Å; A384-V388 WeakPolarHBondContact O-CG2 3.38Å; A384-V388 PolarHBondContact O-N 2.91Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.11Å; V388-N391 PolarHBondContact O-N 3.21Å; V388-V392 VanDerWaalsContact O-CG2 3.32Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.32Å |
| 389 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 173.5 | -74.2 | 170.9 | 0 | 0 | 0 | 112.8 | A284 L293 L300 I301 L304 A385 L386 D387 V392 F393 | A284-L389 HydrophobicContact CB-CD2 4.06Å; A284-L389 HydrophobicContact CB-CG 4.26Å; L293-L389 HydrophobicContact CD1-CD2 3.71Å; L300-L389 HydrophobicContact CD2-CD1 4.15Å; I301-L389 HydrophobicContact CD1-CD1 4.47Å; L304-L389 HydrophobicContact CD1-CD1 3.66Å; A385-L389 VanDerWaalsContact O-CB 3.28Å; A385-L389 WeakPolarHBondContact O-CB 3.42Å; A385-L389 WeakPolarHBondContact O-CD1 3.47Å; A385-L389 WeakPolarHBondContact O-CG 3.46Å; A385-L389 PolarHBondContact O-N 2.63Å; A385-L389 VanDerWaalsContact O-N 3.07Å; L386-L389 PolarHBondContact O-N 3.06Å; D387-L389 VanDerWaalsContact C-N 3.27Å; D387-L389 PolarHBondContact O-N 3.26Å; L389-V392 PolarHBondContact O-N 2.89Å; L389-F393 HydrophobicContact CD2-CD2 4.04Å; L389-F393 HydrophobicContact CD2-CE2 3.7Å; L389-F393 WeakPolarHBondContact O-CB 3.36Å; L389-F393 WeakPolarHBondContact O-CD2 3.27Å; L389-F393 PolarHBondContact O-N 3.29Å |
| 390 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L386 D387 V388 R394 L397 I427 G430 | L386-A390 WeakPolarHBondContact O-CB 3.15Å; L386-A390 PolarHBondContact O-N 3.47Å; D387-A390 WeakPolarHBondContact O-CA 3.47Å; D387-A390 VanDerWaalsContact O-CB 3.28Å; D387-A390 WeakPolarHBondContact O-CB 3.36Å; D387-A390 PolarHBondContact O-N 3.16Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.11Å; A390-R394 WeakPolarHBondContact O-CA 3.18Å; A390-R394 PolarHBondContact O-N 3.1Å; A390-L397 HydrophobicContact CB-CD2 3.91Å; A390-I427 HydrophobicContact CB-CB 4.14Å; A390-I427 HydrophobicContact CB-CG2 4.24Å; A390-G430 WeakPolarHBondContact O-CA 3.04Å |
| 391 | N | 94.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 36.9 Ų | 36.9 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.6 | -38 | 175.2 | -86.2 | -37.3 | 0 | 0 | 0 | 113 | D387 V388 R394 E429 G430 | D387-N391 PolarHBondContact O-N 3.12Å; V388-N391 PolarHBondContact O-N 3.21Å; N391-R394 WeakPolarHBondContact O-CG 3.36Å; N391-E429 PolarHBondContact ND2-OE1 3.34Å; N391-G430 WeakPolarHBondContact OD1-CA 3.24Å; N391-G430 PolarHBondContact OD1-N 3.09Å |
| 392 | V | 95.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -60 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | A284 C289 K290 V388 L389 | A284-V392 HydrophobicContact CB-CG2 4.42Å; A284-V392 VanDerWaalsContact O-CG2 3.28Å; A284-V392 WeakPolarHBondContact O-CG2 3.35Å; C289-V392 HydrophobicContact CB-CG1 4.31Å; K290-V392 HydrophobicContact CD-CG1 4.32Å; K290-V392 WeakPolarHBondContact CE-O 3.34Å; K290-V392 HydrophobicContact CG-CG1 3.61Å; K290-V392 PolarHBondContact NZ-O 3.06Å; V388-V392 VanDerWaalsContact O-CG2 3.32Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.32Å; L389-V392 PolarHBondContact O-N 2.89Å |
| 393 | F | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -83.3 | -20 | -170.2 | -72.9 | -82.9 | 0 | 0 | 0 | 114 | K290 L293 L297 L389 D396 L397 | K290-F393 HydrophobicContact CB-CE1 4.19Å; K290-F393 HydrophobicContact CB-CZ 4.4Å; K290-F393 HydrophobicContact CG-CD1 4.26Å; K290-F393 HydrophobicContact CG-CE1 3.84Å; K290-F393 HydrophobicContact CG-CZ 4.09Å; L293-F393 HydrophobicContact CB-CE2 4.48Å; L293-F393 HydrophobicContact CB-CZ 4.03Å; L297-F393 HydrophobicContact CD1-CD1 3.75Å; L297-F393 HydrophobicContact CD1-CE1 3.61Å; L297-F393 HydrophobicContact CD1-CE2 4.4Å; L297-F393 HydrophobicContact CD1-CG 4.21Å; L297-F393 HydrophobicContact CD1-CZ 3.95Å; L297-F393 HydrophobicContact CD2-CD2 4.28Å; L297-F393 HydrophobicContact CD2-CE2 3.92Å; L297-F393 HydrophobicContact CD2-CZ 4.04Å; L297-F393 HydrophobicContact CG-CE1 4.41Å; L297-F393 HydrophobicContact CG-CZ 4.29Å; L389-F393 HydrophobicContact CD2-CD2 4.04Å; L389-F393 HydrophobicContact CD2-CE2 3.7Å; L389-F393 WeakPolarHBondContact O-CB 3.36Å; L389-F393 WeakPolarHBondContact O-CD2 3.27Å; L389-F393 PolarHBondContact O-N 3.29Å; F393-D396 WeakPolarHBondContact O-CB 3.38Å; F393-D396 PolarHBondContact O-N 3.31Å; F393-L397 HydrophobicContact CB-CB 4.16Å; F393-L397 HydrophobicContact CB-CD1 4.44Å |
| 394 | R | 95.6 | Very high | 95.6 | Very high | 164 Ų | 164 | 44 Ų | 44 | 62% | 0.619 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | 49.9 | -141.9 | -175.5 | -54.8 | -170.3 | 176.8 | -153.5 | -3.2 | 111.1 | A390 N391 D396 L397 G430 C431 | A390-R394 WeakPolarHBondContact O-CA 3.18Å; A390-R394 PolarHBondContact O-N 3.1Å; N391-R394 WeakPolarHBondContact O-CG 3.36Å; R394-D396 PolarHBondContact O-N 3.01Å; R394-L397 VanDerWaalsContact O-CB 3.28Å; R394-L397 WeakPolarHBondContact O-CB 3.45Å; R394-L397 PolarHBondContact O-N 3.02Å; R394-G430 VanDerWaalsContact CA-O 3.27Å; R394-G430 WeakPolarHBondContact CA-O 3.3Å; R394-G430 WeakPolarHBondContact CB-O 3.35Å; R394-C431 PolarHBondContact O-SG 3.03Å |
| 395 | D | 95.2 | Very high | 95.7 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -55.7 | -20.6 | -175.9 | -61.5 | -19.5 | 0 | 0 | 0 | 114.9 | L397 L398 G434 | D395-L397 PolarHBondContact O-N 3.01Å; D395-L398 HydrophobicContact CB-CD1 4.33Å; D395-L398 WeakPolarHBondContact O-CB 3.42Å; D395-L398 PolarHBondContact O-N 2.92Å; D395-L398 VanDerWaalsContact O-N 3.16Å; D395-G434 WeakPolarHBondContact OD1-CA 3.33Å; D395-G434 PolarHBondContact OD1-N 3.1Å; D395-G434 PolarHBondContact OD2-N 3.33Å |
| 396 | D | 94.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 50.7 Ų | 50.7 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -62.1 | -27.4 | 175.2 | -69.1 | -27.9 | 0 | 0 | 0 | 111.9 | F393 R394 L398 | F393-D396 WeakPolarHBondContact O-CB 3.38Å; F393-D396 PolarHBondContact O-N 3.31Å; R394-D396 PolarHBondContact O-N 3.01Å; D396-L398 VanDerWaalsContact C-N 3.28Å; D396-L398 PolarHBondContact O-N 3.07Å |
| 397 | L | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -68.2 | -27.8 | 178.4 | -163.4 | 66.2 | 0 | 0 | 0 | 112.6 | L297 I301 L386 A390 F393 R394 D395 L399 H400 I401 | L297-L397 HydrophobicContact CD2-CD1 4.48Å; I301-L397 HydrophobicContact CD1-CD1 3.6Å; I301-L397 HydrophobicContact CG1-CD1 3.92Å; L386-L397 HydrophobicContact CD1-CD2 4.09Å; A390-L397 HydrophobicContact CB-CD2 3.91Å; F393-L397 HydrophobicContact CB-CB 4.16Å; F393-L397 HydrophobicContact CB-CD1 4.44Å; R394-L397 VanDerWaalsContact O-CB 3.28Å; R394-L397 WeakPolarHBondContact O-CB 3.45Å; R394-L397 PolarHBondContact O-N 3.02Å; D395-L397 PolarHBondContact O-N 3.01Å; L397-L399 PolarHBondContact O-N 2.94Å; L397-L399 VanDerWaalsContact O-N 3.17Å; L397-H400 PolarHBondContact O-N 3.13Å; L397-I401 HydrophobicContact CD2-CG1 4.37Å; L397-I401 HydrophobicContact CG-CG1 4.02Å; L397-I401 PolarHBondContact O-N 3.02Å |
| 398 | L | 95.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -27.7 | -174.7 | -64.7 | 179 | 0 | 0 | 0 | 113 | D395 D396 H400 I401 L402 I427 C431 G434 M435 | D395-L398 HydrophobicContact CB-CD1 4.33Å; D395-L398 WeakPolarHBondContact O-CB 3.42Å; D395-L398 PolarHBondContact O-N 2.92Å; D395-L398 VanDerWaalsContact O-N 3.16Å; D396-L398 VanDerWaalsContact C-N 3.28Å; D396-L398 PolarHBondContact O-N 3.07Å; L398-H400 PolarHBondContact O-N 2.88Å; L398-I401 PolarHBondContact O-N 3.23Å; L398-L402 HydrophobicContact CB-CD1 4.07Å; L398-L402 HydrophobicContact CB-CG 4.22Å; L398-L402 WeakPolarHBondContact O-CB 3.09Å; L398-L402 VanDerWaalsContact O-CG 3.28Å; L398-L402 WeakPolarHBondContact O-CG 3.32Å; L398-L402 PolarHBondContact O-N 2.76Å; L398-I427 HydrophobicContact CD2-CD1 4.26Å; L398-C431 HydrophobicContact CD1-CB 4.43Å; L398-C431 HydrophobicContact CD2-CB 3.8Å; L398-C431 HydrophobicContact CG-CB 4.16Å; L398-G434 VanDerWaalsContact CD1-C 3.46Å; L398-M435 HydrophobicContact CD1-CG 4.45Å; L398-M435 HydrophobicContact CD2-CG 3.93Å; L398-M435 HydrophobicContact CD2-SD 3.64Å |
| 399 | L | 94.1 | Very high | 95.4 | Very high | 138 Ų | 138 | 55.2 Ų | 55.2 | 72% | 0.723 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.8 | -30.2 | 174.7 | -67.5 | 174.3 | 0 | 0 | 0 | 112.6 | L397 | L397-L399 PolarHBondContact O-N 2.94Å; L397-L399 VanDerWaalsContact O-N 3.17Å |
| 400 | H | 95.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -95.6 | -31.9 | -179.1 | -58.8 | -62.9 | 0 | 0 | 0 | 112.4 | I301 L397 L398 | I301-H400 HydrophobicContact CB-CB 4.3Å; I301-H400 HydrophobicContact CG1-CB 4.33Å; I301-H400 HydrophobicContact CG2-CB 4.24Å; L397-H400 PolarHBondContact O-N 3.13Å; L398-H400 PolarHBondContact O-N 2.88Å |
| 401 | I | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.9 | -43.1 | -174.3 | -70.6 | -72.7 | 0 | 0 | 0 | 113.4 | I301 V305 L386 L397 L398 P403 L404 L405 V423 I427 | I301-I401 HydrophobicContact CG2-CD1 3.25Å; I301-I401 HydrophobicContact CG2-CG1 3.87Å; V305-I401 HydrophobicContact CG2-CD1 4.02Å; L386-I401 HydrophobicContact CD1-CD1 4.04Å; L386-I401 HydrophobicContact CD2-CD1 4.21Å; L397-I401 HydrophobicContact CD2-CG1 4.37Å; L397-I401 HydrophobicContact CG-CG1 4.02Å; L397-I401 PolarHBondContact O-N 3.02Å; L398-I401 PolarHBondContact O-N 3.23Å; I401-P403 VanDerWaalsContact C-CD 3.46Å; I401-L404 WeakPolarHBondContact O-CB 3.4Å; I401-L404 PolarHBondContact O-N 3.4Å; I401-L405 HydrophobicContact CG2-CD1 3.57Å; I401-L405 HydrophobicContact CG2-CG 3.77Å; I401-L405 PolarHBondContact O-N 2.71Å; I401-V423 HydrophobicContact CD1-CG1 4.2Å; I401-V423 HydrophobicContact CG2-CG1 4.15Å; I401-I427 HydrophobicContact CG2-CD1 3.73Å |
| 402 | L | 94.8 | Very high | 95.3 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.7 | -40.1 | -173.9 | -71.4 | 172.3 | 0 | 0 | 0 | 114.2 | L398 L404 K406 M435 Y438 | L398-L402 HydrophobicContact CB-CD1 4.07Å; L398-L402 HydrophobicContact CB-CG 4.22Å; L398-L402 WeakPolarHBondContact O-CB 3.09Å; L398-L402 VanDerWaalsContact O-CG 3.28Å; L398-L402 WeakPolarHBondContact O-CG 3.32Å; L398-L402 PolarHBondContact O-N 2.76Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 PolarHBondContact O-N 2.81Å; L402-K406 PolarHBondContact O-N 3.26Å; L402-M435 HydrophobicContact CD2-SD 4.09Å; L402-Y438 HydrophobicContact CD1-CE2 3.95Å; L402-Y438 HydrophobicContact CD2-CD2 4.35Å; L402-Y438 HydrophobicContact CD2-CE2 4.15Å |
| 403 | P | 95.3 | Very high | 95.4 | Very high | 79 Ų | 79 | 69 Ų | 69 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 174.8 | -23.1 | 34.8 | 0 | 0 | 0 | 112.8 | I401 | I401-P403 VanDerWaalsContact C-CD 3.46Å |
| 404 | L | 96.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -49.8 | 179.5 | -59.6 | 174.3 | 0 | 0 | 0 | 110.5 | I301 P302 V305 I401 L402 K406 E407 L408 | I301-L404 HydrophobicContact CG2-CD1 4.17Å; P302-L404 HydrophobicContact CB-CD1 4.46Å; P302-L404 HydrophobicContact CG-CD1 4.27Å; V305-L404 HydrophobicContact CB-CD1 4.28Å; V305-L404 HydrophobicContact CG1-CD1 4.33Å; V305-L404 HydrophobicContact CG2-CD1 4.04Å; I401-L404 WeakPolarHBondContact O-CB 3.4Å; I401-L404 PolarHBondContact O-N 3.4Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L404 PolarHBondContact O-N 2.81Å; L404-K406 PolarHBondContact O-N 3.3Å; L404-K406 VanDerWaalsContact O-N 3.15Å; L404-E407 PolarHBondContact O-N 3.13Å; L404-L408 HydrophobicContact CB-CD1 4.33Å; L404-L408 VanDerWaalsContact O-CG 3.26Å; L404-L408 WeakPolarHBondContact O-CG 3.3Å; L404-L408 PolarHBondContact O-N 3.16Å |
| 405 | L | 95.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.8 | -39.4 | 179.7 | -80.6 | 178.4 | 0 | 0 | 0 | 112.8 | I401 E407 L408 L409 G420 V423 L424 I427 | I401-L405 HydrophobicContact CG2-CD1 3.57Å; I401-L405 HydrophobicContact CG2-CG 3.77Å; I401-L405 PolarHBondContact O-N 2.71Å; L405-E407 VanDerWaalsContact C-N 3.27Å; L405-E407 PolarHBondContact O-N 3.01Å; L405-L408 PolarHBondContact O-N 3.2Å; L405-L409 HydrophobicContact CB-CD1 4.21Å; L405-L409 HydrophobicContact CD2-CD1 4.29Å; L405-L409 HydrophobicContact CD2-CG 4.25Å; L405-L409 WeakPolarHBondContact O-CB 3.48Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 3.02Å; L405-G420 VanDerWaalsContact CD2-O 3.26Å; L405-G420 WeakPolarHBondContact CD2-O 3.42Å; L405-V423 HydrophobicContact CD2-CB 3.98Å; L405-V423 HydrophobicContact CD2-CG1 3.69Å; L405-V423 HydrophobicContact CG-CG1 4.2Å; L405-L424 HydrophobicContact CD1-CD1 4.22Å; L405-L424 HydrophobicContact CD2-CB 4.14Å; L405-I427 HydrophobicContact CD1-CD1 4.03Å |
| 406 | K | 92.1 | Very high | 95.5 | Very high | 165 Ų | 165 | 61.4 Ų | 61.4 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -33.9 | 178.7 | -169.6 | 175.9 | -178 | 175.6 | 0 | 113.1 | L402 L404 | L402-K406 PolarHBondContact O-N 3.26Å; L404-K406 PolarHBondContact O-N 3.3Å; L404-K406 VanDerWaalsContact O-N 3.15Å |
| 407 | E | 94.6 | Very high | 95.7 | Very high | 146 Ų | 146 | 58 Ų | 58 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -81.3 | -34.4 | 177.2 | -64.6 | -175.1 | 175.2 | 0 | 0 | 111.8 | L404 L405 | L404-E407 PolarHBondContact O-N 3.13Å; L405-E407 VanDerWaalsContact C-N 3.27Å; L405-E407 PolarHBondContact O-N 3.01Å |
| 408 | L | 97.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.2 | -53.7 | -175.5 | -60.4 | 170.2 | 0 | 0 | 0 | 112.7 | V305 L404 L405 F410 H411 V416 K417 | V305-L408 HydrophobicContact CG1-CD1 3.56Å; L404-L408 HydrophobicContact CB-CD1 4.33Å; L404-L408 VanDerWaalsContact O-CG 3.26Å; L404-L408 WeakPolarHBondContact O-CG 3.3Å; L404-L408 PolarHBondContact O-N 3.16Å; L405-L408 PolarHBondContact O-N 3.2Å; L408-F410 PolarHBondContact O-N 3.22Å; L408-H411 VanDerWaalsContact O-CB 3.28Å; L408-H411 WeakPolarHBondContact O-CB 3.37Å; L408-H411 PolarHBondContact O-N 3.38Å; L408-V416 HydrophobicContact CD2-CG1 3.46Å; L408-V416 VanDerWaalsContact CD2-CG1 3.46Å; L408-K417 WeakPolarHBondContact O-CA 3.27Å |
| 409 | L | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.8 | -169 | -71.2 | 172.4 | 0 | 0 | 0 | 114.2 | L405 K417 G420 I421 L424 L442 | L405-L409 HydrophobicContact CB-CD1 4.21Å; L405-L409 HydrophobicContact CD2-CD1 4.29Å; L405-L409 HydrophobicContact CD2-CG 4.25Å; L405-L409 WeakPolarHBondContact O-CB 3.48Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 3.02Å; L409-K417 WeakPolarHBondContact O-CG 3.29Å; L409-G420 WeakPolarHBondContact CD2-O 3.32Å; L409-I421 HydrophobicContact CD2-CG1 3.91Å; L409-L424 HydrophobicContact CD1-CD2 4.33Å; L409-L424 HydrophobicContact CD2-CD2 4.28Å; L409-L442 HydrophobicContact CD1-CD2 3.81Å |
| 410 | F | 93.8 | Very high | 96.1 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 9.6 | -178 | -55.8 | -78.9 | 0 | 0 | 0 | 113 | L408 H445 | L408-F410 PolarHBondContact O-N 3.22Å; F410-H445 AromaticContact CD1-CE1 3.78Å; F410-H445 AromaticContact CD1-NE2 3.75Å; F410-H445 AromaticContact CE1-CD2 3.69Å; F410-H445 AromaticContact CE1-CE1 3.52Å; F410-H445 AromaticContact CE1-CG 3.87Å; F410-H445 AromaticContact CE1-ND1 3.78Å; F410-H445 AromaticContact CE1-NE2 3.44Å; F410-H445 WeakPolarHBondContact CE1-NE2 3.49Å |
| 411 | H | 96.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | trans | -66 | 140.1 | -178.6 | -163.2 | -91.3 | 0 | 0 | 0 | 111.1 | L408 D413 V416 K417 | L408-H411 VanDerWaalsContact O-CB 3.28Å; L408-H411 WeakPolarHBondContact O-CB 3.37Å; L408-H411 PolarHBondContact O-N 3.38Å; H411-D413 VanDerWaalsContact C-N 3.33Å; H411-D413 VanDerWaalsContact CE1-CB 3.43Å; H411-D413 WeakPolarHBondContact CE1-CB 3.47Å; H411-D413 WeakPolarHBondContact ND1-CB 3.3Å; H411-D413 PolarHBondContact ND1-N 3.2Å; H411-D413 PolarHBondContact O-N 2.94Å; H411-V416 HydrophobicContact CB-CB 3.97Å; H411-V416 HydrophobicContact CB-CG1 3.69Å; H411-K417 VanDerWaalsContact O-CE 3.28Å; H411-K417 WeakPolarHBondContact O-CE 3.43Å | ||
| 412 | P | 95.4 | Very high | 96.4 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 79% | 0.786 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -71.5 | -26.8 | -179.6 | 27.3 | -36 | 0 | 0 | 0 | 113.6 | ||
| 413 | D | 96.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -75.6 | 125.7 | 171.2 | -169.5 | -7.2 | 0 | 0 | 0 | 110 | H411 V415 V416 K417 | H411-D413 VanDerWaalsContact C-N 3.33Å; H411-D413 VanDerWaalsContact CE1-CB 3.43Å; H411-D413 WeakPolarHBondContact CE1-CB 3.47Å; H411-D413 WeakPolarHBondContact ND1-CB 3.3Å; H411-D413 PolarHBondContact ND1-N 3.2Å; H411-D413 PolarHBondContact O-N 2.94Å; D413-V415 VanDerWaalsContact C-N 3.32Å; D413-V415 PolarHBondContact O-N 3.4Å; D413-V415 PolarHBondContact OD1-N 2.87Å; D413-V416 HydrophobicContact CB-CB 4.48Å; D413-V416 HydrophobicContact CB-CG2 4.16Å; D413-V416 PolarHBondContact O-N 2.84Å; D413-K417 PolarHBondContact O-N 3.18Å |
| 414 | W | 95.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -33.2 | -175.4 | 74.9 | -87 | 0 | 0 | 0 | 111.8 | Y310 I315 V416 K417 E418 K454 L456 V457 | Y310-W414 HydrophobicContact CD2-CZ3 4.43Å; I315-W414 HydrophobicContact CD1-CH2 4.18Å; I315-W414 HydrophobicContact CD1-CZ2 4.06Å; I315-W414 HydrophobicContact CG1-CH2 4.02Å; I315-W414 HydrophobicContact CG1-CZ2 4.24Å; I315-W414 HydrophobicContact CG2-CH2 4.4Å; I315-W414 HydrophobicContact CG2-CZ2 4.1Å; W414-V416 VanDerWaalsContact C-N 3.32Å; W414-V416 PolarHBondContact O-N 2.91Å; W414-K417 PolarHBondContact O-N 3.31Å; W414-E418 HydrophobicContact CE3-CB 4.27Å; W414-E418 HydrophobicContact CE3-CG 4.49Å; W414-E418 HydrophobicContact CZ3-CG 4.43Å; W414-E418 WeakPolarHBondContact O-CB 3.45Å; W414-E418 PolarHBondContact O-N 3.02Å; W414-K454 HydrophobicContact CB-CB 4.47Å; W414-K454 HydrophobicContact CB-CG 4.03Å; W414-K454 HydrophobicContact CD2-CG 4.19Å; W414-K454 HydrophobicContact CG-CG 3.86Å; W414-L456 HydrophobicContact CE3-CB 4.48Å; W414-L456 HydrophobicContact CH2-CB 4.45Å; W414-L456 HydrophobicContact CH2-CD1 3.52Å; W414-L456 HydrophobicContact CZ3-CB 3.79Å; W414-L456 HydrophobicContact CZ3-CD1 3.71Å; W414-L456 HydrophobicContact CZ3-CG 4.38Å; W414-V457 HydrophobicContact CB-CG2 3.98Å; W414-V457 HydrophobicContact CE3-CG2 4.11Å |
| 415 | V | 96.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | K309 I315 D413 S419 | K309-V415 HydrophobicContact CB-CG1 4.26Å; I315-V415 HydrophobicContact CD1-CG2 3.86Å; D413-V415 VanDerWaalsContact C-N 3.32Å; D413-V415 PolarHBondContact O-N 3.4Å; D413-V415 PolarHBondContact OD1-N 2.87Å; V415-S419 PolarHBondContact O-N 3.38Å; V415-S419 VanDerWaalsContact O-N 3.12Å; V415-S419 PolarHBondContact O-OG 3.28Å |
| 416 | V | 97.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.7 | -45 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.6 | L408 H411 D413 W414 E418 S419 G420 | L408-V416 HydrophobicContact CD2-CG1 3.46Å; L408-V416 VanDerWaalsContact CD2-CG1 3.46Å; H411-V416 HydrophobicContact CB-CB 3.97Å; H411-V416 HydrophobicContact CB-CG1 3.69Å; D413-V416 HydrophobicContact CB-CB 4.48Å; D413-V416 HydrophobicContact CB-CG2 4.16Å; D413-V416 PolarHBondContact O-N 2.84Å; W414-V416 VanDerWaalsContact C-N 3.32Å; W414-V416 PolarHBondContact O-N 2.91Å; V416-E418 PolarHBondContact O-N 3.36Å; V416-S419 PolarHBondContact O-N 2.94Å; V416-S419 PolarHBondContact O-OG 3.02Å; V416-G420 PolarHBondContact O-N 3.06Å; V416-G420 VanDerWaalsContact O-N 3.11Å |
| 417 | K | 98 | Very high | 96.9 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 176.7 | -173.8 | -167.8 | -59.2 | -179.4 | 0 | 112 | L408 L409 H411 D413 W414 S419 G420 I421 D452 V457 | L408-K417 WeakPolarHBondContact O-CA 3.27Å; L409-K417 WeakPolarHBondContact O-CG 3.29Å; H411-K417 VanDerWaalsContact O-CE 3.28Å; H411-K417 WeakPolarHBondContact O-CE 3.43Å; D413-K417 PolarHBondContact O-N 3.18Å; W414-K417 PolarHBondContact O-N 3.31Å; K417-S419 VanDerWaalsContact C-N 3.35Å; K417-S419 PolarHBondContact O-N 3.09Å; K417-G420 WeakPolarHBondContact O-CA 3.36Å; K417-G420 PolarHBondContact O-N 3.27Å; K417-I421 HydrophobicContact CD-CD1 4.41Å; K417-I421 HydrophobicContact CG-CD1 4.12Å; K417-I421 WeakPolarHBondContact O-CG1 3.15Å; K417-I421 PolarHBondContact O-N 3Å; K417-D452 IonicContact NZ-OD2 3.77Å; K417-D452 PolarHBondContact NZ-OD2 3.49Å; K417-V457 HydrophobicContact CD-CG1 4.34Å |
| 418 | E | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | 179.4 | -170.4 | -67.6 | 145.1 | 0 | 0 | 110.3 | Y310 R379 W414 V416 G420 I421 L422 V457 I460 | Y310-E418 HydrophobicContact CE2-CG 4.27Å; R379-E418 IonicContact CZ-OE1 3.51Å; R379-E418 IonicContact CZ-OE2 3.38Å; R379-E418 IonicContact NH1-OE1 3.87Å; R379-E418 IonicContact NH1-OE2 3.58Å; R379-E418 PolarHBondContact NH1-OE2 3.21Å; R379-E418 IonicContact NH2-OE1 2.77Å; R379-E418 PolarHBondContact NH2-OE1 3.1Å; R379-E418 IonicContact NH2-OE2 2.77Å; R379-E418 PolarHBondContact NH2-OE2 3.16Å; R379-E418 VanDerWaalsContact NH2-OE2 3.14Å; W414-E418 HydrophobicContact CE3-CB 4.27Å; W414-E418 HydrophobicContact CE3-CG 4.49Å; W414-E418 HydrophobicContact CZ3-CG 4.43Å; W414-E418 WeakPolarHBondContact O-CB 3.45Å; W414-E418 PolarHBondContact O-N 3.02Å; V416-E418 PolarHBondContact O-N 3.36Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.17Å; E418-I421 PolarHBondContact O-N 3.36Å; E418-L422 PolarHBondContact O-N 3.11Å; E418-V457 HydrophobicContact CB-CG2 4.17Å; E418-V457 HydrophobicContact CG-CG2 4.48Å; E418-I460 HydrophobicContact CG-CG2 3.76Å; E418-I460 WeakPolarHBondContact OE1-CB 3.34Å; E418-I460 WeakPolarHBondContact OE1-CG2 3.43Å |
| 419 | S | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -33.8 | 175.4 | 69 | 0 | 0 | 0 | 0 | 113.1 | V415 V416 K417 L422 V423 | V415-S419 PolarHBondContact O-N 3.38Å; V415-S419 VanDerWaalsContact O-N 3.12Å; V415-S419 PolarHBondContact O-OG 3.28Å; V416-S419 PolarHBondContact O-N 2.94Å; V416-S419 PolarHBondContact O-OG 3.02Å; K417-S419 VanDerWaalsContact C-N 3.35Å; K417-S419 PolarHBondContact O-N 3.09Å; S419-L422 PolarHBondContact O-N 2.78Å; S419-V423 VanDerWaalsContact O-CG2 3.22Å; S419-V423 WeakPolarHBondContact O-CG2 3.34Å; S419-V423 PolarHBondContact O-N 3.03Å |
| 420 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L405 L409 V416 K417 E418 L424 | L405-G420 VanDerWaalsContact CD2-O 3.26Å; L405-G420 WeakPolarHBondContact CD2-O 3.42Å; L409-G420 WeakPolarHBondContact CD2-O 3.32Å; V416-G420 PolarHBondContact O-N 3.06Å; V416-G420 VanDerWaalsContact O-N 3.11Å; K417-G420 WeakPolarHBondContact O-CA 3.36Å; K417-G420 PolarHBondContact O-N 3.27Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.17Å; G420-L424 PolarHBondContact O-N 3.08Å |
| 421 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.3 | -44.8 | 175.8 | -63.4 | 165.4 | 0 | 0 | 0 | 109.4 | L409 K417 E418 V423 L424 G425 L446 V457 I460 T464 | L409-I421 HydrophobicContact CD2-CG1 3.91Å; K417-I421 HydrophobicContact CD-CD1 4.41Å; K417-I421 HydrophobicContact CG-CD1 4.12Å; K417-I421 WeakPolarHBondContact O-CG1 3.15Å; K417-I421 PolarHBondContact O-N 3Å; E418-I421 PolarHBondContact O-N 3.36Å; I421-V423 PolarHBondContact O-N 2.74Å; I421-L424 WeakPolarHBondContact O-CB 3.48Å; I421-L424 PolarHBondContact O-N 2.92Å; I421-L424 VanDerWaalsContact O-N 3.11Å; I421-G425 PolarHBondContact O-N 3.33Å; I421-G425 VanDerWaalsContact O-N 3.09Å; I421-L446 HydrophobicContact CG1-CD2 4.14Å; I421-L446 HydrophobicContact CG2-CD2 4.01Å; I421-V457 HydrophobicContact CD1-CG1 3.94Å; I421-I460 HydrophobicContact CB-CG2 4.07Å; I421-I460 HydrophobicContact CG2-CG1 4.2Å; I421-I460 HydrophobicContact CG2-CG2 3.86Å; I421-T464 HydrophobicContact CG2-CG2 4.11Å; I421-T464 VanDerWaalsContact CG2-OG1 3.27Å; I421-T464 WeakPolarHBondContact CG2-OG1 3.46Å; I421-T464 PolarHBondContact O-OG1 3.05Å; I421-T464 VanDerWaalsContact O-OG1 3.08Å |
| 422 | L | 97.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 173 | 176.3 | 63.1 | 0 | 0 | 0 | 112 | M308 R379 A383 E418 S419 L424 G425 A426 I460 W463 | M308-L422 HydrophobicContact CB-CD2 4.11Å; M308-L422 HydrophobicContact CE-CB 4.34Å; M308-L422 HydrophobicContact CE-CD2 3.79Å; M308-L422 HydrophobicContact CE-CG 3.54Å; R379-L422 HydrophobicContact CG-CD2 4.49Å; A383-L422 HydrophobicContact CB-CD1 4.45Å; A383-L422 HydrophobicContact CB-CD2 4.24Å; E418-L422 PolarHBondContact O-N 3.11Å; S419-L422 PolarHBondContact O-N 2.78Å; L422-L424 VanDerWaalsContact C-N 3.27Å; L422-L424 PolarHBondContact O-N 3.45Å; L422-G425 PolarHBondContact O-N 2.66Å; L422-A426 WeakPolarHBondContact O-CB 3.36Å; L422-A426 PolarHBondContact O-N 3.2Å; L422-I460 HydrophobicContact CB-CD1 4.03Å; L422-I460 HydrophobicContact CB-CG1 3.93Å; L422-I460 HydrophobicContact CD1-CD1 3.66Å; L422-I460 HydrophobicContact CG-CD1 4.4Å; L422-W463 HydrophobicContact CD1-CE3 4.44Å; L422-W463 HydrophobicContact CD1-CH2 4.24Å; L422-W463 HydrophobicContact CD1-CZ3 3.82Å |
| 423 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.8 | -41 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | V305 M308 L386 I401 L405 S419 I421 G425 A426 I427 | V305-V423 HydrophobicContact CB-CG2 4.4Å; V305-V423 HydrophobicContact CG1-CG2 4.06Å; V305-V423 HydrophobicContact CG2-CG1 4.37Å; V305-V423 HydrophobicContact CG2-CG2 3.95Å; M308-V423 HydrophobicContact CE-CB 4.24Å; M308-V423 HydrophobicContact CE-CG2 3.5Å; M308-V423 HydrophobicContact SD-CG2 3.61Å; L386-V423 HydrophobicContact CD2-CG1 4.04Å; L386-V423 HydrophobicContact CD2-CG2 4.27Å; I401-V423 HydrophobicContact CD1-CG1 4.2Å; I401-V423 HydrophobicContact CG2-CG1 4.15Å; L405-V423 HydrophobicContact CD2-CB 3.98Å; L405-V423 HydrophobicContact CD2-CG1 3.69Å; L405-V423 HydrophobicContact CG-CG1 4.2Å; S419-V423 VanDerWaalsContact O-CG2 3.22Å; S419-V423 WeakPolarHBondContact O-CG2 3.34Å; S419-V423 PolarHBondContact O-N 3.03Å; I421-V423 PolarHBondContact O-N 2.74Å; V423-G425 VanDerWaalsContact C-N 3.32Å; V423-G425 PolarHBondContact O-N 3.31Å; V423-A426 PolarHBondContact O-N 3.06Å; V423-I427 WeakPolarHBondContact O-CG1 3.23Å; V423-I427 WeakPolarHBondContact O-CG2 3.48Å; V423-I427 PolarHBondContact O-N 3.39Å |
| 424 | L | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 179.8 | 178.2 | 61.4 | 0 | 0 | 0 | 112.3 | L405 L409 G420 I421 L422 M435 L442 L446 T464 Y468 | L405-L424 HydrophobicContact CD1-CD1 4.22Å; L405-L424 HydrophobicContact CD2-CB 4.14Å; L409-L424 HydrophobicContact CD1-CD2 4.33Å; L409-L424 HydrophobicContact CD2-CD2 4.28Å; G420-L424 PolarHBondContact O-N 3.08Å; I421-L424 WeakPolarHBondContact O-CB 3.48Å; I421-L424 PolarHBondContact O-N 2.92Å; I421-L424 VanDerWaalsContact O-N 3.11Å; L422-L424 VanDerWaalsContact C-N 3.27Å; L422-L424 PolarHBondContact O-N 3.45Å; L424-M435 HydrophobicContact CD1-CE 3.31Å; L424-L442 HydrophobicContact CD1-CD1 3.99Å; L424-L442 HydrophobicContact CD2-CD1 4.36Å; L424-L446 HydrophobicContact CD2-CD1 3.85Å; L424-L446 HydrophobicContact CD2-CD2 4.3Å; L424-L446 HydrophobicContact CD2-CG 4.35Å; L424-T464 HydrophobicContact CB-CG2 4.24Å; L424-T464 HydrophobicContact CD2-CG2 4.33Å; L424-T464 HydrophobicContact CG-CG2 4.13Å; L424-Y468 HydrophobicContact CD1-CE2 4.36Å; L424-Y468 HydrophobicContact CG-CE2 4.17Å; L424-Y468 WeakPolarHBondContact O-CE2 3.47Å; L424-Y468 PolarHBondContact O-OH 3.19Å |
| 425 | G | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -74.4 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I421 L422 V423 I427 A428 | I421-G425 PolarHBondContact O-N 3.33Å; I421-G425 VanDerWaalsContact O-N 3.09Å; L422-G425 PolarHBondContact O-N 2.66Å; V423-G425 VanDerWaalsContact C-N 3.32Å; V423-G425 PolarHBondContact O-N 3.31Å; G425-I427 PolarHBondContact O-N 3.45Å; G425-A428 WeakPolarHBondContact O-CB 3.31Å; G425-A428 PolarHBondContact O-N 3.33Å; G425-A428 VanDerWaalsContact O-N 3.07Å |
| 426 | A | 95.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -25.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M308 D387 L422 V423 | M308-A426 HydrophobicContact CE-CB 4.22Å; D387-A426 VanDerWaalsContact CA-O 3.28Å; D387-A426 WeakPolarHBondContact CA-O 3.24Å; D387-A426 WeakPolarHBondContact CB-O 3.49Å; L422-A426 WeakPolarHBondContact O-CB 3.36Å; L422-A426 PolarHBondContact O-N 3.2Å; V423-A426 PolarHBondContact O-N 3.06Å |
| 427 | I | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -2.4 | 177.1 | 68.9 | -178.4 | 0 | 0 | 0 | 113.4 | L386 A390 L398 I401 L405 V423 G425 E429 C431 M435 | L386-I427 HydrophobicContact CD2-CG2 4.18Å; L386-I427 HydrophobicContact CG-CG2 4.16Å; A390-I427 HydrophobicContact CB-CB 4.14Å; A390-I427 HydrophobicContact CB-CG2 4.24Å; L398-I427 HydrophobicContact CD2-CD1 4.26Å; I401-I427 HydrophobicContact CG2-CD1 3.73Å; L405-I427 HydrophobicContact CD1-CD1 4.03Å; V423-I427 WeakPolarHBondContact O-CG1 3.23Å; V423-I427 WeakPolarHBondContact O-CG2 3.48Å; V423-I427 PolarHBondContact O-N 3.39Å; G425-I427 PolarHBondContact O-N 3.45Å; I427-E429 PolarHBondContact O-N 3.37Å; I427-C431 HydrophobicContact CB-CB 4.43Å; I427-C431 VanDerWaalsContact O-CB 3.26Å; I427-C431 WeakPolarHBondContact O-CB 3.41Å; I427-C431 PolarHBondContact O-N 2.92Å; I427-M435 HydrophobicContact CD1-SD 4.26Å |
| 428 | A | 95 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -47.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G425 M432 R467 Y468 | G425-A428 WeakPolarHBondContact O-CB 3.31Å; G425-A428 PolarHBondContact O-N 3.33Å; G425-A428 VanDerWaalsContact O-N 3.07Å; A428-M432 VanDerWaalsContact O-CA 3.22Å; A428-M432 WeakPolarHBondContact O-CA 3.46Å; A428-M432 VanDerWaalsContact O-CB 3.24Å; A428-M432 WeakPolarHBondContact O-CB 3.42Å; A428-M432 PolarHBondContact O-N 3.21Å; A428-R467 HydrophobicContact CB-CB 3.84Å; A428-Y468 WeakPolarHBondContact CA-OH 3.26Å; A428-Y468 HydrophobicContact CB-CD1 4.39Å; A428-Y468 HydrophobicContact CB-CD2 4.25Å; A428-Y468 HydrophobicContact CB-CE1 3.8Å; A428-Y468 HydrophobicContact CB-CE2 3.63Å |
| 429 | E | 88.8 | Confident | 96.4 | Very high | 89 Ų | 89 | 26.9 Ų | 26.9 | 42% | 0.416 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -58.6 | -176.4 | -166.6 | -173.7 | 122.7 | 0 | 0 | 111.3 | N391 I427 C431 R467 | N391-E429 PolarHBondContact ND2-OE1 3.34Å; I427-E429 PolarHBondContact O-N 3.37Å; E429-C431 PolarHBondContact O-N 3.12Å; E429-R467 IonicContact OE2-CZ 3.75Å; E429-R467 IonicContact OE2-NH1 3.65Å; E429-R467 IonicContact OE2-NH2 2.8Å; E429-R467 PolarHBondContact OE2-NH2 2.92Å |
| 430 | G | 91.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -28.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A390 N391 R394 | A390-G430 WeakPolarHBondContact O-CA 3.04Å; N391-G430 WeakPolarHBondContact OD1-CA 3.24Å; N391-G430 PolarHBondContact OD1-N 3.09Å; R394-G430 VanDerWaalsContact CA-O 3.27Å; R394-G430 WeakPolarHBondContact CA-O 3.3Å; R394-G430 WeakPolarHBondContact CB-O 3.35Å |
| 431 | C | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 16.3 | -175.2 | -59 | 0 | 0 | 0 | 0 | 114.1 | R394 L398 I427 E429 Q433 G434 M435 | R394-C431 PolarHBondContact O-SG 3.03Å; L398-C431 HydrophobicContact CD1-CB 4.43Å; L398-C431 HydrophobicContact CD2-CB 3.8Å; L398-C431 HydrophobicContact CG-CB 4.16Å; I427-C431 HydrophobicContact CB-CB 4.43Å; I427-C431 VanDerWaalsContact O-CB 3.26Å; I427-C431 WeakPolarHBondContact O-CB 3.41Å; I427-C431 PolarHBondContact O-N 2.92Å; E429-C431 PolarHBondContact O-N 3.12Å; C431-Q433 VanDerWaalsContact C-N 3.34Å; C431-Q433 PolarHBondContact O-N 2.82Å; C431-G434 PolarHBondContact O-N 2.79Å; C431-M435 HydrophobicContact CB-CG 4.3Å; C431-M435 WeakPolarHBondContact O-CB 3.5Å; C431-M435 VanDerWaalsContact O-CG 3.32Å; C431-M435 WeakPolarHBondContact O-CG 3.27Å; C431-M435 PolarHBondContact O-N 3.22Å |
| 432 | M | 94.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 20% | 0.202 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.3 | -51.1 | -174.7 | -178.7 | 57.3 | 69.8 | 0 | 0 | 112.4 | A428 G434 M435 I436 L439 Y468 | A428-M432 VanDerWaalsContact O-CA 3.22Å; A428-M432 WeakPolarHBondContact O-CA 3.46Å; A428-M432 VanDerWaalsContact O-CB 3.24Å; A428-M432 WeakPolarHBondContact O-CB 3.42Å; A428-M432 PolarHBondContact O-N 3.21Å; M432-G434 PolarHBondContact O-N 3.46Å; M432-M435 PolarHBondContact O-N 2.9Å; M432-I436 WeakPolarHBondContact O-CG1 3.23Å; M432-I436 PolarHBondContact O-N 3.4Å; M432-L439 HydrophobicContact SD-CD1 4.19Å; M432-Y468 HydrophobicContact CE-CD1 3.49Å; M432-Y468 VanDerWaalsContact CE-CD1 3.49Å; M432-Y468 HydrophobicContact CE-CE1 3.81Å; M432-Y468 HydrophobicContact CE-CG 4.42Å; M432-Y468 HydrophobicContact SD-CD1 3.77Å; M432-Y468 HydrophobicContact SD-CE1 3.96Å |
| 433 | Q | 94.2 | Very high | 96.3 | Very high | 132 Ų | 132 | 37.2 Ų | 37.2 | 62% | 0.617 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.6 | -45.1 | -173.6 | -64 | -58.9 | -34 | 0 | 0 | 112.5 | C431 M435 | C431-Q433 VanDerWaalsContact C-N 3.34Å; C431-Q433 PolarHBondContact O-N 2.82Å; Q433-M435 VanDerWaalsContact C-N 3.29Å; Q433-M435 PolarHBondContact O-N 2.79Å |
| 434 | G | 96.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72 | -20.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | D395 L398 C431 M432 P437 Y438 | D395-G434 WeakPolarHBondContact OD1-CA 3.33Å; D395-G434 PolarHBondContact OD1-N 3.1Å; D395-G434 PolarHBondContact OD2-N 3.33Å; L398-G434 VanDerWaalsContact CD1-C 3.46Å; C431-G434 PolarHBondContact O-N 2.79Å; M432-G434 PolarHBondContact O-N 3.46Å; G434-P437 WeakPolarHBondContact O-CD 3.48Å; G434-Y438 WeakPolarHBondContact O-CE2 3.15Å |
| 435 | M | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -84.2 | -27.1 | 177.5 | -75.6 | -61.2 | -64.5 | 0 | 0 | 114 | L398 L402 L424 I427 C431 M432 Q433 P437 Y438 L439 L442 Y468 | L398-M435 HydrophobicContact CD1-CG 4.45Å; L398-M435 HydrophobicContact CD2-CG 3.93Å; L398-M435 HydrophobicContact CD2-SD 3.64Å; L402-M435 HydrophobicContact CD2-SD 4.09Å; L424-M435 HydrophobicContact CD1-CE 3.31Å; I427-M435 HydrophobicContact CD1-SD 4.26Å; C431-M435 HydrophobicContact CB-CG 4.3Å; C431-M435 WeakPolarHBondContact O-CB 3.5Å; C431-M435 VanDerWaalsContact O-CG 3.32Å; C431-M435 WeakPolarHBondContact O-CG 3.27Å; C431-M435 PolarHBondContact O-N 3.22Å; M432-M435 PolarHBondContact O-N 2.9Å; Q433-M435 VanDerWaalsContact C-N 3.29Å; Q433-M435 PolarHBondContact O-N 2.79Å; M435-P437 VanDerWaalsContact C-N 3.3Å; M435-P437 VanDerWaalsContact O-N 3.1Å; M435-Y438 PolarHBondContact O-N 3.11Å; M435-Y438 HydrophobicContact SD-CD2 4.28Å; M435-L439 PolarHBondContact O-N 2.98Å; M435-L442 HydrophobicContact CE-CD1 3.61Å; M435-Y468 HydrophobicContact CB-CE1 4.48Å |
| 436 | I | 97.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 41 Ų | 41 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44 | -43.8 | 178.7 | -73.6 | 168 | 0 | 0 | 0 | 114.1 | M432 Y438 L439 P440 | M432-I436 WeakPolarHBondContact O-CG1 3.23Å; M432-I436 PolarHBondContact O-N 3.4Å; I436-Y438 PolarHBondContact O-N 3.48Å; I436-Y438 VanDerWaalsContact O-N 3.12Å; I436-L439 HydrophobicContact CG1-CD1 4.33Å; I436-L439 PolarHBondContact O-N 3.21Å; I436-P440 VanDerWaalsContact O-CD 3.22Å; I436-P440 WeakPolarHBondContact O-CD 3.48Å |
| 437 | P | 97.8 | Very high | 96.5 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 61% | 0.61 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.5 | 178.8 | -25.2 | 35.9 | 0 | 0 | 0 | 114.9 | G434 M435 | G434-P437 WeakPolarHBondContact O-CD 3.48Å; M435-P437 VanDerWaalsContact C-N 3.3Å; M435-P437 VanDerWaalsContact O-N 3.1Å |
| 438 | Y | 97.4 | Very high | 96.5 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23.1 | -176.9 | -52.1 | -77.9 | 0 | 0 | 0 | 112.9 | L402 G434 M435 I436 P440 E441 L442 | L402-Y438 HydrophobicContact CD1-CE2 3.95Å; L402-Y438 HydrophobicContact CD2-CD2 4.35Å; L402-Y438 HydrophobicContact CD2-CE2 4.15Å; G434-Y438 WeakPolarHBondContact O-CE2 3.15Å; M435-Y438 PolarHBondContact O-N 3.11Å; M435-Y438 HydrophobicContact SD-CD2 4.28Å; I436-Y438 PolarHBondContact O-N 3.48Å; I436-Y438 VanDerWaalsContact O-N 3.12Å; Y438-P440 VanDerWaalsContact C-CD 3.41Å; Y438-P440 VanDerWaalsContact C-N 3.34Å; Y438-E441 PolarHBondContact O-N 3.26Å; Y438-L442 WeakPolarHBondContact O-CG 3.25Å; Y438-L442 PolarHBondContact O-N 3.27Å |
| 439 | L | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.8 | -36.4 | -179.1 | -60.9 | -176.4 | 0 | 0 | 0 | 114.8 | M432 M435 I436 E441 L442 I443 Y468 W471 | M432-L439 HydrophobicContact SD-CD1 4.19Å; M435-L439 PolarHBondContact O-N 2.98Å; I436-L439 HydrophobicContact CG1-CD1 4.33Å; I436-L439 PolarHBondContact O-N 3.21Å; L439-E441 PolarHBondContact O-N 3.34Å; L439-E441 VanDerWaalsContact O-N 3.1Å; L439-L442 PolarHBondContact O-N 2.81Å; L439-I443 HydrophobicContact CB-CG1 4.15Å; L439-I443 HydrophobicContact CD2-CD1 4.46Å; L439-I443 HydrophobicContact CD2-CG1 4.42Å; L439-I443 WeakPolarHBondContact O-CB 3.11Å; L439-I443 WeakPolarHBondContact O-CG1 3.38Å; L439-I443 PolarHBondContact O-N 3.34Å; L439-Y468 HydrophobicContact CD1-CD1 3.8Å; L439-Y468 HydrophobicContact CD1-CE1 4.24Å; L439-Y468 HydrophobicContact CD2-CD1 3.64Å; L439-Y468 HydrophobicContact CD2-CE1 3.63Å; L439-Y468 HydrophobicContact CD2-CG 4.23Å; L439-Y468 HydrophobicContact CG-CD1 4.39Å; L439-W471 HydrophobicContact CB-CD2 3.96Å; L439-W471 HydrophobicContact CB-CE3 4Å; L439-W471 HydrophobicContact CB-CH2 3.78Å; L439-W471 HydrophobicContact CB-CZ2 3.73Å; L439-W471 HydrophobicContact CB-CZ3 3.92Å; L439-W471 HydrophobicContact CD1-CB 4.01Å; L439-W471 HydrophobicContact CD1-CD2 3.54Å; L439-W471 HydrophobicContact CD1-CE3 4.08Å; L439-W471 HydrophobicContact CD1-CG 3.48Å; L439-W471 VanDerWaalsContact CD1-CG 3.48Å; L439-W471 HydrophobicContact CG-CD2 4.4Å |
| 440 | P | 98.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.1 | -24.9 | 175.8 | -28.6 | 36.3 | 0 | 0 | 0 | 114.9 | I436 Y438 P444 W471 | I436-P440 VanDerWaalsContact O-CD 3.22Å; I436-P440 WeakPolarHBondContact O-CD 3.48Å; Y438-P440 VanDerWaalsContact C-CD 3.41Å; Y438-P440 VanDerWaalsContact C-N 3.34Å; P440-P444 WeakPolarHBondContact O-CD 3.36Å; P440-P444 WeakPolarHBondContact O-CG 3.36Å; P440-W471 HydrophobicContact CG-CH2 4.25Å; P440-W471 HydrophobicContact CG-CZ2 4.06Å |
| 441 | E | 97 | Very high | 97.4 | Very high | 148 Ų | 148 | 47.6 Ų | 47.6 | 69% | 0.692 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -97.1 | -41.7 | 174.8 | -174.9 | 175.8 | -179.9 | 0 | 0 | 111.7 | Y438 L439 H445 | Y438-E441 PolarHBondContact O-N 3.26Å; L439-E441 PolarHBondContact O-N 3.34Å; L439-E441 VanDerWaalsContact O-N 3.1Å; E441-H445 PolarHBondContact O-N 3.14Å |
| 442 | L | 97.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.3 | -43.8 | -175.6 | -66.2 | 174.6 | 0 | 0 | 0 | 113 | L409 L424 M435 Y438 L439 H445 L446 | L409-L442 HydrophobicContact CD1-CD2 3.81Å; L424-L442 HydrophobicContact CD1-CD1 3.99Å; L424-L442 HydrophobicContact CD2-CD1 4.36Å; M435-L442 HydrophobicContact CE-CD1 3.61Å; Y438-L442 WeakPolarHBondContact O-CG 3.25Å; Y438-L442 PolarHBondContact O-N 3.27Å; L439-L442 PolarHBondContact O-N 2.81Å; L442-H445 WeakPolarHBondContact O-CB 3.39Å; L442-H445 PolarHBondContact O-N 3.49Å; L442-H445 VanDerWaalsContact O-N 3.13Å; L442-L446 WeakPolarHBondContact O-CG 3.37Å; L442-L446 PolarHBondContact O-N 3.25Å |
| 443 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | -177.2 | -63.4 | -62.4 | 0 | 0 | 0 | 111.7 | L439 H445 L446 I447 L465 Y468 W471 V472 Y480 | L439-I443 HydrophobicContact CB-CG1 4.15Å; L439-I443 HydrophobicContact CD2-CD1 4.46Å; L439-I443 HydrophobicContact CD2-CG1 4.42Å; L439-I443 WeakPolarHBondContact O-CB 3.11Å; L439-I443 WeakPolarHBondContact O-CG1 3.38Å; L439-I443 PolarHBondContact O-N 3.34Å; I443-H445 PolarHBondContact O-N 3.32Å; I443-L446 HydrophobicContact CD1-CD1 4.43Å; I443-L446 PolarHBondContact O-N 3.23Å; I443-I447 HydrophobicContact CG2-CD1 3.97Å; I443-I447 HydrophobicContact CG2-CG1 4.47Å; I443-I447 WeakPolarHBondContact O-CG1 3.25Å; I443-I447 PolarHBondContact O-N 2.67Å; I443-L465 HydrophobicContact CD1-CD2 4.09Å; I443-L465 HydrophobicContact CG2-CD2 4.27Å; I443-Y468 HydrophobicContact CD1-CG 4.3Å; I443-W471 HydrophobicContact CB-CZ3 4.15Å; I443-W471 HydrophobicContact CG1-CE3 3.97Å; I443-W471 HydrophobicContact CG1-CZ3 3.68Å; I443-V472 HydrophobicContact CD1-CG2 4.41Å; I443-V472 HydrophobicContact CG1-CG2 4.46Å; I443-V472 HydrophobicContact CG2-CG2 3.97Å; I443-Y480 HydrophobicContact CB-CD1 4.49Å; I443-Y480 HydrophobicContact CG2-CD1 4.09Å |
| 444 | P | 98.3 | Very high | 97.5 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.8 | -32.9 | 173.2 | -27.2 | 36.8 | 0 | 0 | 0 | 113.9 | P440 Q448 Y480 | P440-P444 WeakPolarHBondContact O-CD 3.36Å; P440-P444 WeakPolarHBondContact O-CG 3.36Å; P444-Q448 WeakPolarHBondContact O-CG 3.34Å; P444-Q448 PolarHBondContact O-N 3.18Å; P444-Y480 HydrophobicContact CG-CD1 4.18Å; P444-Y480 HydrophobicContact CG-CE1 3.74Å |
| 445 | H | 97.9 | Very high | 97.4 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 175.5 | 178.3 | 56.4 | 0 | 0 | 0 | 111.7 | F410 E441 L442 I443 I447 Q448 C449 | F410-H445 AromaticContact CD1-CE1 3.78Å; F410-H445 AromaticContact CD1-NE2 3.75Å; F410-H445 AromaticContact CE1-CD2 3.69Å; F410-H445 AromaticContact CE1-CE1 3.52Å; F410-H445 AromaticContact CE1-CG 3.87Å; F410-H445 AromaticContact CE1-ND1 3.78Å; F410-H445 AromaticContact CE1-NE2 3.44Å; F410-H445 WeakPolarHBondContact CE1-NE2 3.49Å; E441-H445 PolarHBondContact O-N 3.14Å; L442-H445 WeakPolarHBondContact O-CB 3.39Å; L442-H445 PolarHBondContact O-N 3.49Å; L442-H445 VanDerWaalsContact O-N 3.13Å; I443-H445 PolarHBondContact O-N 3.32Å; H445-I447 VanDerWaalsContact C-N 3.33Å; H445-I447 PolarHBondContact O-N 3.47Å; H445-Q448 WeakPolarHBondContact O-CA 3.36Å; H445-Q448 VanDerWaalsContact O-CB 3.3Å; H445-Q448 WeakPolarHBondContact O-CB 3.47Å; H445-Q448 PolarHBondContact O-N 3.16Å; H445-C449 PolarHBondContact O-N 2.7Å; H445-C449 VanDerWaalsContact O-N 3.1Å |
| 446 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.5 | -69.4 | 177 | 0 | 0 | 0 | 111.9 | I421 L424 L442 I443 Q448 C449 L450 T461 T464 L465 | I421-L446 HydrophobicContact CG1-CD2 4.14Å; I421-L446 HydrophobicContact CG2-CD2 4.01Å; L424-L446 HydrophobicContact CD2-CD1 3.85Å; L424-L446 HydrophobicContact CD2-CD2 4.3Å; L424-L446 HydrophobicContact CD2-CG 4.35Å; L442-L446 WeakPolarHBondContact O-CG 3.37Å; L442-L446 PolarHBondContact O-N 3.25Å; I443-L446 HydrophobicContact CD1-CD1 4.43Å; I443-L446 PolarHBondContact O-N 3.23Å; L446-Q448 PolarHBondContact O-N 3.33Å; L446-C449 WeakPolarHBondContact O-CA 3.38Å; L446-C449 VanDerWaalsContact O-CB 3.32Å; L446-C449 WeakPolarHBondContact O-CB 3.43Å; L446-C449 PolarHBondContact O-N 3.04Å; L446-L450 PolarHBondContact O-N 3.14Å; L446-L450 VanDerWaalsContact O-N 3.17Å; L446-T461 HydrophobicContact CB-CG2 4.18Å; L446-T461 HydrophobicContact CD2-CG2 4.41Å; L446-T461 WeakPolarHBondContact O-CG2 3.35Å; L446-T464 HydrophobicContact CD1-CG2 3.86Å; L446-L465 HydrophobicContact CB-CD1 4.13Å; L446-L465 HydrophobicContact CB-CD2 3.64Å; L446-L465 HydrophobicContact CB-CG 3.87Å; L446-L465 HydrophobicContact CD1-CD2 4.02Å; L446-L465 HydrophobicContact CD1-CG 4.27Å |
| 447 | I | 98.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -35 | 173.6 | -67.5 | 167.9 | 0 | 0 | 0 | 111.2 | I443 H445 L450 L465 P483 L484 E487 | I443-I447 HydrophobicContact CG2-CD1 3.97Å; I443-I447 HydrophobicContact CG2-CG1 4.47Å; I443-I447 WeakPolarHBondContact O-CG1 3.25Å; I443-I447 PolarHBondContact O-N 2.67Å; H445-I447 VanDerWaalsContact C-N 3.33Å; H445-I447 PolarHBondContact O-N 3.47Å; I447-L450 WeakPolarHBondContact O-CB 3.36Å; I447-L465 HydrophobicContact CG1-CD2 4.34Å; I447-P483 HydrophobicContact CD1-CB 4.35Å; I447-L484 HydrophobicContact CD1-CB 4.02Å; I447-L484 HydrophobicContact CG1-CB 4.35Å; I447-L484 HydrophobicContact CG1-CD1 4.13Å; I447-E487 HydrophobicContact CG2-CB 4.32Å; I447-E487 HydrophobicContact CG2-CG 3.85Å |
| 448 | Q | 97.9 | Very high | 97.2 | Very high | 135 Ų | 135 | 43.6 Ų | 43.6 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -69.5 | -36.2 | 172.8 | -64.7 | 170.4 | 8.3 | 0 | 0 | 112.3 | P444 H445 L446 L450 S451 | P444-Q448 WeakPolarHBondContact O-CG 3.34Å; P444-Q448 PolarHBondContact O-N 3.18Å; H445-Q448 WeakPolarHBondContact O-CA 3.36Å; H445-Q448 VanDerWaalsContact O-CB 3.3Å; H445-Q448 WeakPolarHBondContact O-CB 3.47Å; H445-Q448 PolarHBondContact O-N 3.16Å; L446-Q448 PolarHBondContact O-N 3.33Å; Q448-L450 PolarHBondContact O-N 2.96Å; Q448-S451 PolarHBondContact O-N 3.43Å |
| 449 | C | 98.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -22.6 | 177.3 | -69.7 | 0 | 0 | 0 | 0 | 113.5 | H445 L446 S451 D452 T461 | H445-C449 PolarHBondContact O-N 2.7Å; H445-C449 VanDerWaalsContact O-N 3.1Å; L446-C449 WeakPolarHBondContact O-CA 3.38Å; L446-C449 VanDerWaalsContact O-CB 3.32Å; L446-C449 WeakPolarHBondContact O-CB 3.43Å; L446-C449 PolarHBondContact O-N 3.04Å; C449-S451 PolarHBondContact O-N 2.89Å; C449-S451 VanDerWaalsContact O-N 3.13Å; C449-D452 VanDerWaalsContact O-CB 3.27Å; C449-D452 WeakPolarHBondContact O-CB 3.47Å; C449-D452 PolarHBondContact O-N 2.98Å; C449-T461 HydrophobicContact CB-CG2 3.74Å |
| 450 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.2 | 169.2 | -66.6 | 175.4 | 0 | 0 | 0 | 112.1 | L446 I447 Q448 R458 T461 C462 L465 L484 E487 L488 R491 | L446-L450 PolarHBondContact O-N 3.14Å; L446-L450 VanDerWaalsContact O-N 3.17Å; I447-L450 WeakPolarHBondContact O-CB 3.36Å; Q448-L450 PolarHBondContact O-N 2.96Å; L450-R458 WeakPolarHBondContact O-CD 3.17Å; L450-R458 WeakPolarHBondContact O-CG 3.47Å; L450-T461 HydrophobicContact CD2-CG2 3.71Å; L450-T461 HydrophobicContact CG-CG2 3.9Å; L450-C462 HydrophobicContact CD2-CB 4.5Å; L450-C462 VanDerWaalsContact CD2-SG 3.56Å; L450-L465 HydrophobicContact CD1-CD1 3.71Å; L450-L465 HydrophobicContact CD2-CD1 3.97Å; L450-L465 HydrophobicContact CG-CD1 3.8Å; L450-L484 HydrophobicContact CD1-CD1 4.38Å; L450-E487 HydrophobicContact CB-CB 4.47Å; L450-E487 HydrophobicContact CD1-CB 3.7Å; L450-L488 HydrophobicContact CD1-CD2 4.21Å; L450-L488 HydrophobicContact CD1-CG 4.28Å; L450-L488 HydrophobicContact CD2-CD2 4.2Å; L450-R491 HydrophobicContact CB-CG 4.17Å; L450-R491 HydrophobicContact CD2-CG 4.21Å; L450-R491 VanDerWaalsContact O-CD 3.23Å; L450-R491 WeakPolarHBondContact O-CD 3.21Å |
| 451 | S | 96.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 54% | 0.538 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 14.9 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | Q448 C449 | Q448-S451 PolarHBondContact O-N 3.43Å; C449-S451 PolarHBondContact O-N 2.89Å; C449-S451 VanDerWaalsContact O-N 3.13Å |
| 452 | D | 97.2 | Very high | 97.1 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | trans | -64.6 | 147.7 | 176.9 | -162 | -63.4 | 0 | 0 | 0 | 110.9 | K417 C449 K454 V457 R458 | K417-D452 IonicContact NZ-OD2 3.77Å; K417-D452 PolarHBondContact NZ-OD2 3.49Å; C449-D452 VanDerWaalsContact O-CB 3.27Å; C449-D452 WeakPolarHBondContact O-CB 3.47Å; C449-D452 PolarHBondContact O-N 2.98Å; D452-K454 PolarHBondContact O-N 2.9Å; D452-K454 PolarHBondContact OD1-N 3.5Å; D452-V457 HydrophobicContact CB-CB 4.18Å; D452-V457 HydrophobicContact CB-CG1 3.8Å; D452-R458 WeakPolarHBondContact O-CD 3.35Å; D452-R458 VanDerWaalsContact O-CG 3.29Å; D452-R458 WeakPolarHBondContact O-CG 3.4Å; D452-R458 PolarHBondContact O-NH1 3.35Å | ||
| 453 | K | 94.4 | Very high | 97 | Very high | 172 Ų | 172 | 33.7 Ų | 33.7 | 75% | 0.748 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -67 | -17.5 | -179.8 | 63.8 | 177.4 | -179.9 | 179.3 | 0 | 113.4 | E323 R458 | E323-K453 VanDerWaalsContact OE2-O 3.04Å; K453-R458 PolarHBondContact O-NH1 2.81Å |
| 454 | K | 95.4 | Very high | 97 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | trans | -99.6 | 120.6 | -178.7 | -79.4 | -59.6 | -162.1 | 171.6 | 0 | 111.6 | G320 D321 E323 W414 D452 L456 V457 R458 | G320-K454 PolarHBondContact O-NZ 3.23Å; D321-K454 IonicContact OD1-NZ 2.61Å; D321-K454 PolarHBondContact OD1-NZ 2.86Å; E323-K454 WeakPolarHBondContact OE1-CA 3.23Å; W414-K454 HydrophobicContact CB-CB 4.47Å; W414-K454 HydrophobicContact CB-CG 4.03Å; W414-K454 HydrophobicContact CD2-CG 4.19Å; W414-K454 HydrophobicContact CG-CG 3.86Å; D452-K454 PolarHBondContact O-N 2.9Å; D452-K454 PolarHBondContact OD1-N 3.5Å; K454-L456 VanDerWaalsContact C-N 3.33Å; K454-L456 PolarHBondContact O-N 3.22Å; K454-V457 HydrophobicContact CB-CB 4.25Å; K454-V457 HydrophobicContact CB-CG2 3.86Å; K454-V457 WeakPolarHBondContact O-CB 3.29Å; K454-V457 PolarHBondContact O-N 2.91Å; K454-V457 VanDerWaalsContact O-N 3.09Å; K454-R458 PolarHBondContact O-N 3.36Å; K454-R458 VanDerWaalsContact O-N 3.12Å | ||
| 455 | A | 94.3 | Very high | 97 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.2 | -44.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E323 V457 R458 S459 N496 V499 | E323-A455 PolarHBondContact OE1-N 2.85Å; E323-A455 WeakPolarHBondContact OE2-CB 3.25Å; E323-A455 PolarHBondContact OE2-N 2.96Å; A455-V457 VanDerWaalsContact C-N 3.29Å; A455-V457 PolarHBondContact O-N 3.32Å; A455-R458 WeakPolarHBondContact O-CB 3.08Å; A455-R458 PolarHBondContact O-N 3.27Å; A455-R458 VanDerWaalsContact O-N 3.11Å; A455-S459 WeakPolarHBondContact O-CB 3.42Å; A455-S459 PolarHBondContact O-N 3.21Å; A455-N496 HydrophobicContact CB-CB 3.99Å; A455-V499 HydrophobicContact CB-CG2 3.83Å; A455-V499 VanDerWaalsContact O-CG2 3.29Å; A455-V499 WeakPolarHBondContact O-CG2 3.21Å |
| 456 | L | 93.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 179.2 | -65.7 | 174.5 | 0 | 0 | 0 | 112.7 | Y310 L318 W414 K454 I460 | Y310-L456 HydrophobicContact CE2-CD1 4.35Å; L318-L456 HydrophobicContact CD1-CD2 4.45Å; W414-L456 HydrophobicContact CE3-CB 4.48Å; W414-L456 HydrophobicContact CH2-CB 4.45Å; W414-L456 HydrophobicContact CH2-CD1 3.52Å; W414-L456 HydrophobicContact CZ3-CB 3.79Å; W414-L456 HydrophobicContact CZ3-CD1 3.71Å; W414-L456 HydrophobicContact CZ3-CG 4.38Å; K454-L456 VanDerWaalsContact C-N 3.33Å; K454-L456 PolarHBondContact O-N 3.22Å; L456-I460 WeakPolarHBondContact O-CG2 3.49Å; L456-I460 PolarHBondContact O-N 3.33Å; L456-I460 VanDerWaalsContact O-N 3.16Å |
| 457 | V | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | W414 K417 E418 I421 D452 K454 A455 S459 I460 T461 | W414-V457 HydrophobicContact CB-CG2 3.98Å; W414-V457 HydrophobicContact CE3-CG2 4.11Å; K417-V457 HydrophobicContact CD-CG1 4.34Å; E418-V457 HydrophobicContact CB-CG2 4.17Å; E418-V457 HydrophobicContact CG-CG2 4.48Å; I421-V457 HydrophobicContact CD1-CG1 3.94Å; D452-V457 HydrophobicContact CB-CB 4.18Å; D452-V457 HydrophobicContact CB-CG1 3.8Å; K454-V457 HydrophobicContact CB-CB 4.25Å; K454-V457 HydrophobicContact CB-CG2 3.86Å; K454-V457 WeakPolarHBondContact O-CB 3.29Å; K454-V457 PolarHBondContact O-N 2.91Å; K454-V457 VanDerWaalsContact O-N 3.09Å; A455-V457 VanDerWaalsContact C-N 3.29Å; A455-V457 PolarHBondContact O-N 3.32Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.36Å; V457-I460 WeakPolarHBondContact O-CG2 3.35Å; V457-T461 VanDerWaalsContact O-CB 3.3Å; V457-T461 WeakPolarHBondContact O-CB 3.5Å; V457-T461 PolarHBondContact O-N 2.75Å; V457-T461 PolarHBondContact O-OG1 2.68Å |
| 458 | R | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 177.9 | -60.9 | -163.2 | -67 | -73.8 | 0.8 | 111.2 | E323 L450 D452 K453 K454 A455 T461 C462 R491 D494 V499 | E323-R458 IonicContact OE2-CZ 3.33Å; E323-R458 IonicContact OE2-NH1 2.61Å; E323-R458 PolarHBondContact OE2-NH1 3.38Å; E323-R458 IonicContact OE2-NH2 2.99Å; E323-R458 PolarHBondContact OE2-NH2 3.14Å; L450-R458 WeakPolarHBondContact O-CD 3.17Å; L450-R458 WeakPolarHBondContact O-CG 3.47Å; D452-R458 WeakPolarHBondContact O-CD 3.35Å; D452-R458 VanDerWaalsContact O-CG 3.29Å; D452-R458 WeakPolarHBondContact O-CG 3.4Å; D452-R458 PolarHBondContact O-NH1 3.35Å; K453-R458 PolarHBondContact O-NH1 2.81Å; K454-R458 PolarHBondContact O-N 3.36Å; K454-R458 VanDerWaalsContact O-N 3.12Å; A455-R458 WeakPolarHBondContact O-CB 3.08Å; A455-R458 PolarHBondContact O-N 3.27Å; A455-R458 VanDerWaalsContact O-N 3.11Å; R458-T461 WeakPolarHBondContact O-CB 3.34Å; R458-T461 PolarHBondContact O-N 3.24Å; R458-C462 PolarHBondContact O-N 2.9Å; R458-C462 PolarHBondContact O-SG 2.98Å; R458-C462 VanDerWaalsContact O-SG 3.33Å; R458-R491 VanDerWaalsContact CD-NH1 3.34Å; R458-D494 IonicContact CZ-OD1 3.31Å; R458-D494 IonicContact CZ-OD2 3.54Å; R458-D494 IonicContact NE-OD1 3.41Å; R458-D494 IonicContact NE-OD2 3.79Å; R458-D494 PolarHBondContact NE-OD2 3.07Å; R458-D494 IonicContact NH2-OD1 2.79Å; R458-D494 PolarHBondContact NH2-OD1 3.11Å; R458-D494 IonicContact NH2-OD2 3.06Å; R458-D494 PolarHBondContact NH2-OD2 3.2Å; R458-V499 HydrophobicContact CB-CG1 3.94Å; R458-V499 HydrophobicContact CB-CG2 4.03Å |
| 459 | S | 95.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 27 Ų | 27 | 13% | 0.133 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -53.6 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | A455 V457 T461 C462 W463 A502 | A455-S459 WeakPolarHBondContact O-CB 3.42Å; A455-S459 PolarHBondContact O-N 3.21Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.36Å; S459-T461 PolarHBondContact O-N 2.83Å; S459-C462 WeakPolarHBondContact O-CB 3.42Å; S459-C462 PolarHBondContact O-N 3.02Å; S459-C462 VanDerWaalsContact O-N 3.14Å; S459-W463 PolarHBondContact O-N 3.26Å; S459-A502 WeakPolarHBondContact OG-CB 3.48Å |
| 460 | I | 96.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -27.5 | 179 | -167.3 | 59.2 | 0 | 0 | 0 | 112.9 | E418 I421 L422 L456 V457 W463 T464 | E418-I460 HydrophobicContact CG-CG2 3.76Å; E418-I460 WeakPolarHBondContact OE1-CB 3.34Å; E418-I460 WeakPolarHBondContact OE1-CG2 3.43Å; I421-I460 HydrophobicContact CB-CG2 4.07Å; I421-I460 HydrophobicContact CG2-CG1 4.2Å; I421-I460 HydrophobicContact CG2-CG2 3.86Å; L422-I460 HydrophobicContact CB-CD1 4.03Å; L422-I460 HydrophobicContact CB-CG1 3.93Å; L422-I460 HydrophobicContact CD1-CD1 3.66Å; L422-I460 HydrophobicContact CG-CD1 4.4Å; L456-I460 WeakPolarHBondContact O-CG2 3.49Å; L456-I460 PolarHBondContact O-N 3.33Å; L456-I460 VanDerWaalsContact O-N 3.16Å; V457-I460 WeakPolarHBondContact O-CG2 3.35Å; I460-W463 HydrophobicContact CD1-CD2 4.29Å; I460-W463 HydrophobicContact CD1-CE3 3.59Å; I460-W463 HydrophobicContact CD1-CZ3 4.2Å; I460-W463 PolarHBondContact O-N 2.99Å; I460-T464 WeakPolarHBondContact O-CB 3.44Å; I460-T464 PolarHBondContact O-N 3.38Å; I460-T464 PolarHBondContact O-OG1 3.44Å |
| 461 | T | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.2 | L446 C449 L450 V457 R458 S459 T464 L465 | L446-T461 HydrophobicContact CB-CG2 4.18Å; L446-T461 HydrophobicContact CD2-CG2 4.41Å; L446-T461 WeakPolarHBondContact O-CG2 3.35Å; C449-T461 HydrophobicContact CB-CG2 3.74Å; L450-T461 HydrophobicContact CD2-CG2 3.71Å; L450-T461 HydrophobicContact CG-CG2 3.9Å; V457-T461 VanDerWaalsContact O-CB 3.3Å; V457-T461 WeakPolarHBondContact O-CB 3.5Å; V457-T461 PolarHBondContact O-N 2.75Å; V457-T461 PolarHBondContact O-OG1 2.68Å; R458-T461 WeakPolarHBondContact O-CB 3.34Å; R458-T461 PolarHBondContact O-N 3.24Å; S459-T461 PolarHBondContact O-N 2.83Å; T461-T464 PolarHBondContact O-N 3.04Å; T461-L465 HydrophobicContact CG2-CD1 3.79Å; T461-L465 HydrophobicContact CG2-CG 4.43Å; T461-L465 WeakPolarHBondContact O-CB 3.42Å; T461-L465 WeakPolarHBondContact O-CD1 3.42Å; T461-L465 WeakPolarHBondContact O-CG 3.42Å; T461-L465 PolarHBondContact O-N 3.42Å |
| 462 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.1 | -53.8 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | L450 R458 S459 T464 L465 S466 L488 A502 A506 | L450-C462 HydrophobicContact CD2-CB 4.5Å; L450-C462 VanDerWaalsContact CD2-SG 3.56Å; R458-C462 PolarHBondContact O-N 2.9Å; R458-C462 PolarHBondContact O-SG 2.98Å; R458-C462 VanDerWaalsContact O-SG 3.33Å; S459-C462 WeakPolarHBondContact O-CB 3.42Å; S459-C462 PolarHBondContact O-N 3.02Å; S459-C462 VanDerWaalsContact O-N 3.14Å; C462-T464 PolarHBondContact O-N 3.08Å; C462-L465 PolarHBondContact O-N 2.97Å; C462-S466 PolarHBondContact O-N 3.36Å; C462-S466 VanDerWaalsContact O-N 3.11Å; C462-L488 HydrophobicContact CB-CD2 4.23Å; C462-A502 HydrophobicContact CB-CB 4.18Å; C462-A502 WeakPolarHBondContact CB-O 3.43Å; C462-A506 HydrophobicContact CB-CB 3.85Å; C462-A506 VanDerWaalsContact O-CB 3.25Å; C462-A506 WeakPolarHBondContact O-CB 3.4Å |
| 463 | W | 96.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 28.3 Ų | 28.3 | 36% | 0.356 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 179 | 178.2 | 83.9 | 0 | 0 | 0 | 112.6 | L422 S459 I460 L465 S466 R467 | L422-W463 HydrophobicContact CD1-CE3 4.44Å; L422-W463 HydrophobicContact CD1-CH2 4.24Å; L422-W463 HydrophobicContact CD1-CZ3 3.82Å; S459-W463 PolarHBondContact O-N 3.26Å; I460-W463 HydrophobicContact CD1-CD2 4.29Å; I460-W463 HydrophobicContact CD1-CE3 3.59Å; I460-W463 HydrophobicContact CD1-CZ3 4.2Å; I460-W463 PolarHBondContact O-N 2.99Å; W463-L465 VanDerWaalsContact C-N 3.3Å; W463-L465 PolarHBondContact O-N 3.18Å; W463-S466 PolarHBondContact O-N 3Å; W463-S466 PolarHBondContact O-OG 3.23Å; W463-R467 HydrophobicContact CD2-CG 4.37Å; W463-R467 HydrophobicContact CH2-CG 4.39Å; W463-R467 HydrophobicContact CZ2-CG 4.14Å; W463-R467 WeakPolarHBondContact O-CG 3.28Å; W463-R467 PolarHBondContact O-N 3.01Å |
| 464 | T | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 179.4 | -59 | 0 | 0 | 0 | 0 | 112 | I421 L424 L446 I460 T461 C462 Y468 | I421-T464 HydrophobicContact CG2-CG2 4.11Å; I421-T464 VanDerWaalsContact CG2-OG1 3.27Å; I421-T464 WeakPolarHBondContact CG2-OG1 3.46Å; I421-T464 PolarHBondContact O-OG1 3.05Å; I421-T464 VanDerWaalsContact O-OG1 3.08Å; L424-T464 HydrophobicContact CB-CG2 4.24Å; L424-T464 HydrophobicContact CD2-CG2 4.33Å; L424-T464 HydrophobicContact CG-CG2 4.13Å; L446-T464 HydrophobicContact CD1-CG2 3.86Å; I460-T464 WeakPolarHBondContact O-CB 3.44Å; I460-T464 PolarHBondContact O-N 3.38Å; I460-T464 PolarHBondContact O-OG1 3.44Å; T461-T464 PolarHBondContact O-N 3.04Å; C462-T464 PolarHBondContact O-N 3.08Å; T464-Y468 HydrophobicContact CG2-CE2 4.47Å; T464-Y468 WeakPolarHBondContact O-CD2 3.34Å |
| 465 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.3 | -35.5 | 176.5 | -79.3 | 163.4 | 0 | 0 | 0 | 112.3 | I443 L446 I447 L450 T461 C462 W463 R467 Y468 A469 L484 | I443-L465 HydrophobicContact CD1-CD2 4.09Å; I443-L465 HydrophobicContact CG2-CD2 4.27Å; L446-L465 HydrophobicContact CB-CD1 4.13Å; L446-L465 HydrophobicContact CB-CD2 3.64Å; L446-L465 HydrophobicContact CB-CG 3.87Å; L446-L465 HydrophobicContact CD1-CD2 4.02Å; L446-L465 HydrophobicContact CD1-CG 4.27Å; I447-L465 HydrophobicContact CG1-CD2 4.34Å; L450-L465 HydrophobicContact CD1-CD1 3.71Å; L450-L465 HydrophobicContact CD2-CD1 3.97Å; L450-L465 HydrophobicContact CG-CD1 3.8Å; T461-L465 HydrophobicContact CG2-CD1 3.79Å; T461-L465 HydrophobicContact CG2-CG 4.43Å; T461-L465 WeakPolarHBondContact O-CB 3.42Å; T461-L465 WeakPolarHBondContact O-CD1 3.42Å; T461-L465 WeakPolarHBondContact O-CG 3.42Å; T461-L465 PolarHBondContact O-N 3.42Å; C462-L465 PolarHBondContact O-N 2.97Å; W463-L465 VanDerWaalsContact C-N 3.3Å; W463-L465 PolarHBondContact O-N 3.18Å; L465-R467 VanDerWaalsContact C-N 3.35Å; L465-Y468 CarbonylContact O-C 3.59Å; L465-Y468 PolarHBondContact O-N 3.1Å; L465-A469 PolarHBondContact O-N 2.98Å; L465-L484 HydrophobicContact CB-CD1 4.03Å; L465-L484 HydrophobicContact CD1-CD1 3.63Å; L465-L484 HydrophobicContact CD2-CD1 4.01Å; L465-L484 HydrophobicContact CG-CD1 4.1Å |
| 466 | S | 95.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 176.8 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | C462 W463 Y468 A469 | C462-S466 PolarHBondContact O-N 3.36Å; C462-S466 VanDerWaalsContact O-N 3.11Å; W463-S466 PolarHBondContact O-N 3Å; W463-S466 PolarHBondContact O-OG 3.23Å; S466-Y468 PolarHBondContact O-N 3.39Å; S466-A469 WeakPolarHBondContact O-CB 3.22Å; S466-A469 PolarHBondContact O-N 2.86Å |
| 467 | R | 95.4 | Very high | 96.3 | Very high | 79 Ų | 79 | 29.9 Ų | 29.9 | 30% | 0.298 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.1 | 173.8 | -61.1 | -69.1 | -79 | 165.7 | -1.8 | 114.2 | D387 A428 E429 W463 L465 | D387-R467 IonicContact OD2-NH2 3.03Å; D387-R467 PolarHBondContact OD2-NH2 3.17Å; A428-R467 HydrophobicContact CB-CB 3.84Å; E429-R467 IonicContact OE2-CZ 3.75Å; E429-R467 IonicContact OE2-NH1 3.65Å; E429-R467 IonicContact OE2-NH2 2.8Å; E429-R467 PolarHBondContact OE2-NH2 2.92Å; W463-R467 HydrophobicContact CD2-CG 4.37Å; W463-R467 HydrophobicContact CH2-CG 4.39Å; W463-R467 HydrophobicContact CZ2-CG 4.14Å; W463-R467 WeakPolarHBondContact O-CG 3.28Å; W463-R467 PolarHBondContact O-N 3.01Å; L465-R467 VanDerWaalsContact C-N 3.35Å |
| 468 | Y | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 15.1 | 173 | -66.1 | -82.5 | 0 | 0 | 0 | 113 | L424 A428 M432 M435 L439 I443 T464 L465 S466 H470 W471 V472 | L424-Y468 HydrophobicContact CD1-CE2 4.36Å; L424-Y468 HydrophobicContact CG-CE2 4.17Å; L424-Y468 WeakPolarHBondContact O-CE2 3.47Å; L424-Y468 PolarHBondContact O-OH 3.19Å; A428-Y468 WeakPolarHBondContact CA-OH 3.26Å; A428-Y468 HydrophobicContact CB-CD1 4.39Å; A428-Y468 HydrophobicContact CB-CD2 4.25Å; A428-Y468 HydrophobicContact CB-CE1 3.8Å; A428-Y468 HydrophobicContact CB-CE2 3.63Å; M432-Y468 HydrophobicContact CE-CD1 3.49Å; M432-Y468 VanDerWaalsContact CE-CD1 3.49Å; M432-Y468 HydrophobicContact CE-CE1 3.81Å; M432-Y468 HydrophobicContact CE-CG 4.42Å; M432-Y468 HydrophobicContact SD-CD1 3.77Å; M432-Y468 HydrophobicContact SD-CE1 3.96Å; M435-Y468 HydrophobicContact CB-CE1 4.48Å; L439-Y468 HydrophobicContact CD1-CD1 3.8Å; L439-Y468 HydrophobicContact CD1-CE1 4.24Å; L439-Y468 HydrophobicContact CD2-CD1 3.64Å; L439-Y468 HydrophobicContact CD2-CE1 3.63Å; L439-Y468 HydrophobicContact CD2-CG 4.23Å; L439-Y468 HydrophobicContact CG-CD1 4.39Å; I443-Y468 HydrophobicContact CD1-CG 4.3Å; T464-Y468 HydrophobicContact CG2-CE2 4.47Å; T464-Y468 WeakPolarHBondContact O-CD2 3.34Å; L465-Y468 CarbonylContact O-C 3.59Å; L465-Y468 PolarHBondContact O-N 3.1Å; S466-Y468 PolarHBondContact O-N 3.39Å; Y468-H470 VanDerWaalsContact C-N 3.34Å; Y468-H470 PolarHBondContact O-N 3.36Å; Y468-W471 PolarHBondContact O-N 2.83Å; Y468-V472 PolarHBondContact O-N 2.87Å; Y468-V472 VanDerWaalsContact O-N 3.12Å |
| 469 | A | 95 | Very high | 96 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L465 S466 W471 V472 V473 L510 E513 | L465-A469 PolarHBondContact O-N 2.98Å; S466-A469 WeakPolarHBondContact O-CB 3.22Å; S466-A469 PolarHBondContact O-N 2.86Å; A469-W471 VanDerWaalsContact C-N 3.32Å; A469-W471 PolarHBondContact O-N 2.82Å; A469-V472 WeakPolarHBondContact O-CA 3.41Å; A469-V472 WeakPolarHBondContact O-CB 3.46Å; A469-V472 PolarHBondContact O-N 2.74Å; A469-V473 WeakPolarHBondContact O-CG2 3.38Å; A469-V473 PolarHBondContact O-N 2.72Å; A469-L510 HydrophobicContact CB-CD1 4Å; A469-E513 HydrophobicContact CB-CB 4.27Å; A469-E513 HydrophobicContact CB-CG 3.98Å |
| 470 | H | 93.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 43% | 0.431 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -51.9 | -49.3 | 176.1 | -174.1 | 72.1 | 0 | 0 | 0 | 112.4 | Y468 V472 V473 S474 E513 | Y468-H470 VanDerWaalsContact C-N 3.34Å; Y468-H470 PolarHBondContact O-N 3.36Å; H470-V472 PolarHBondContact O-N 3.29Å; H470-V473 PolarHBondContact O-N 3.24Å; H470-S474 PolarHBondContact O-N 2.99Å; H470-E513 WeakPolarHBondContact CA-OE2 3.43Å; H470-E513 WeakPolarHBondContact CB-OE2 3.41Å; H470-E513 IonicContact CE1-OE2 2.89Å; H470-E513 IonicContact CG-OE2 3.14Å; H470-E513 IonicContact ND1-OE2 3.77Å; H470-E513 PolarHBondContact ND1-OE2 3.25Å |
| 471 | W | 97.5 | Very high | 96.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 177 | -178.5 | 85 | 0 | 0 | 0 | 111 | L439 P440 I443 Y468 A469 V473 S474 Q475 Y480 | L439-W471 HydrophobicContact CB-CD2 3.96Å; L439-W471 HydrophobicContact CB-CE3 4Å; L439-W471 HydrophobicContact CB-CH2 3.78Å; L439-W471 HydrophobicContact CB-CZ2 3.73Å; L439-W471 HydrophobicContact CB-CZ3 3.92Å; L439-W471 HydrophobicContact CD1-CB 4.01Å; L439-W471 HydrophobicContact CD1-CD2 3.54Å; L439-W471 HydrophobicContact CD1-CE3 4.08Å; L439-W471 HydrophobicContact CD1-CG 3.48Å; L439-W471 VanDerWaalsContact CD1-CG 3.48Å; L439-W471 HydrophobicContact CG-CD2 4.4Å; P440-W471 HydrophobicContact CG-CH2 4.25Å; P440-W471 HydrophobicContact CG-CZ2 4.06Å; I443-W471 HydrophobicContact CB-CZ3 4.15Å; I443-W471 HydrophobicContact CG1-CE3 3.97Å; I443-W471 HydrophobicContact CG1-CZ3 3.68Å; Y468-W471 PolarHBondContact O-N 2.83Å; A469-W471 VanDerWaalsContact C-N 3.32Å; A469-W471 PolarHBondContact O-N 2.82Å; W471-V473 VanDerWaalsContact C-N 3.34Å; W471-V473 PolarHBondContact O-N 3.4Å; W471-S474 PolarHBondContact O-N 3.09Å; W471-S474 PolarHBondContact O-OG 3.41Å; W471-Q475 HydrophobicContact CD2-CG 4.19Å; W471-Q475 HydrophobicContact CE3-CG 4.31Å; W471-Q475 HydrophobicContact CH2-CG 4.05Å; W471-Q475 HydrophobicContact CZ2-CG 3.91Å; W471-Q475 HydrophobicContact CZ3-CG 4.23Å; W471-Q475 WeakPolarHBondContact O-CG 3.44Å; W471-Q475 PolarHBondContact O-N 3.12Å; W471-Y480 HydrophobicContact CH2-CD2 4.22Å; W471-Y480 HydrophobicContact CH2-CE1 4.24Å; W471-Y480 AromaticContact CH2-CE2 3.87Å; W471-Y480 HydrophobicContact CH2-CE2 3.87Å; W471-Y480 AromaticContact CH2-CZ 3.89Å; W471-Y480 HydrophobicContact CZ3-CD1 4.33Å; W471-Y480 HydrophobicContact CZ3-CD2 4.23Å; W471-Y480 HydrophobicContact CZ3-CE1 4.43Å; W471-Y480 HydrophobicContact CZ3-CE2 4.33Å; W471-Y480 HydrophobicContact CZ3-CG 4.23Å |
| 472 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | -179.8 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | I443 Y468 A469 H470 Q475 L481 L484 | I443-V472 HydrophobicContact CD1-CG2 4.41Å; I443-V472 HydrophobicContact CG1-CG2 4.46Å; I443-V472 HydrophobicContact CG2-CG2 3.97Å; Y468-V472 PolarHBondContact O-N 2.87Å; Y468-V472 VanDerWaalsContact O-N 3.12Å; A469-V472 WeakPolarHBondContact O-CA 3.41Å; A469-V472 WeakPolarHBondContact O-CB 3.46Å; A469-V472 PolarHBondContact O-N 2.74Å; H470-V472 PolarHBondContact O-N 3.29Å; V472-Q475 PolarHBondContact O-N 3.44Å; V472-L481 HydrophobicContact CG1-CB 4.07Å; V472-L481 HydrophobicContact CG1-CD1 4.46Å; V472-L484 HydrophobicContact CB-CD2 4.34Å; V472-L484 HydrophobicContact CG1-CD2 3.83Å; V472-L484 HydrophobicContact CG2-CD2 4.21Å |
| 473 | V | 95.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 179.1 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | A469 H470 W471 Q475 L481 L510 E513 A514 | A469-V473 WeakPolarHBondContact O-CG2 3.38Å; A469-V473 PolarHBondContact O-N 2.72Å; H470-V473 PolarHBondContact O-N 3.24Å; W471-V473 VanDerWaalsContact C-N 3.34Å; W471-V473 PolarHBondContact O-N 3.4Å; V473-Q475 PolarHBondContact O-N 3.15Å; V473-L481 HydrophobicContact CG2-CD1 4.14Å; V473-L510 HydrophobicContact CG2-CD1 4.03Å; V473-E513 HydrophobicContact CG2-CB 4.05Å; V473-A514 HydrophobicContact CG1-CB 4.45Å; V473-A514 HydrophobicContact CG2-CB 3.84Å |
| 474 | S | 93.8 | Very high | 96.2 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.3 | -13.9 | 177.6 | 77.3 | 0 | 0 | 0 | 0 | 114.5 | H470 W471 | H470-S474 PolarHBondContact O-N 2.99Å; W471-S474 PolarHBondContact O-N 3.09Å; W471-S474 PolarHBondContact O-OG 3.41Å |
| 475 | Q | 96.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -93.1 | 166.2 | -179.1 | -62 | -45.1 | -64.7 | 0 | 0 | 112.5 | W471 V472 V473 P477 Y480 | W471-Q475 HydrophobicContact CD2-CG 4.19Å; W471-Q475 HydrophobicContact CE3-CG 4.31Å; W471-Q475 HydrophobicContact CH2-CG 4.05Å; W471-Q475 HydrophobicContact CZ2-CG 3.91Å; W471-Q475 HydrophobicContact CZ3-CG 4.23Å; W471-Q475 WeakPolarHBondContact O-CG 3.44Å; W471-Q475 PolarHBondContact O-N 3.12Å; V472-Q475 PolarHBondContact O-N 3.44Å; V473-Q475 PolarHBondContact O-N 3.15Å; Q475-P477 WeakPolarHBondContact O-CD 3.38Å; Q475-Y480 HydrophobicContact CB-CD2 3.65Å; Q475-Y480 HydrophobicContact CB-CE2 4.14Å; Q475-Y480 HydrophobicContact CG-CD2 3.93Å; Q475-Y480 HydrophobicContact CG-CE2 4.13Å |
| 476 | P | 95.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 47% | 0.468 | 23% | 0.226 | S | C | . | . | trans | -54.1 | 123.5 | 174.5 | -27.4 | 36.1 | 0 | 0 | 0 | 112.3 | D478 I479 | P476-D478 VanDerWaalsContact C-N 3.3Å; P476-D478 PolarHBondContact O-N 3.33Å; P476-D478 VanDerWaalsContact O-N 3.11Å; P476-I479 HydrophobicContact CB-CD1 3.89Å; P476-I479 HydrophobicContact CB-CG1 4.16Å; P476-I479 HydrophobicContact CG-CD1 4.08Å; P476-I479 PolarHBondContact O-N 3.37Å | ||
| 477 | P | 91.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 29% | 0.292 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.1 | -166.8 | -31.4 | 34.9 | 0 | 0 | 0 | 115.5 | Q475 I479 L481 K482 | Q475-P477 WeakPolarHBondContact O-CD 3.38Å; P477-I479 PolarHBondContact O-N 2.88Å; P477-L481 HydrophobicContact CB-CD2 4.38Å; P477-L481 PolarHBondContact O-N 3.04Å; P477-K482 WeakPolarHBondContact O-CB 3.43Å; P477-K482 PolarHBondContact O-N 3.22Å |
| 478 | D | 94.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 40 Ų | 40 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.1 | -177.6 | -76.3 | -52.7 | 0 | 0 | 0 | 114 | P476 K482 | P476-D478 VanDerWaalsContact C-N 3.3Å; P476-D478 PolarHBondContact O-N 3.33Å; P476-D478 VanDerWaalsContact O-N 3.11Å; D478-K482 WeakPolarHBondContact OD1-CD 3.5Å; D478-K482 IonicContact OD1-NZ 3.01Å; D478-K482 PolarHBondContact OD1-NZ 2.93Å |
| 479 | I | 95.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 40 Ų | 40 | 48% | 0.482 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -46.3 | -175.3 | -54.6 | 179.7 | 0 | 0 | 0 | 111.4 | P476 P477 | P476-I479 HydrophobicContact CB-CD1 3.89Å; P476-I479 HydrophobicContact CB-CG1 4.16Å; P476-I479 HydrophobicContact CG-CD1 4.08Å; P476-I479 PolarHBondContact O-N 3.37Å; P477-I479 PolarHBondContact O-N 2.88Å |
| 480 | Y | 97.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -54.2 | -171.6 | -55.2 | -73.6 | 0 | 0 | 0 | 112.9 | I443 P444 W471 Q475 K482 P483 L484 | I443-Y480 HydrophobicContact CB-CD1 4.49Å; I443-Y480 HydrophobicContact CG2-CD1 4.09Å; P444-Y480 HydrophobicContact CG-CD1 4.18Å; P444-Y480 HydrophobicContact CG-CE1 3.74Å; W471-Y480 HydrophobicContact CH2-CD2 4.22Å; W471-Y480 HydrophobicContact CH2-CE1 4.24Å; W471-Y480 AromaticContact CH2-CE2 3.87Å; W471-Y480 HydrophobicContact CH2-CE2 3.87Å; W471-Y480 AromaticContact CH2-CZ 3.89Å; W471-Y480 HydrophobicContact CZ3-CD1 4.33Å; W471-Y480 HydrophobicContact CZ3-CD2 4.23Å; W471-Y480 HydrophobicContact CZ3-CE1 4.43Å; W471-Y480 HydrophobicContact CZ3-CE2 4.33Å; W471-Y480 HydrophobicContact CZ3-CG 4.23Å; Q475-Y480 HydrophobicContact CB-CD2 3.65Å; Q475-Y480 HydrophobicContact CB-CE2 4.14Å; Q475-Y480 HydrophobicContact CG-CD2 3.93Å; Q475-Y480 HydrophobicContact CG-CE2 4.13Å; Y480-K482 PolarHBondContact O-N 2.91Å; Y480-P483 WeakPolarHBondContact O-CD 3.49Å; Y480-L484 WeakPolarHBondContact O-CB 3.48Å; Y480-L484 PolarHBondContact O-N 3.5Å |
| 481 | L | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -52 | -176.1 | 176.5 | 59.3 | 0 | 0 | 0 | 112.4 | V472 V473 P477 L484 M485 L510 E517 | V472-L481 HydrophobicContact CG1-CB 4.07Å; V472-L481 HydrophobicContact CG1-CD1 4.46Å; V473-L481 HydrophobicContact CG2-CD1 4.14Å; P477-L481 HydrophobicContact CB-CD2 4.38Å; P477-L481 PolarHBondContact O-N 3.04Å; L481-L484 PolarHBondContact O-N 3.17Å; L481-M485 VanDerWaalsContact O-CB 3.24Å; L481-M485 WeakPolarHBondContact O-CB 3.42Å; L481-M485 PolarHBondContact O-N 3.17Å; L481-L510 HydrophobicContact CD1-CD1 3.79Å; L481-L510 HydrophobicContact CD1-CD2 4.22Å; L481-L510 HydrophobicContact CD1-CG 4.26Å; L481-E517 HydrophobicContact CD2-CB 4.36Å |
| 482 | K | 97.8 | Very high | 97 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.5 | -46.9 | -177 | 175.9 | -176 | -176 | 178.4 | 0 | 112.9 | P477 D478 Y480 T486 Y521 | P477-K482 WeakPolarHBondContact O-CB 3.43Å; P477-K482 PolarHBondContact O-N 3.22Å; D478-K482 WeakPolarHBondContact OD1-CD 3.5Å; D478-K482 IonicContact OD1-NZ 3.01Å; D478-K482 PolarHBondContact OD1-NZ 2.93Å; Y480-K482 PolarHBondContact O-N 2.91Å; K482-T486 VanDerWaalsContact O-CB 3.32Å; K482-T486 WeakPolarHBondContact O-CB 3.43Å; K482-T486 PolarHBondContact O-N 3.01Å; K482-T486 PolarHBondContact O-OG1 3.28Å; K482-Y521 HydrophobicContact CD-CE1 4.15Å; K482-Y521 HydrophobicContact CG-CE1 4.23Å |
| 483 | P | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 171.1 | -27.8 | 36 | 0 | 0 | 0 | 113.6 | I447 Y480 T486 E487 | I447-P483 HydrophobicContact CD1-CB 4.35Å; Y480-P483 WeakPolarHBondContact O-CD 3.49Å; P483-T486 PolarHBondContact O-N 3.1Å; P483-E487 PolarHBondContact O-N 3.26Å |
| 484 | L | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -56.9 | 178.3 | 174.3 | 59.8 | 0 | 0 | 0 | 111.3 | I447 L450 L465 V472 Y480 L481 T486 E487 L488 L510 | I447-L484 HydrophobicContact CD1-CB 4.02Å; I447-L484 HydrophobicContact CG1-CB 4.35Å; I447-L484 HydrophobicContact CG1-CD1 4.13Å; L450-L484 HydrophobicContact CD1-CD1 4.38Å; L465-L484 HydrophobicContact CB-CD1 4.03Å; L465-L484 HydrophobicContact CD1-CD1 3.63Å; L465-L484 HydrophobicContact CD2-CD1 4.01Å; L465-L484 HydrophobicContact CG-CD1 4.1Å; V472-L484 HydrophobicContact CB-CD2 4.34Å; V472-L484 HydrophobicContact CG1-CD2 3.83Å; V472-L484 HydrophobicContact CG2-CD2 4.21Å; Y480-L484 WeakPolarHBondContact O-CB 3.48Å; Y480-L484 PolarHBondContact O-N 3.5Å; L481-L484 PolarHBondContact O-N 3.17Å; L484-T486 PolarHBondContact O-N 3.16Å; L484-E487 PolarHBondContact O-N 3.3Å; L484-E487 VanDerWaalsContact O-N 3.16Å; L484-L488 HydrophobicContact CD1-CD1 3.76Å; L484-L488 HydrophobicContact CD1-CG 3.91Å; L484-L488 HydrophobicContact CG-CD1 3.92Å; L484-L488 HydrophobicContact CG-CG 4.43Å; L484-L488 WeakPolarHBondContact O-CB 3.4Å; L484-L488 PolarHBondContact O-N 3.12Å; L484-L510 HydrophobicContact CD2-CD1 4.27Å; L484-L510 HydrophobicContact CD2-CD2 4.22Å; L484-L510 HydrophobicContact CG-CD2 4.28Å |
| 485 | M | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.2 | -44.8 | 176.2 | 175.5 | -164.3 | 73.2 | 0 | 0 | 110.8 | L481 E487 L488 L489 F507 L510 L518 Y521 F524 I525 | L481-M485 VanDerWaalsContact O-CB 3.24Å; L481-M485 WeakPolarHBondContact O-CB 3.42Å; L481-M485 PolarHBondContact O-N 3.17Å; M485-E487 PolarHBondContact O-N 3.23Å; M485-L488 PolarHBondContact O-N 3.38Å; M485-L489 HydrophobicContact CG-CD1 3.98Å; M485-L489 HydrophobicContact CG-CG 4.45Å; M485-L489 WeakPolarHBondContact O-CB 3.21Å; M485-L489 WeakPolarHBondContact O-CG 3.32Å; M485-L489 PolarHBondContact O-N 3Å; M485-F507 HydrophobicContact CG-CE2 3.9Å; M485-F507 HydrophobicContact CG-CZ 4.4Å; M485-L510 HydrophobicContact CB-CD2 4.39Å; M485-L518 HydrophobicContact SD-CD2 4.28Å; M485-Y521 HydrophobicContact CE-CD1 3.74Å; M485-Y521 HydrophobicContact CE-CD2 3.98Å; M485-Y521 HydrophobicContact CE-CE1 4.35Å; M485-Y521 HydrophobicContact CE-CG 3.52Å; M485-Y521 HydrophobicContact SD-CD2 3.79Å; M485-Y521 HydrophobicContact SD-CG 3.74Å; M485-F524 HydrophobicContact CE-CD1 4.47Å; M485-I525 HydrophobicContact SD-CD1 4.09Å; M485-I525 HydrophobicContact SD-CG1 4.27Å |
| 486 | T | 98.5 | Very high | 97.1 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | K482 P483 L484 K490 | K482-T486 VanDerWaalsContact O-CB 3.32Å; K482-T486 WeakPolarHBondContact O-CB 3.43Å; K482-T486 PolarHBondContact O-N 3.01Å; K482-T486 PolarHBondContact O-OG1 3.28Å; P483-T486 PolarHBondContact O-N 3.1Å; L484-T486 PolarHBondContact O-N 3.16Å; T486-K490 WeakPolarHBondContact O-CG 3.48Å; T486-K490 PolarHBondContact O-N 3.21Å |
| 487 | E | 98.6 | Very high | 97 | Very high | 38 Ų | 38 | 36 Ų | 36 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.5 | -35.8 | 179.6 | -64.9 | -53.3 | 134.9 | 0 | 0 | 112.2 | I447 L450 P483 L484 M485 K490 R491 | I447-E487 HydrophobicContact CG2-CB 4.32Å; I447-E487 HydrophobicContact CG2-CG 3.85Å; L450-E487 HydrophobicContact CB-CB 4.47Å; L450-E487 HydrophobicContact CD1-CB 3.7Å; P483-E487 PolarHBondContact O-N 3.26Å; L484-E487 PolarHBondContact O-N 3.3Å; L484-E487 VanDerWaalsContact O-N 3.16Å; M485-E487 PolarHBondContact O-N 3.23Å; E487-K490 VanDerWaalsContact CD-NZ 3.3Å; E487-K490 WeakPolarHBondContact O-CB 3.49Å; E487-K490 PolarHBondContact O-N 2.91Å; E487-K490 IonicContact OE1-NZ 2.74Å; E487-K490 PolarHBondContact OE1-NZ 3.48Å; E487-K490 WeakPolarHBondContact OE2-CD 3.45Å; E487-K490 IonicContact OE2-NZ 3.18Å; E487-K490 PolarHBondContact OE2-NZ 3.16Å; E487-R491 WeakPolarHBondContact O-CG 3.46Å; E487-R491 PolarHBondContact O-N 3.06Å; E487-R491 VanDerWaalsContact O-N 3.12Å |
| 488 | L | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 173.3 | -81 | 178 | 0 | 0 | 0 | 111.9 | L450 C462 L484 M485 K490 R491 I492 A506 F507 L510 | L450-L488 HydrophobicContact CD1-CD2 4.21Å; L450-L488 HydrophobicContact CD1-CG 4.28Å; L450-L488 HydrophobicContact CD2-CD2 4.2Å; C462-L488 HydrophobicContact CB-CD2 4.23Å; L484-L488 HydrophobicContact CD1-CD1 3.76Å; L484-L488 HydrophobicContact CD1-CG 3.91Å; L484-L488 HydrophobicContact CG-CD1 3.92Å; L484-L488 HydrophobicContact CG-CG 4.43Å; L484-L488 WeakPolarHBondContact O-CB 3.4Å; L484-L488 PolarHBondContact O-N 3.12Å; M485-L488 PolarHBondContact O-N 3.38Å; L488-K490 PolarHBondContact O-N 3.5Å; L488-R491 CarbonylContact O-C 3.58Å; L488-R491 WeakPolarHBondContact O-CA 3.16Å; L488-R491 WeakPolarHBondContact O-CB 3.48Å; L488-R491 PolarHBondContact O-N 3.1Å; L488-I492 PolarHBondContact O-N 3.07Å; L488-A506 HydrophobicContact CD2-CB 4.38Å; L488-F507 HydrophobicContact CB-CD2 4.28Å; L488-F507 HydrophobicContact CD1-CD2 4.41Å; L488-L510 HydrophobicContact CD1-CD2 4.05Å |
| 489 | L | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -33.5 | 175.5 | -71.3 | 173.2 | 0 | 0 | 0 | 112.1 | M485 R491 I492 F507 F524 I525 T528 | M485-L489 HydrophobicContact CG-CD1 3.98Å; M485-L489 HydrophobicContact CG-CG 4.45Å; M485-L489 WeakPolarHBondContact O-CB 3.21Å; M485-L489 WeakPolarHBondContact O-CG 3.32Å; M485-L489 PolarHBondContact O-N 3Å; L489-R491 VanDerWaalsContact C-N 3.3Å; L489-R491 PolarHBondContact O-N 3.19Å; L489-I492 HydrophobicContact CD2-CD1 3.97Å; L489-F507 HydrophobicContact CD2-CD1 4.37Å; L489-F507 HydrophobicContact CD2-CD2 4.48Å; L489-F507 HydrophobicContact CD2-CE1 3.84Å; L489-F507 HydrophobicContact CD2-CE2 4.01Å; L489-F507 HydrophobicContact CD2-CZ 3.67Å; L489-F507 HydrophobicContact CG-CE2 4.21Å; L489-F507 HydrophobicContact CG-CZ 4.26Å; L489-F524 HydrophobicContact CD1-CD1 3.54Å; L489-F524 HydrophobicContact CD1-CE1 3.37Å; L489-F524 HydrophobicContact CD1-CG 4.43Å; L489-F524 HydrophobicContact CD1-CZ 4.13Å; L489-I525 HydrophobicContact CD1-CG1 4.08Å; L489-I525 HydrophobicContact CD2-CG2 4.41Å; L489-T528 HydrophobicContact CB-CG2 4.01Å; L489-T528 HydrophobicContact CD2-CG2 3.99Å; L489-T528 VanDerWaalsContact O-CG2 3.3Å; L489-T528 WeakPolarHBondContact O-CG2 3.39Å |
| 490 | K | 98.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 26.4 Ų | 26.4 | 41% | 0.409 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -70.7 | -24.7 | 171.4 | -66.4 | 173.2 | -171.4 | 168 | 0 | 113.3 | T486 E487 L488 | T486-K490 WeakPolarHBondContact O-CG 3.48Å; T486-K490 PolarHBondContact O-N 3.21Å; E487-K490 VanDerWaalsContact CD-NZ 3.3Å; E487-K490 WeakPolarHBondContact O-CB 3.49Å; E487-K490 PolarHBondContact O-N 2.91Å; E487-K490 IonicContact OE1-NZ 2.74Å; E487-K490 PolarHBondContact OE1-NZ 3.48Å; E487-K490 WeakPolarHBondContact OE2-CD 3.45Å; E487-K490 IonicContact OE2-NZ 3.18Å; E487-K490 PolarHBondContact OE2-NZ 3.16Å; L488-K490 PolarHBondContact O-N 3.5Å |
| 491 | R | 98.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 27 Ų | 27 | 17% | 0.17 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84 | -29.5 | 175.9 | -65.7 | -50.2 | 87.7 | -173.8 | -23.9 | 112.8 | L450 R458 E487 L488 L489 L493 D494 V499 A503 | L450-R491 HydrophobicContact CB-CG 4.17Å; L450-R491 HydrophobicContact CD2-CG 4.21Å; L450-R491 VanDerWaalsContact O-CD 3.23Å; L450-R491 WeakPolarHBondContact O-CD 3.21Å; R458-R491 VanDerWaalsContact CD-NH1 3.34Å; E487-R491 WeakPolarHBondContact O-CG 3.46Å; E487-R491 PolarHBondContact O-N 3.06Å; E487-R491 VanDerWaalsContact O-N 3.12Å; L488-R491 CarbonylContact O-C 3.58Å; L488-R491 WeakPolarHBondContact O-CA 3.16Å; L488-R491 WeakPolarHBondContact O-CB 3.48Å; L488-R491 PolarHBondContact O-N 3.1Å; L489-R491 VanDerWaalsContact C-N 3.3Å; L489-R491 PolarHBondContact O-N 3.19Å; R491-L493 PolarHBondContact O-N 3.37Å; R491-L493 VanDerWaalsContact O-N 3.15Å; R491-D494 IonicContact CZ-OD2 3.05Å; R491-D494 IonicContact NE-OD2 2.85Å; R491-D494 IonicContact NH1-OD2 3.76Å; R491-D494 PolarHBondContact NH1-OD2 3.16Å; R491-D494 IonicContact NH2-OD2 2.7Å; R491-D494 WeakPolarHBondContact O-CB 3.33Å; R491-D494 PolarHBondContact O-N 3.02Å; R491-V499 HydrophobicContact CB-CG1 4.27Å; R491-A503 HydrophobicContact CB-CB 3.44Å; R491-A503 VanDerWaalsContact CB-CB 3.44Å |
| 492 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.9 | -36.2 | 165.3 | -68.2 | -175.8 | 0 | 0 | 0 | 109.4 | L488 L489 A503 F507 T528 L529 A532 Y536 | L488-I492 PolarHBondContact O-N 3.07Å; L489-I492 HydrophobicContact CD2-CD1 3.97Å; I492-A503 HydrophobicContact CG1-CB 4.18Å; I492-F507 HydrophobicContact CD1-CB 3.92Å; I492-F507 HydrophobicContact CD1-CD1 3.8Å; I492-F507 HydrophobicContact CD1-CG 3.88Å; I492-T528 HydrophobicContact CB-CG2 4.41Å; I492-T528 HydrophobicContact CG2-CG2 4.27Å; I492-L529 HydrophobicContact CD1-CD2 3.91Å; I492-L529 HydrophobicContact CG2-CD2 4.4Å; I492-A532 HydrophobicContact CG2-CB 4.27Å; I492-Y536 WeakPolarHBondContact CG2-OH 3.24Å; I492-Y536 WeakPolarHBondContact O-CE1 3.29Å; I492-Y536 VanDerWaalsContact O-CZ 3.31Å; I492-Y536 PolarHBondContact O-OH 3.4Å |
| 493 | L | 98.2 | Very high | 96.6 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.225 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 24 | 176.3 | -53.6 | -175.4 | 0 | 0 | 0 | 114.3 | R491 T528 F531 A532 K535 | R491-L493 PolarHBondContact O-N 3.37Å; R491-L493 VanDerWaalsContact O-N 3.15Å; L493-T528 HydrophobicContact CD1-CG2 3.9Å; L493-T528 HydrophobicContact CD2-CG2 4.26Å; L493-T528 HydrophobicContact CG-CG2 3.82Å; L493-F531 HydrophobicContact CD1-CD1 3.71Å; L493-F531 HydrophobicContact CD1-CE1 4.31Å; L493-F531 HydrophobicContact CD1-CG 4.44Å; L493-F531 HydrophobicContact CD2-CD1 3.77Å; L493-F531 HydrophobicContact CG-CD1 4.35Å; L493-A532 HydrophobicContact CD2-CB 3.96Å; L493-K535 HydrophobicContact CD2-CD 4.47Å; L493-K535 WeakPolarHBondContact O-CE 3.34Å; L493-K535 PolarHBondContact O-NZ 3.48Å |
| 494 | D | 98 | Very high | 96.4 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | trans | -62 | 161 | 177.2 | -157.5 | -85.1 | 0 | 0 | 0 | 111.8 | R458 R491 N496 V499 Q500 K535 | R458-D494 IonicContact CZ-OD1 3.31Å; R458-D494 IonicContact CZ-OD2 3.54Å; R458-D494 IonicContact NE-OD1 3.41Å; R458-D494 IonicContact NE-OD2 3.79Å; R458-D494 PolarHBondContact NE-OD2 3.07Å; R458-D494 IonicContact NH2-OD1 2.79Å; R458-D494 PolarHBondContact NH2-OD1 3.11Å; R458-D494 IonicContact NH2-OD2 3.06Å; R458-D494 PolarHBondContact NH2-OD2 3.2Å; R491-D494 IonicContact CZ-OD2 3.05Å; R491-D494 IonicContact NE-OD2 2.85Å; R491-D494 IonicContact NH1-OD2 3.76Å; R491-D494 PolarHBondContact NH1-OD2 3.16Å; R491-D494 IonicContact NH2-OD2 2.7Å; R491-D494 WeakPolarHBondContact O-CB 3.33Å; R491-D494 PolarHBondContact O-N 3.02Å; D494-N496 PolarHBondContact OD1-N 3.2Å; D494-V499 HydrophobicContact CB-CB 3.8Å; D494-V499 HydrophobicContact CB-CG1 3.55Å; D494-V499 VanDerWaalsContact CG-CG1 3.45Å; D494-Q500 HydrophobicContact CB-CG 4.44Å; D494-Q500 WeakPolarHBondContact O-CG 3.32Å; D494-Q500 PolarHBondContact O-NE2 2.99Å; D494-K535 WeakPolarHBondContact O-CE 3.45Å; D494-K535 PolarHBondContact O-NZ 2.9Å | ||
| 495 | S | 95.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 24% | 0.238 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -84.6 | -13.9 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | E323 E324 D325 E326 | E323-S495 PolarHBondContact O-OG 3.14Å; E324-S495 WeakPolarHBondContact CA-O 3.38Å; D325-S495 PolarHBondContact N-O 3.37Å; E326-S495 WeakPolarHBondContact CB-O 3.32Å; E326-S495 PolarHBondContact N-O 2.89Å; E326-S495 VanDerWaalsContact OE2-CA 3.27Å; E326-S495 WeakPolarHBondContact OE2-CA 3.09Å |
| 496 | N | 94.3 | Very high | 96 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -99.3 | 128.7 | 174.4 | -179.4 | -80.1 | 0 | 0 | 0 | 110.7 | I322 D325 A455 D494 R498 V499 Q500 | I322-N496 PolarHBondContact O-ND2 3.03Å; D325-N496 VanDerWaalsContact OD1-CA 3.25Å; D325-N496 WeakPolarHBondContact OD1-CA 3.38Å; A455-N496 HydrophobicContact CB-CB 3.99Å; D494-N496 PolarHBondContact OD1-N 3.2Å; N496-R498 PolarHBondContact O-N 2.81Å; N496-R498 WeakPolarHBondContact OD1-CA 3.41Å; N496-R498 WeakPolarHBondContact OD1-CB 3.18Å; N496-R498 PolarHBondContact OD1-N 2.79Å; N496-V499 HydrophobicContact CB-CB 4.29Å; N496-V499 HydrophobicContact CB-CG2 3.95Å; N496-V499 PolarHBondContact O-N 3.33Å; N496-V499 VanDerWaalsContact O-N 3.16Å; N496-V499 PolarHBondContact OD1-N 3.03Å; N496-V499 VanDerWaalsContact OD1-N 3.14Å; N496-Q500 WeakPolarHBondContact O-CG 3.48Å; N496-Q500 PolarHBondContact O-N 3.11Å |
| 497 | K | 92.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 11% | 0.113 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | -176.7 | -68.5 | -172.2 | -63 | 177.1 | 0 | 113.5 | D325 I328 D330 V499 Q500 E501 Q537 N540 | D325-K497 PolarHBondContact OD1-N 3.01Å; D325-K497 WeakPolarHBondContact OD2-CE 3.48Å; I328-K497 PolarHBondContact O-NZ 2.91Å; D330-K497 IonicContact OD1-NZ 2.66Å; D330-K497 PolarHBondContact OD1-NZ 3Å; K497-V499 VanDerWaalsContact C-N 3.31Å; K497-V499 PolarHBondContact O-N 3.28Å; K497-Q500 WeakPolarHBondContact O-CB 3.43Å; K497-Q500 PolarHBondContact O-N 2.91Å; K497-E501 PolarHBondContact O-N 3.43Å; K497-Q537 HydrophobicContact CD-CB 4.34Å; K497-Q537 HydrophobicContact CD-CG 4.12Å; K497-N540 PolarHBondContact O-ND2 3.14Å |
| 498 | R | 90.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 21.2 Ų | 21.2 | 19% | 0.192 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.7 | -34.2 | 174.7 | 171.7 | 174.3 | -93.1 | 120.3 | 6.3 | 111.8 | L318 D371 N496 A502 | L318-R498 VanDerWaalsContact CD2-NH2 3.33Å; D371-R498 IonicContact OD2-NH2 2.91Å; D371-R498 PolarHBondContact OD2-NH2 2.6Å; N496-R498 PolarHBondContact O-N 2.81Å; N496-R498 WeakPolarHBondContact OD1-CA 3.41Å; N496-R498 WeakPolarHBondContact OD1-CB 3.18Å; N496-R498 PolarHBondContact OD1-N 2.79Å; R498-A502 WeakPolarHBondContact O-CB 3.41Å; R498-A502 PolarHBondContact O-N 3.32Å |
| 499 | V | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.1 | -38 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | A455 R458 R491 D494 N496 K497 A503 | A455-V499 HydrophobicContact CB-CG2 3.83Å; A455-V499 VanDerWaalsContact O-CG2 3.29Å; A455-V499 WeakPolarHBondContact O-CG2 3.21Å; R458-V499 HydrophobicContact CB-CG1 3.94Å; R458-V499 HydrophobicContact CB-CG2 4.03Å; R491-V499 HydrophobicContact CB-CG1 4.27Å; D494-V499 HydrophobicContact CB-CB 3.8Å; D494-V499 HydrophobicContact CB-CG1 3.55Å; D494-V499 VanDerWaalsContact CG-CG1 3.45Å; N496-V499 HydrophobicContact CB-CB 4.29Å; N496-V499 HydrophobicContact CB-CG2 3.95Å; N496-V499 PolarHBondContact O-N 3.33Å; N496-V499 VanDerWaalsContact O-N 3.16Å; N496-V499 PolarHBondContact OD1-N 3.03Å; N496-V499 VanDerWaalsContact OD1-N 3.14Å; K497-V499 VanDerWaalsContact C-N 3.31Å; K497-V499 PolarHBondContact O-N 3.28Å; V499-A503 WeakPolarHBondContact O-CB 3.25Å; V499-A503 PolarHBondContact O-N 2.91Å |
| 500 | Q | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 174.1 | -67.5 | 170.1 | 2.1 | 0 | 0 | 111.2 | D494 N496 K497 A503 C504 Y536 N540 | D494-Q500 HydrophobicContact CB-CG 4.44Å; D494-Q500 WeakPolarHBondContact O-CG 3.32Å; D494-Q500 PolarHBondContact O-NE2 2.99Å; N496-Q500 WeakPolarHBondContact O-CG 3.48Å; N496-Q500 PolarHBondContact O-N 3.11Å; K497-Q500 WeakPolarHBondContact O-CB 3.43Å; K497-Q500 PolarHBondContact O-N 2.91Å; Q500-A503 PolarHBondContact O-N 2.85Å; Q500-C504 VanDerWaalsContact O-CB 3.3Å; Q500-C504 WeakPolarHBondContact O-CB 3.45Å; Q500-C504 PolarHBondContact O-N 3.16Å; Q500-Y536 HydrophobicContact CB-CE1 3.87Å; Q500-Y536 HydrophobicContact CG-CE1 3.79Å; Q500-N540 WeakPolarHBondContact CB-ND2 3.44Å; Q500-N540 PolarHBondContact OE1-ND2 2.88Å |
| 501 | E | 93.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.2 | -60.2 | 175.1 | 164.1 | 167.4 | -152.9 | 0 | 0 | 111 | K497 A503 C504 S505 K539 I543 | K497-E501 PolarHBondContact O-N 3.43Å; E501-A503 VanDerWaalsContact C-N 3.26Å; E501-A503 PolarHBondContact O-N 3.47Å; E501-C504 PolarHBondContact O-N 3.26Å; E501-C504 VanDerWaalsContact O-N 3.11Å; E501-S505 PolarHBondContact O-N 2.85Å; E501-S505 PolarHBondContact O-OG 3.28Å; E501-K539 WeakPolarHBondContact OE1-CE 3.42Å; E501-K539 IonicContact OE1-NZ 3.72Å; E501-K539 PolarHBondContact OE1-NZ 3.44Å; E501-K539 IonicContact OE2-NZ 2.65Å; E501-K539 PolarHBondContact OE2-NZ 2.84Å; E501-I543 HydrophobicContact CB-CD1 3.86Å; E501-I543 HydrophobicContact CG-CD1 3.51Å |
| 502 | A | 92.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S459 C462 R498 A506 | S459-A502 WeakPolarHBondContact OG-CB 3.48Å; C462-A502 HydrophobicContact CB-CB 4.18Å; C462-A502 WeakPolarHBondContact CB-O 3.43Å; R498-A502 WeakPolarHBondContact O-CB 3.41Å; R498-A502 PolarHBondContact O-N 3.32Å; A502-A506 WeakPolarHBondContact O-CB 3.27Å; A502-A506 PolarHBondContact O-N 3.04Å; A502-A506 VanDerWaalsContact O-N 3.07Å |
| 503 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.5 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | R491 I492 V499 Q500 E501 F507 | R491-A503 HydrophobicContact CB-CB 3.44Å; R491-A503 VanDerWaalsContact CB-CB 3.44Å; I492-A503 HydrophobicContact CG1-CB 4.18Å; V499-A503 WeakPolarHBondContact O-CB 3.25Å; V499-A503 PolarHBondContact O-N 2.91Å; Q500-A503 PolarHBondContact O-N 2.85Å; E501-A503 VanDerWaalsContact C-N 3.26Å; E501-A503 PolarHBondContact O-N 3.47Å; A503-F507 WeakPolarHBondContact O-CB 3.42Å; A503-F507 PolarHBondContact O-N 3.15Å |
| 504 | C | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.2 | -46.4 | 178.1 | -157.8 | 0 | 0 | 0 | 0 | 110.4 | Q500 E501 F507 A508 I543 A547 | Q500-C504 VanDerWaalsContact O-CB 3.3Å; Q500-C504 WeakPolarHBondContact O-CB 3.45Å; Q500-C504 PolarHBondContact O-N 3.16Å; E501-C504 PolarHBondContact O-N 3.26Å; E501-C504 VanDerWaalsContact O-N 3.11Å; C504-F507 PolarHBondContact O-N 2.9Å; C504-F507 VanDerWaalsContact O-N 3.16Å; C504-A508 PolarHBondContact O-N 2.85Å; C504-I543 HydrophobicContact CB-CG2 3.82Å; C504-A547 VanDerWaalsContact SG-CB 3.59Å |
| 505 | S | 92.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 24.3 Ų | 24.3 | 38% | 0.378 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | E501 F507 A508 T509 | E501-S505 PolarHBondContact O-N 2.85Å; E501-S505 PolarHBondContact O-OG 3.28Å; S505-F507 PolarHBondContact O-N 3.22Å; S505-A508 PolarHBondContact O-N 2.81Å; S505-T509 PolarHBondContact O-N 2.88Å; S505-T509 VanDerWaalsContact O-N 3.16Å; S505-T509 PolarHBondContact O-OG1 2.93Å |
| 506 | A | 94.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -28.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C462 L488 A502 L510 | C462-A506 HydrophobicContact CB-CB 3.85Å; C462-A506 VanDerWaalsContact O-CB 3.25Å; C462-A506 WeakPolarHBondContact O-CB 3.4Å; L488-A506 HydrophobicContact CD2-CB 4.38Å; A502-A506 WeakPolarHBondContact O-CB 3.27Å; A502-A506 PolarHBondContact O-N 3.04Å; A502-A506 VanDerWaalsContact O-N 3.07Å; A506-L510 PolarHBondContact O-N 3.32Å |
| 507 | F | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.7 | -37.3 | 176 | -168.3 | -110.8 | 0 | 0 | 0 | 112.1 | M485 L488 L489 I492 A503 C504 S505 L510 E511 I525 | M485-F507 HydrophobicContact CG-CE2 3.9Å; M485-F507 HydrophobicContact CG-CZ 4.4Å; L488-F507 HydrophobicContact CB-CD2 4.28Å; L488-F507 HydrophobicContact CD1-CD2 4.41Å; L489-F507 HydrophobicContact CD2-CD1 4.37Å; L489-F507 HydrophobicContact CD2-CD2 4.48Å; L489-F507 HydrophobicContact CD2-CE1 3.84Å; L489-F507 HydrophobicContact CD2-CE2 4.01Å; L489-F507 HydrophobicContact CD2-CZ 3.67Å; L489-F507 HydrophobicContact CG-CE2 4.21Å; L489-F507 HydrophobicContact CG-CZ 4.26Å; I492-F507 HydrophobicContact CD1-CB 3.92Å; I492-F507 HydrophobicContact CD1-CD1 3.8Å; I492-F507 HydrophobicContact CD1-CG 3.88Å; A503-F507 WeakPolarHBondContact O-CB 3.42Å; A503-F507 PolarHBondContact O-N 3.15Å; C504-F507 PolarHBondContact O-N 2.9Å; C504-F507 VanDerWaalsContact O-N 3.16Å; S505-F507 PolarHBondContact O-N 3.22Å; F507-L510 HydrophobicContact CD2-CD2 4.2Å; F507-L510 HydrophobicContact CE2-CD2 4.25Å; F507-L510 CarbonylContact O-C 3.59Å; F507-L510 WeakPolarHBondContact O-CA 3.34Å; F507-L510 WeakPolarHBondContact O-CB 3.33Å; F507-L510 PolarHBondContact O-N 3.02Å; F507-L510 VanDerWaalsContact O-N 3.1Å; F507-E511 HydrophobicContact CD1-CG 4.16Å; F507-E511 WeakPolarHBondContact CD1-OE1 3.2Å; F507-E511 HydrophobicContact CE1-CG 3.94Å; F507-E511 WeakPolarHBondContact CE1-OE1 3.41Å; F507-E511 HydrophobicContact CZ-CG 4.32Å; F507-E511 WeakPolarHBondContact O-CG 3.47Å; F507-E511 PolarHBondContact O-N 2.98Å; F507-I525 HydrophobicContact CE1-CG2 3.66Å; F507-I525 HydrophobicContact CZ-CD1 4.13Å; F507-I525 HydrophobicContact CZ-CG1 4.02Å; F507-I525 HydrophobicContact CZ-CG2 3.84Å |
| 508 | A | 92.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 29 Ų | 29 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C504 S505 L510 E511 E512 A547 T550 | C504-A508 PolarHBondContact O-N 2.85Å; S505-A508 PolarHBondContact O-N 2.81Å; A508-L510 VanDerWaalsContact C-N 3.27Å; A508-L510 PolarHBondContact O-N 2.69Å; A508-E511 WeakPolarHBondContact O-CA 3.32Å; A508-E511 VanDerWaalsContact O-CB 3.32Å; A508-E511 WeakPolarHBondContact O-CB 3.47Å; A508-E511 PolarHBondContact O-N 3.18Å; A508-E512 PolarHBondContact O-N 3.48Å; A508-A547 HydrophobicContact CB-CB 4.39Å; A508-T550 HydrophobicContact CB-CG2 4.43Å |
| 509 | T | 91.4 | Very high | 93.8 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 30% | 0.301 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 173.2 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | S505 E511 E513 | S505-T509 PolarHBondContact O-N 2.88Å; S505-T509 VanDerWaalsContact O-N 3.16Å; S505-T509 PolarHBondContact O-OG1 2.93Å; T509-E511 VanDerWaalsContact C-N 3.31Å; T509-E511 PolarHBondContact O-N 2.76Å; T509-E513 PolarHBondContact O-N 2.7Å; T509-E513 VanDerWaalsContact O-N 3.17Å |
| 510 | L | 94.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -32 | 175.4 | -175.7 | 64.4 | 0 | 0 | 0 | 112 | A469 V473 L481 L484 M485 L488 A506 F507 A508 A514 | A469-L510 HydrophobicContact CB-CD1 4Å; V473-L510 HydrophobicContact CG2-CD1 4.03Å; L481-L510 HydrophobicContact CD1-CD1 3.79Å; L481-L510 HydrophobicContact CD1-CD2 4.22Å; L481-L510 HydrophobicContact CD1-CG 4.26Å; L484-L510 HydrophobicContact CD2-CD1 4.27Å; L484-L510 HydrophobicContact CD2-CD2 4.22Å; L484-L510 HydrophobicContact CG-CD2 4.28Å; M485-L510 HydrophobicContact CB-CD2 4.39Å; L488-L510 HydrophobicContact CD1-CD2 4.05Å; A506-L510 PolarHBondContact O-N 3.32Å; F507-L510 HydrophobicContact CD2-CD2 4.2Å; F507-L510 HydrophobicContact CE2-CD2 4.25Å; F507-L510 CarbonylContact O-C 3.59Å; F507-L510 WeakPolarHBondContact O-CA 3.34Å; F507-L510 WeakPolarHBondContact O-CB 3.33Å; F507-L510 PolarHBondContact O-N 3.02Å; F507-L510 VanDerWaalsContact O-N 3.1Å; A508-L510 VanDerWaalsContact C-N 3.27Å; A508-L510 PolarHBondContact O-N 2.69Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 2.96Å |
| 511 | E | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 174.8 | -70.6 | 169.2 | 151.6 | 0 | 0 | 111.5 | F507 A508 T509 E513 A514 C515 L518 T550 L551 S554 | F507-E511 HydrophobicContact CD1-CG 4.16Å; F507-E511 WeakPolarHBondContact CD1-OE1 3.2Å; F507-E511 HydrophobicContact CE1-CG 3.94Å; F507-E511 WeakPolarHBondContact CE1-OE1 3.41Å; F507-E511 HydrophobicContact CZ-CG 4.32Å; F507-E511 WeakPolarHBondContact O-CG 3.47Å; F507-E511 PolarHBondContact O-N 2.98Å; A508-E511 WeakPolarHBondContact O-CA 3.32Å; A508-E511 VanDerWaalsContact O-CB 3.32Å; A508-E511 WeakPolarHBondContact O-CB 3.47Å; A508-E511 PolarHBondContact O-N 3.18Å; T509-E511 VanDerWaalsContact C-N 3.31Å; T509-E511 PolarHBondContact O-N 2.76Å; E511-E513 PolarHBondContact O-N 2.98Å; E511-A514 PolarHBondContact O-N 2.77Å; E511-C515 PolarHBondContact O-N 3.06Å; E511-L518 HydrophobicContact CB-CD1 4Å; E511-L518 HydrophobicContact CG-CD1 3.59Å; E511-T550 HydrophobicContact CB-CG2 3.94Å; E511-L551 HydrophobicContact CG-CD1 4.26Å; E511-L551 WeakPolarHBondContact OE1-CB 3.44Å; E511-L551 WeakPolarHBondContact OE1-CD1 3.46Å; E511-L551 PolarHBondContact OE2-N 3.12Å; E511-S554 VanDerWaalsContact C-OG 3.29Å; E511-S554 PolarHBondContact O-OG 3.19Å; E511-S554 VanDerWaalsContact O-OG 3.06Å |
| 512 | E | 88.6 | Confident | 94.1 | Very high | 94 Ų | 94 | 32.8 Ų | 32.8 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 175.5 | -75.2 | 152.7 | -163.6 | 0 | 0 | 111.7 | A508 C515 T550 | A508-E512 PolarHBondContact O-N 3.48Å; E512-C515 PolarHBondContact O-SG 2.88Å; E512-T550 HydrophobicContact CG-CG2 3.51Å; E512-T550 WeakPolarHBondContact OE1-CG2 3.4Å |
| 513 | E | 88.6 | Confident | 94.3 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 179.6 | -73.8 | -66 | 161.3 | 0 | 0 | 112.9 | A469 H470 V473 T509 E511 | A469-E513 HydrophobicContact CB-CB 4.27Å; A469-E513 HydrophobicContact CB-CG 3.98Å; H470-E513 WeakPolarHBondContact CA-OE2 3.43Å; H470-E513 WeakPolarHBondContact CB-OE2 3.41Å; H470-E513 IonicContact CE1-OE2 2.89Å; H470-E513 IonicContact CG-OE2 3.14Å; H470-E513 IonicContact ND1-OE2 3.77Å; H470-E513 PolarHBondContact ND1-OE2 3.25Å; V473-E513 HydrophobicContact CG2-CB 4.05Å; T509-E513 PolarHBondContact O-N 2.7Å; T509-E513 VanDerWaalsContact O-N 3.17Å; E511-E513 PolarHBondContact O-N 2.98Å |
| 514 | A | 92 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.9 | -28.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V473 L510 E511 T516 E517 L518 | V473-A514 HydrophobicContact CG1-CB 4.45Å; V473-A514 HydrophobicContact CG2-CB 3.84Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 2.96Å; E511-A514 PolarHBondContact O-N 2.77Å; A514-T516 PolarHBondContact O-N 3.33Å; A514-T516 VanDerWaalsContact O-N 3.15Å; A514-E517 HydrophobicContact CB-CB 4.43Å; A514-E517 WeakPolarHBondContact O-CB 3.47Å; A514-E517 WeakPolarHBondContact O-CG 3.45Å; A514-E517 PolarHBondContact O-N 2.95Å; A514-L518 HydrophobicContact CB-CD1 4.09Å; A514-L518 HydrophobicContact CB-CD2 3.69Å; A514-L518 HydrophobicContact CB-CG 3.58Å |
| 515 | C | 93.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | 45.3 | -120.9 | -179.2 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | E511 E512 E517 L518 S554 | E511-C515 PolarHBondContact O-N 3.06Å; E512-C515 PolarHBondContact O-SG 2.88Å; C515-E517 PolarHBondContact O-N 3.19Å; C515-L518 PolarHBondContact O-N 2.65Å; C515-S554 CarbonylContact C-O 3.48Å |
| 516 | T | 92.3 | Very high | 94.8 | Very high | 76 Ų | 76 | 36 Ų | 36 | 47% | 0.466 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -68.8 | -13.7 | -178.2 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | A514 L518 V519 | A514-T516 PolarHBondContact O-N 3.33Å; A514-T516 VanDerWaalsContact O-N 3.15Å; T516-L518 PolarHBondContact O-N 3.19Å; T516-V519 WeakPolarHBondContact O-CB 3.42Å; T516-V519 VanDerWaalsContact O-CG2 3.26Å; T516-V519 WeakPolarHBondContact O-CG2 3.41Å; T516-V519 PolarHBondContact O-N 2.85Å; T516-V519 VanDerWaalsContact O-N 3.15Å |
| 517 | E | 93 | Very high | 95 | Very high | 95 Ų | 95 | 40.4 Ų | 40.4 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -66.1 | -15.6 | 175.3 | -61.9 | -60.5 | 136.7 | 0 | 0 | 112.3 | L481 A514 C515 P520 | L481-E517 HydrophobicContact CD2-CB 4.36Å; A514-E517 HydrophobicContact CB-CB 4.43Å; A514-E517 WeakPolarHBondContact O-CB 3.47Å; A514-E517 WeakPolarHBondContact O-CG 3.45Å; A514-E517 PolarHBondContact O-N 2.95Å; C515-E517 PolarHBondContact O-N 3.19Å; E517-P520 VanDerWaalsContact O-CD 3.27Å; E517-P520 WeakPolarHBondContact O-CD 3.45Å |
| 518 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -82.4 | -17.6 | 174.7 | -61.9 | -175.9 | 0 | 0 | 0 | 114.3 | M485 E511 A514 C515 T516 P520 Y521 L522 I525 L551 V555 | M485-L518 HydrophobicContact SD-CD2 4.28Å; E511-L518 HydrophobicContact CB-CD1 4Å; E511-L518 HydrophobicContact CG-CD1 3.59Å; A514-L518 HydrophobicContact CB-CD1 4.09Å; A514-L518 HydrophobicContact CB-CD2 3.69Å; A514-L518 HydrophobicContact CB-CG 3.58Å; C515-L518 PolarHBondContact O-N 2.65Å; T516-L518 PolarHBondContact O-N 3.19Å; L518-P520 VanDerWaalsContact C-N 3.31Å; L518-Y521 WeakPolarHBondContact O-CA 3.36Å; L518-Y521 PolarHBondContact O-N 3.23Å; L518-L522 PolarHBondContact O-N 2.96Å; L518-I525 HydrophobicContact CB-CD1 4.06Å; L518-I525 HydrophobicContact CD1-CD1 4.41Å; L518-I525 HydrophobicContact CD2-CD1 4.33Å; L518-L551 HydrophobicContact CD1-CD1 4.4Å; L518-V555 HydrophobicContact CB-CG1 4.38Å |
| 519 | V | 97.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -51.8 | -40.2 | -177.5 | 174.1 | 0 | 0 | 0 | 0 | 113.4 | T516 Y521 L522 V555 H558 | T516-V519 WeakPolarHBondContact O-CB 3.42Å; T516-V519 VanDerWaalsContact O-CG2 3.26Å; T516-V519 WeakPolarHBondContact O-CG2 3.41Å; T516-V519 PolarHBondContact O-N 2.85Å; T516-V519 VanDerWaalsContact O-N 3.15Å; V519-Y521 PolarHBondContact O-N 3.47Å; V519-L522 WeakPolarHBondContact O-CB 3.3Å; V519-L522 PolarHBondContact O-N 2.88Å; V519-V555 HydrophobicContact CG2-CB 4.17Å; V519-V555 HydrophobicContact CG2-CG1 4.3Å; V519-H558 HydrophobicContact CG1-CB 4.06Å; V519-H558 HydrophobicContact CG2-CB 3.84Å |
| 520 | P | 97.8 | Very high | 95.6 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -62 | -21.9 | 176.2 | -23.6 | 35.9 | 0 | 0 | 0 | 114.7 | E517 L518 | E517-P520 VanDerWaalsContact O-CD 3.27Å; E517-P520 WeakPolarHBondContact O-CD 3.45Å; L518-P520 VanDerWaalsContact C-N 3.31Å |
| 521 | Y | 97.9 | Very high | 95.8 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -109.4 | 0.1 | -174.4 | -48.1 | -69.7 | 0 | 0 | 0 | 113.2 | K482 M485 L518 V519 A523 F524 I525 | K482-Y521 HydrophobicContact CD-CE1 4.15Å; K482-Y521 HydrophobicContact CG-CE1 4.23Å; M485-Y521 HydrophobicContact CE-CD1 3.74Å; M485-Y521 HydrophobicContact CE-CD2 3.98Å; M485-Y521 HydrophobicContact CE-CE1 4.35Å; M485-Y521 HydrophobicContact CE-CG 3.52Å; M485-Y521 HydrophobicContact SD-CD2 3.79Å; M485-Y521 HydrophobicContact SD-CG 3.74Å; L518-Y521 WeakPolarHBondContact O-CA 3.36Å; L518-Y521 PolarHBondContact O-N 3.23Å; V519-Y521 PolarHBondContact O-N 3.47Å; Y521-A523 VanDerWaalsContact C-N 3.29Å; Y521-A523 PolarHBondContact O-N 3.49Å; Y521-A523 VanDerWaalsContact O-N 3.12Å; Y521-F524 WeakPolarHBondContact O-CB 3.15Å; Y521-F524 PolarHBondContact O-N 3.31Å; Y521-I525 PolarHBondContact O-N 2.94Å; Y521-I525 VanDerWaalsContact O-N 3.14Å |
| 522 | L | 97 | Very high | 96 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.5 | -39.1 | -169 | -172.5 | 55.3 | 0 | 0 | 0 | 114.4 | L518 V519 F524 I525 L526 L551 V555 L559 Y564 | L518-L522 PolarHBondContact O-N 2.96Å; V519-L522 WeakPolarHBondContact O-CB 3.3Å; V519-L522 PolarHBondContact O-N 2.88Å; L522-F524 VanDerWaalsContact C-N 3.33Å; L522-F524 PolarHBondContact O-N 3.18Å; L522-I525 PolarHBondContact O-N 3.34Å; L522-L526 HydrophobicContact CD1-CD1 4.1Å; L522-L526 HydrophobicContact CD1-CG 4.09Å; L522-L526 HydrophobicContact CG-CD1 3.94Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.07Å; L522-L526 VanDerWaalsContact O-CG 3.28Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 2.85Å; L522-L551 HydrophobicContact CD1-CD1 4.04Å; L522-L551 HydrophobicContact CD1-CD2 4.04Å; L522-L551 HydrophobicContact CD1-CG 4.25Å; L522-V555 HydrophobicContact CD1-CG1 4.34Å; L522-V555 HydrophobicContact CD1-CG2 4.35Å; L522-V555 HydrophobicContact CD2-CG2 4.17Å; L522-L559 HydrophobicContact CD1-CD1 4.33Å; L522-L559 HydrophobicContact CD2-CD1 4.22Å; L522-Y564 HydrophobicContact CB-CE2 4.44Å; L522-Y564 HydrophobicContact CD2-CD2 3.8Å; L522-Y564 HydrophobicContact CD2-CE2 3.52Å; L522-Y564 HydrophobicContact CG-CD2 4.27Å; L522-Y564 HydrophobicContact CG-CE2 3.99Å |
| 523 | A | 97.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y521 D527 Y564 | Y521-A523 VanDerWaalsContact C-N 3.29Å; Y521-A523 PolarHBondContact O-N 3.49Å; Y521-A523 VanDerWaalsContact O-N 3.12Å; A523-D527 PolarHBondContact O-N 3.18Å; A523-Y564 HydrophobicContact CB-CE1 3.94Å |
| 524 | F | 98.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.2 | -37.4 | -179.6 | 176.4 | -124.3 | 0 | 0 | 0 | 112.1 | M485 L489 Y521 L522 T528 | M485-F524 HydrophobicContact CE-CD1 4.47Å; L489-F524 HydrophobicContact CD1-CD1 3.54Å; L489-F524 HydrophobicContact CD1-CE1 3.37Å; L489-F524 HydrophobicContact CD1-CG 4.43Å; L489-F524 HydrophobicContact CD1-CZ 4.13Å; Y521-F524 WeakPolarHBondContact O-CB 3.15Å; Y521-F524 PolarHBondContact O-N 3.31Å; L522-F524 VanDerWaalsContact C-N 3.33Å; L522-F524 PolarHBondContact O-N 3.18Å; F524-T528 PolarHBondContact O-N 2.94Å; F524-T528 PolarHBondContact O-OG1 3.12Å |
| 525 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -53 | 173.7 | -63 | 168.7 | 0 | 0 | 0 | 109.3 | M485 L489 F507 L518 Y521 L522 D527 T528 L529 L551 | M485-I525 HydrophobicContact SD-CD1 4.09Å; M485-I525 HydrophobicContact SD-CG1 4.27Å; L489-I525 HydrophobicContact CD1-CG1 4.08Å; L489-I525 HydrophobicContact CD2-CG2 4.41Å; F507-I525 HydrophobicContact CE1-CG2 3.66Å; F507-I525 HydrophobicContact CZ-CD1 4.13Å; F507-I525 HydrophobicContact CZ-CG1 4.02Å; F507-I525 HydrophobicContact CZ-CG2 3.84Å; L518-I525 HydrophobicContact CB-CD1 4.06Å; L518-I525 HydrophobicContact CD1-CD1 4.41Å; L518-I525 HydrophobicContact CD2-CD1 4.33Å; Y521-I525 PolarHBondContact O-N 2.94Å; Y521-I525 VanDerWaalsContact O-N 3.14Å; L522-I525 PolarHBondContact O-N 3.34Å; I525-D527 PolarHBondContact O-N 3.43Å; I525-T528 WeakPolarHBondContact O-CB 3.24Å; I525-T528 PolarHBondContact O-N 2.89Å; I525-L529 HydrophobicContact CG2-CD1 3.94Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 PolarHBondContact O-N 3.41Å; I525-L551 HydrophobicContact CG2-CD1 4.32Å; I525-L551 HydrophobicContact CG2-CD2 3.75Å |
| 526 | L | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | -179.1 | -72.2 | 171 | 0 | 0 | 0 | 112.9 | L522 T528 L529 V530 L551 L559 Y564 M567 L568 | L522-L526 HydrophobicContact CD1-CD1 4.1Å; L522-L526 HydrophobicContact CD1-CG 4.09Å; L522-L526 HydrophobicContact CG-CD1 3.94Å; L522-L526 HydrophobicContact CG-CG 4.39Å; L522-L526 WeakPolarHBondContact O-CB 3.07Å; L522-L526 VanDerWaalsContact O-CG 3.28Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 2.85Å; L526-T528 PolarHBondContact O-N 3.1Å; L526-L529 PolarHBondContact O-N 3.46Å; L526-V530 WeakPolarHBondContact O-CB 3.39Å; L526-V530 VanDerWaalsContact O-CG2 3.22Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 3.04Å; L526-L551 HydrophobicContact CD2-CD2 3.97Å; L526-L559 HydrophobicContact CD1-CD1 3.88Å; L526-L559 HydrophobicContact CD2-CD1 4.19Å; L526-Y564 HydrophobicContact CD1-CD1 3.54Å; L526-Y564 HydrophobicContact CD1-CD2 4.19Å; L526-Y564 HydrophobicContact CD1-CE1 4.36Å; L526-Y564 HydrophobicContact CD1-CG 3.49Å; L526-Y564 VanDerWaalsContact CD1-CG 3.49Å; L526-M567 HydrophobicContact CB-SD 3.82Å; L526-L568 HydrophobicContact CD2-CD1 4.5Å; L526-L568 HydrophobicContact CD2-CD2 4.4Å |
| 527 | D | 98.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.6 | -39.1 | 175 | -88.6 | -18.3 | 0 | 0 | 0 | 111.4 | A523 I525 F531 M567 | A523-D527 PolarHBondContact O-N 3.18Å; I525-D527 PolarHBondContact O-N 3.43Å; D527-F531 VanDerWaalsContact O-CB 3.32Å; D527-F531 WeakPolarHBondContact O-CB 3.14Å; D527-F531 PolarHBondContact O-N 3.49Å; D527-F531 VanDerWaalsContact O-N 3.12Å; D527-M567 WeakPolarHBondContact OD1-CE 3.38Å; D527-M567 VanDerWaalsContact OD1-SD 3.42Å |
| 528 | T | 98.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.7 | -51.5 | -179.9 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | L489 I492 L493 F524 I525 L526 V530 F531 A532 | L489-T528 HydrophobicContact CB-CG2 4.01Å; L489-T528 HydrophobicContact CD2-CG2 3.99Å; L489-T528 VanDerWaalsContact O-CG2 3.3Å; L489-T528 WeakPolarHBondContact O-CG2 3.39Å; I492-T528 HydrophobicContact CB-CG2 4.41Å; I492-T528 HydrophobicContact CG2-CG2 4.27Å; L493-T528 HydrophobicContact CD1-CG2 3.9Å; L493-T528 HydrophobicContact CD2-CG2 4.26Å; L493-T528 HydrophobicContact CG-CG2 3.82Å; F524-T528 PolarHBondContact O-N 2.94Å; F524-T528 PolarHBondContact O-OG1 3.12Å; I525-T528 WeakPolarHBondContact O-CB 3.24Å; I525-T528 PolarHBondContact O-N 2.89Å; L526-T528 PolarHBondContact O-N 3.1Å; T528-V530 VanDerWaalsContact C-N 3.32Å; T528-V530 PolarHBondContact O-N 3.15Å; T528-F531 PolarHBondContact O-N 3.02Å; T528-A532 PolarHBondContact O-N 2.88Å |
| 529 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | -179.8 | -61.3 | -178.8 | 0 | 0 | 0 | 111.4 | I492 I525 L526 F531 A532 F533 L544 I548 L551 | I492-L529 HydrophobicContact CD1-CD2 3.91Å; I492-L529 HydrophobicContact CG2-CD2 4.4Å; I525-L529 HydrophobicContact CG2-CD1 3.94Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 PolarHBondContact O-N 3.41Å; L526-L529 PolarHBondContact O-N 3.46Å; L529-F531 VanDerWaalsContact C-N 3.33Å; L529-F531 PolarHBondContact O-N 3.13Å; L529-A532 WeakPolarHBondContact O-CB 3.44Å; L529-A532 PolarHBondContact O-N 3.44Å; L529-F533 PolarHBondContact O-N 3.31Å; L529-L544 HydrophobicContact CB-CD1 4.17Å; L529-L544 HydrophobicContact CD2-CD1 3.84Å; L529-I548 HydrophobicContact CB-CG1 4.32Å; L529-I548 HydrophobicContact CD1-CG1 3.99Å; L529-L551 HydrophobicContact CD1-CD2 3.77Å |
| 530 | V | 98 | Very high | 96.2 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | L526 T528 A532 F533 M567 L568 P571 | L526-V530 WeakPolarHBondContact O-CB 3.39Å; L526-V530 VanDerWaalsContact O-CG2 3.22Å; L526-V530 WeakPolarHBondContact O-CG2 3.36Å; L526-V530 PolarHBondContact O-N 3.04Å; T528-V530 VanDerWaalsContact C-N 3.32Å; T528-V530 PolarHBondContact O-N 3.15Å; V530-A532 VanDerWaalsContact C-N 3.32Å; V530-F533 PolarHBondContact O-N 3.03Å; V530-M567 HydrophobicContact CB-CG 4.23Å; V530-M567 HydrophobicContact CB-SD 4.39Å; V530-M567 HydrophobicContact CG1-CG 4.11Å; V530-M567 HydrophobicContact CG2-CG 3.92Å; V530-M567 HydrophobicContact CG2-SD 4.13Å; V530-L568 HydrophobicContact CG2-CD1 4.21Å; V530-P571 HydrophobicContact CG1-CG 4.36Å |
| 531 | F | 98.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 36.3 Ų | 36.3 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 173.6 | -173.3 | -90.9 | 0 | 0 | 0 | 112.1 | L493 D527 T528 L529 F533 S534 K535 | L493-F531 HydrophobicContact CD1-CD1 3.71Å; L493-F531 HydrophobicContact CD1-CE1 4.31Å; L493-F531 HydrophobicContact CD1-CG 4.44Å; L493-F531 HydrophobicContact CD2-CD1 3.77Å; L493-F531 HydrophobicContact CG-CD1 4.35Å; D527-F531 VanDerWaalsContact O-CB 3.32Å; D527-F531 WeakPolarHBondContact O-CB 3.14Å; D527-F531 PolarHBondContact O-N 3.49Å; D527-F531 VanDerWaalsContact O-N 3.12Å; T528-F531 PolarHBondContact O-N 3.02Å; L529-F531 VanDerWaalsContact C-N 3.33Å; L529-F531 PolarHBondContact O-N 3.13Å; F531-F533 VanDerWaalsContact C-N 3.25Å; F531-F533 PolarHBondContact O-N 3.22Å; F531-S534 WeakPolarHBondContact O-CB 3.3Å; F531-S534 PolarHBondContact O-N 3.42Å; F531-S534 PolarHBondContact O-OG 2.74Å; F531-K535 HydrophobicContact CE1-CD 4.24Å |
| 532 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -34.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I492 L493 T528 L529 V530 S534 K535 Y536 L544 | I492-A532 HydrophobicContact CG2-CB 4.27Å; L493-A532 HydrophobicContact CD2-CB 3.96Å; T528-A532 PolarHBondContact O-N 2.88Å; L529-A532 WeakPolarHBondContact O-CB 3.44Å; L529-A532 PolarHBondContact O-N 3.44Å; V530-A532 VanDerWaalsContact C-N 3.32Å; A532-S534 PolarHBondContact O-N 2.97Å; A532-K535 PolarHBondContact O-N 2.97Å; A532-Y536 HydrophobicContact CB-CD1 4.1Å; A532-Y536 HydrophobicContact CB-CD2 4.34Å; A532-Y536 HydrophobicContact CB-CE1 3.94Å; A532-Y536 HydrophobicContact CB-CE2 4.21Å; A532-Y536 HydrophobicContact CB-CG 4.32Å; A532-Y536 WeakPolarHBondContact O-CB 3.48Å; A532-Y536 PolarHBondContact O-N 2.97Å; A532-L544 HydrophobicContact CB-CD1 3.96Å; A532-L544 HydrophobicContact CB-CD2 3.73Å |
| 533 | F | 96.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 10% | 0.101 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.1 | -29.6 | 173.2 | -80.8 | -71.9 | 0 | 0 | 0 | 114.7 | L529 V530 F531 L541 L544 Y545 I548 P571 L572 | L529-F533 PolarHBondContact O-N 3.31Å; V530-F533 PolarHBondContact O-N 3.03Å; F531-F533 VanDerWaalsContact C-N 3.25Å; F531-F533 PolarHBondContact O-N 3.22Å; F533-L541 HydrophobicContact CD1-CD1 3.5Å; F533-L541 HydrophobicContact CE1-CD1 3.69Å; F533-L544 HydrophobicContact CD1-CD2 3.99Å; F533-L544 HydrophobicContact CD2-CD2 4.04Å; F533-L544 HydrophobicContact CE1-CD2 4.08Å; F533-L544 HydrophobicContact CE2-CD2 4.17Å; F533-L544 HydrophobicContact CG-CD2 3.95Å; F533-L544 HydrophobicContact CZ-CD2 4.18Å; F533-L544 HydrophobicContact CZ-CG 4.5Å; F533-Y545 HydrophobicContact CE1-CD1 4.16Å; F533-Y545 AromaticContact CE1-CE1 3.55Å; F533-Y545 HydrophobicContact CE1-CE1 3.55Å; F533-Y545 HydrophobicContact CZ-CD1 4.31Å; F533-Y545 HydrophobicContact CZ-CE1 4.07Å; F533-I548 HydrophobicContact CE2-CD1 3.38Å; F533-I548 HydrophobicContact CZ-CD1 3.44Å; F533-I548 VanDerWaalsContact CZ-CD1 3.44Å; F533-P571 HydrophobicContact CB-CB 4.12Å; F533-P571 HydrophobicContact CD1-CB 4.21Å; F533-P571 HydrophobicContact CD2-CB 3.66Å; F533-P571 HydrophobicContact CD2-CG 3.85Å; F533-P571 HydrophobicContact CE2-CB 4.08Å; F533-P571 HydrophobicContact CE2-CG 4.03Å; F533-P571 HydrophobicContact CG-CB 3.73Å; F533-P571 HydrophobicContact CG-CG 4.43Å; F533-L572 HydrophobicContact CE1-CD2 4.4Å; F533-L572 HydrophobicContact CZ-CD2 3.75Å; F533-L572 HydrophobicContact CZ-CG 4.34Å |
| 534 | S | 95.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 33.1 Ų | 33.1 | 65% | 0.65 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -86.2 | -14.1 | 179.5 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | F531 A532 | F531-S534 WeakPolarHBondContact O-CB 3.3Å; F531-S534 PolarHBondContact O-N 3.42Å; F531-S534 PolarHBondContact O-OG 2.74Å; A532-S534 PolarHBondContact O-N 2.97Å |
| 535 | K | 95.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -111.2 | -36.9 | -171.5 | -177.9 | 169.4 | 174.7 | 148.7 | 0 | 112.6 | E326 L493 D494 F531 A532 | E326-K535 WeakPolarHBondContact OE2-CE 3.45Å; E326-K535 IonicContact OE2-NZ 3.12Å; E326-K535 PolarHBondContact OE2-NZ 3.01Å; L493-K535 HydrophobicContact CD2-CD 4.47Å; L493-K535 WeakPolarHBondContact O-CE 3.34Å; L493-K535 PolarHBondContact O-NZ 3.48Å; D494-K535 WeakPolarHBondContact O-CE 3.45Å; D494-K535 PolarHBondContact O-NZ 2.9Å; F531-K535 HydrophobicContact CE1-CD 4.24Å; A532-K535 PolarHBondContact O-N 2.97Å |
| 536 | Y | 96.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | trans | -71.2 | 139.3 | -173.7 | -77.7 | 12.4 | 0 | 0 | 0 | 111.7 | I492 Q500 A532 N540 L544 | I492-Y536 WeakPolarHBondContact CG2-OH 3.24Å; I492-Y536 WeakPolarHBondContact O-CE1 3.29Å; I492-Y536 VanDerWaalsContact O-CZ 3.31Å; I492-Y536 PolarHBondContact O-OH 3.4Å; Q500-Y536 HydrophobicContact CB-CE1 3.87Å; Q500-Y536 HydrophobicContact CG-CE1 3.79Å; A532-Y536 HydrophobicContact CB-CD1 4.1Å; A532-Y536 HydrophobicContact CB-CD2 4.34Å; A532-Y536 HydrophobicContact CB-CE1 3.94Å; A532-Y536 HydrophobicContact CB-CE2 4.21Å; A532-Y536 HydrophobicContact CB-CG 4.32Å; A532-Y536 WeakPolarHBondContact O-CB 3.48Å; A532-Y536 PolarHBondContact O-N 2.97Å; Y536-N540 VanDerWaalsContact CD2-C 3.48Å; Y536-N540 HydrophobicContact CD2-CB 3.63Å; Y536-N540 WeakPolarHBondContact CD2-O 3.47Å; Y536-N540 HydrophobicContact CE2-CB 3.96Å; Y536-N540 HydrophobicContact CG-CB 3.95Å; Y536-L544 HydrophobicContact CD2-CB 3.85Å; Y536-L544 HydrophobicContact CD2-CD2 4.04Å; Y536-L544 HydrophobicContact CD2-CG 4.44Å; Y536-L544 HydrophobicContact CE2-CB 3.96Å; Y536-L544 HydrophobicContact CE2-CD1 4.43Å; Y536-L544 HydrophobicContact CE2-CD2 4.47Å | ||
| 537 | Q | 93.7 | Very high | 94.5 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 24% | 0.243 | 16% | 0.161 | C | C | . | . | trans | -80 | -178.6 | 164.3 | -58.5 | -57.8 | -35.2 | 0 | 0 | 109.7 | E326 D330 K497 K539 L541 | E326-Q537 WeakPolarHBondContact O-CG 3.3Å; E326-Q537 PolarHBondContact O-NE2 3.12Å; D330-Q537 WeakPolarHBondContact OD2-CB 3.4Å; K497-Q537 HydrophobicContact CD-CB 4.34Å; K497-Q537 HydrophobicContact CD-CG 4.12Å; Q537-K539 PolarHBondContact O-N 3.28Å; Q537-L541 VanDerWaalsContact O-CB 3.25Å; Q537-L541 WeakPolarHBondContact O-CB 3.47Å; Q537-L541 PolarHBondContact O-N 3.15Å | ||
| 538 | H | 90 | Very high | 94.4 | Very high | 58 Ų | 58 | 26.7 Ų | 26.7 | 27% | 0.269 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.2 | -47.9 | -169.3 | 177.9 | 105.2 | 0 | 0 | 0 | 113 | D330 I335 N540 L541 L542 D585 | D330-H538 PolarHBondContact OD2-N 2.82Å; I335-H538 HydrophobicContact CD1-CB 4.3Å; I335-H538 WeakPolarHBondContact CD1-CD2 3.33Å; I335-H538 WeakPolarHBondContact CD1-NE2 3.29Å; I335-H538 WeakPolarHBondContact CG2-NE2 3.28Å; H538-N540 PolarHBondContact O-N 2.91Å; H538-L541 WeakPolarHBondContact O-CB 3.46Å; H538-L541 PolarHBondContact O-N 3.12Å; H538-L542 PolarHBondContact O-N 3.07Å; H538-D585 IonicContact CE1-OD1 2.76Å; H538-D585 PolarHBondContact CE1-OD1 2.99Å; H538-D585 IonicContact CE1-OD2 2.83Å; H538-D585 PolarHBondContact CE1-OD2 2.75Å; H538-D585 IonicContact ND1-OD2 2.75Å; H538-D585 PolarHBondContact ND1-OD2 3.42Å; H538-D585 IonicContact NE2-OD1 2.71Å; H538-D585 PolarHBondContact NE2-OD1 3.48Å; H538-D585 IonicContact NE2-OD2 2.72Å |
| 539 | K | 87.8 | Confident | 94.3 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 15% | 0.148 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -54.2 | -177.9 | -174.2 | -173.5 | 179.1 | -162.2 | 0 | 111.3 | D330 D371 E501 Q537 L541 L542 | D330-K539 PolarHBondContact OD2-N 3.12Å; D371-K539 IonicContact OD1-NZ 3.79Å; D371-K539 PolarHBondContact OD1-NZ 3.47Å; D371-K539 VanDerWaalsContact OD1-NZ 3.1Å; E501-K539 WeakPolarHBondContact OE1-CE 3.42Å; E501-K539 IonicContact OE1-NZ 3.72Å; E501-K539 PolarHBondContact OE1-NZ 3.44Å; E501-K539 IonicContact OE2-NZ 2.65Å; E501-K539 PolarHBondContact OE2-NZ 2.84Å; Q537-K539 PolarHBondContact O-N 3.28Å; K539-L541 VanDerWaalsContact C-N 3.28Å; K539-L541 PolarHBondContact O-N 3.11Å; K539-L542 WeakPolarHBondContact O-CB 3.03Å; K539-L542 PolarHBondContact O-N 3.14Å |
| 540 | N | 91.3 | Very high | 94 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.8 | -23.5 | -176.6 | -65.8 | -2.5 | 0 | 0 | 0 | 112.9 | K497 Q500 Y536 H538 L542 I543 L544 | K497-N540 PolarHBondContact O-ND2 3.14Å; Q500-N540 WeakPolarHBondContact CB-ND2 3.44Å; Q500-N540 PolarHBondContact OE1-ND2 2.88Å; Y536-N540 VanDerWaalsContact CD2-C 3.48Å; Y536-N540 HydrophobicContact CD2-CB 3.63Å; Y536-N540 WeakPolarHBondContact CD2-O 3.47Å; Y536-N540 HydrophobicContact CE2-CB 3.96Å; Y536-N540 HydrophobicContact CG-CB 3.95Å; H538-N540 PolarHBondContact O-N 2.91Å; N540-L542 PolarHBondContact O-N 3.02Å; N540-I543 PolarHBondContact O-N 2.94Å; N540-L544 PolarHBondContact O-N 3.18Å |
| 541 | L | 94.2 | Very high | 94 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -32.3 | 174.3 | 179.8 | 65.9 | 0 | 0 | 0 | 111.9 | F533 Q537 H538 K539 L544 Y545 K575 | F533-L541 HydrophobicContact CD1-CD1 3.5Å; F533-L541 HydrophobicContact CE1-CD1 3.69Å; Q537-L541 VanDerWaalsContact O-CB 3.25Å; Q537-L541 WeakPolarHBondContact O-CB 3.47Å; Q537-L541 PolarHBondContact O-N 3.15Å; H538-L541 WeakPolarHBondContact O-CB 3.46Å; H538-L541 PolarHBondContact O-N 3.12Å; K539-L541 VanDerWaalsContact C-N 3.28Å; K539-L541 PolarHBondContact O-N 3.11Å; L541-L544 HydrophobicContact CD1-CD2 4.16Å; L541-L544 WeakPolarHBondContact O-CB 3.31Å; L541-L544 PolarHBondContact O-N 3.08Å; L541-Y545 HydrophobicContact CD1-CE1 4.36Å; L541-Y545 HydrophobicContact CD1-CE2 4.46Å; L541-Y545 HydrophobicContact CD2-CE2 4.38Å; L541-Y545 HydrophobicContact CG-CE2 3.86Å; L541-Y545 VanDerWaalsContact O-CD2 3.25Å; L541-Y545 WeakPolarHBondContact O-CD2 2.98Å; L541-Y545 PolarHBondContact O-N 3.46Å; L541-K575 HydrophobicContact CD2-CD 3.91Å; L541-K575 VanDerWaalsContact CD2-CE 3.44Å |
| 542 | L | 90.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.058 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.7 | -52.2 | -178.1 | 0 | 0 | 0 | 110.5 | H538 K539 N540 L544 Y545 D546 D585 P588 | H538-L542 PolarHBondContact O-N 3.07Å; K539-L542 WeakPolarHBondContact O-CB 3.03Å; K539-L542 PolarHBondContact O-N 3.14Å; N540-L542 PolarHBondContact O-N 3.02Å; L542-L544 VanDerWaalsContact C-N 3.26Å; L542-L544 PolarHBondContact O-N 3.48Å; L542-Y545 HydrophobicContact CD2-CE2 4.42Å; L542-Y545 WeakPolarHBondContact O-CB 3.36Å; L542-Y545 PolarHBondContact O-N 3.37Å; L542-D546 PolarHBondContact O-N 3.08Å; L542-D585 HydrophobicContact CD2-CB 4.4Å; L542-P588 HydrophobicContact CB-CG 4.22Å; L542-P588 HydrophobicContact CD2-CG 3.77Å; L542-P588 HydrophobicContact CG-CG 4.48Å |
| 543 | I | 90.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 177.2 | -51.5 | 177.3 | 0 | 0 | 0 | 111.8 | E501 C504 N540 Y545 D546 A547 | E501-I543 HydrophobicContact CB-CD1 3.86Å; E501-I543 HydrophobicContact CG-CD1 3.51Å; C504-I543 HydrophobicContact CB-CG2 3.82Å; N540-I543 PolarHBondContact O-N 2.94Å; I543-Y545 VanDerWaalsContact C-N 3.31Å; I543-Y545 PolarHBondContact O-N 3.37Å; I543-D546 PolarHBondContact O-N 3.39Å; I543-A547 PolarHBondContact O-N 3.45Å |
| 544 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.4 | -178.4 | 63.1 | 0 | 0 | 0 | 112.2 | L529 A532 F533 Y536 N540 L541 L542 I548 | L529-L544 HydrophobicContact CB-CD1 4.17Å; L529-L544 HydrophobicContact CD2-CD1 3.84Å; A532-L544 HydrophobicContact CB-CD1 3.96Å; A532-L544 HydrophobicContact CB-CD2 3.73Å; F533-L544 HydrophobicContact CD1-CD2 3.99Å; F533-L544 HydrophobicContact CD2-CD2 4.04Å; F533-L544 HydrophobicContact CE1-CD2 4.08Å; F533-L544 HydrophobicContact CE2-CD2 4.17Å; F533-L544 HydrophobicContact CG-CD2 3.95Å; F533-L544 HydrophobicContact CZ-CD2 4.18Å; F533-L544 HydrophobicContact CZ-CG 4.5Å; Y536-L544 HydrophobicContact CD2-CB 3.85Å; Y536-L544 HydrophobicContact CD2-CD2 4.04Å; Y536-L544 HydrophobicContact CD2-CG 4.44Å; Y536-L544 HydrophobicContact CE2-CB 3.96Å; Y536-L544 HydrophobicContact CE2-CD1 4.43Å; Y536-L544 HydrophobicContact CE2-CD2 4.47Å; N540-L544 PolarHBondContact O-N 3.18Å; L541-L544 HydrophobicContact CD1-CD2 4.16Å; L541-L544 WeakPolarHBondContact O-CB 3.31Å; L541-L544 PolarHBondContact O-N 3.08Å; L542-L544 VanDerWaalsContact C-N 3.26Å; L542-L544 PolarHBondContact O-N 3.48Å; L544-I548 HydrophobicContact CD1-CD1 4.22Å; L544-I548 HydrophobicContact CD1-CG1 4.47Å; L544-I548 HydrophobicContact CG-CD1 4.02Å; L544-I548 WeakPolarHBondContact O-CD1 3.47Å; L544-I548 VanDerWaalsContact O-CG1 3.25Å; L544-I548 WeakPolarHBondContact O-CG1 3.32Å; L544-I548 PolarHBondContact O-N 3.2Å; L544-I548 VanDerWaalsContact O-N 3.1Å |
| 545 | Y | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 174.3 | -64.4 | -49.6 | 0 | 0 | 0 | 111 | F533 L541 L542 I543 I548 G549 L572 K575 P588 L589 C592 | F533-Y545 HydrophobicContact CE1-CD1 4.16Å; F533-Y545 AromaticContact CE1-CE1 3.55Å; F533-Y545 HydrophobicContact CE1-CE1 3.55Å; F533-Y545 HydrophobicContact CZ-CD1 4.31Å; F533-Y545 HydrophobicContact CZ-CE1 4.07Å; L541-Y545 HydrophobicContact CD1-CE1 4.36Å; L541-Y545 HydrophobicContact CD1-CE2 4.46Å; L541-Y545 HydrophobicContact CD2-CE2 4.38Å; L541-Y545 HydrophobicContact CG-CE2 3.86Å; L541-Y545 VanDerWaalsContact O-CD2 3.25Å; L541-Y545 WeakPolarHBondContact O-CD2 2.98Å; L541-Y545 PolarHBondContact O-N 3.46Å; L542-Y545 HydrophobicContact CD2-CE2 4.42Å; L542-Y545 WeakPolarHBondContact O-CB 3.36Å; L542-Y545 PolarHBondContact O-N 3.37Å; I543-Y545 VanDerWaalsContact C-N 3.31Å; I543-Y545 PolarHBondContact O-N 3.37Å; Y545-I548 PolarHBondContact O-N 3.32Å; Y545-G549 PolarHBondContact O-N 3.37Å; Y545-L572 HydrophobicContact CD1-CD2 4.05Å; Y545-L572 HydrophobicContact CE1-CD2 4.03Å; Y545-K575 VanDerWaalsContact OH-CB 3.24Å; Y545-K575 WeakPolarHBondContact OH-CB 3.48Å; Y545-K575 WeakPolarHBondContact OH-CG 3.43Å; Y545-P588 WeakPolarHBondContact CB-O 3.5Å; Y545-P588 HydrophobicContact CD2-CB 4.07Å; Y545-P588 HydrophobicContact CD2-CG 4.15Å; Y545-L589 HydrophobicContact CD1-CD1 3.95Å; Y545-L589 HydrophobicContact CD2-CB 4.31Å; Y545-L589 HydrophobicContact CE1-CD1 3.55Å; Y545-L589 HydrophobicContact CE2-CB 4.19Å; Y545-C592 WeakPolarHBondContact O-CB 3.46Å; Y545-C592 PolarHBondContact O-SG 2.95Å |
| 546 | D | 87.9 | Confident | 93.2 | Very high | 47 Ų | 47 | 19.8 Ų | 19.8 | 25% | 0.251 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59.5 | -51.8 | 179.5 | -54 | -22.3 | 0 | 0 | 0 | 109.7 | R338 L542 I543 I548 G549 T550 | R338-D546 IonicContact CZ-OD2 3.52Å; R338-D546 IonicContact NH1-OD1 2.67Å; R338-D546 IonicContact NH1-OD2 3.59Å; R338-D546 PolarHBondContact NH1-OD2 3.19Å; R338-D546 IonicContact NH2-OD2 3.43Å; L542-D546 PolarHBondContact O-N 3.08Å; I543-D546 PolarHBondContact O-N 3.39Å; D546-I548 VanDerWaalsContact C-N 3.32Å; D546-I548 PolarHBondContact O-N 3.34Å; D546-G549 CarbonylContact O-C 3.54Å; D546-G549 WeakPolarHBondContact O-CA 3.38Å; D546-G549 PolarHBondContact O-N 2.8Å; D546-T550 PolarHBondContact O-N 3.44Å; D546-T550 PolarHBondContact O-OG1 3.28Å |
| 547 | A | 93.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.3 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C504 A508 I543 G549 L551 | C504-A547 VanDerWaalsContact SG-CB 3.59Å; A508-A547 HydrophobicContact CB-CB 4.39Å; I543-A547 PolarHBondContact O-N 3.45Å; A547-G549 VanDerWaalsContact C-N 3.35Å; A547-L551 WeakPolarHBondContact O-CB 3.37Å; A547-L551 PolarHBondContact O-N 3.4Å |
| 548 | I | 97.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.4 | -69.5 | 165.7 | 0 | 0 | 0 | 111.4 | L529 F533 L544 Y545 D546 A552 L568 C592 V596 | L529-I548 HydrophobicContact CB-CG1 4.32Å; L529-I548 HydrophobicContact CD1-CG1 3.99Å; F533-I548 HydrophobicContact CE2-CD1 3.38Å; F533-I548 HydrophobicContact CZ-CD1 3.44Å; F533-I548 VanDerWaalsContact CZ-CD1 3.44Å; L544-I548 HydrophobicContact CD1-CD1 4.22Å; L544-I548 HydrophobicContact CD1-CG1 4.47Å; L544-I548 HydrophobicContact CG-CD1 4.02Å; L544-I548 WeakPolarHBondContact O-CD1 3.47Å; L544-I548 VanDerWaalsContact O-CG1 3.25Å; L544-I548 WeakPolarHBondContact O-CG1 3.32Å; L544-I548 PolarHBondContact O-N 3.2Å; L544-I548 VanDerWaalsContact O-N 3.1Å; Y545-I548 PolarHBondContact O-N 3.32Å; D546-I548 VanDerWaalsContact C-N 3.32Å; D546-I548 PolarHBondContact O-N 3.34Å; I548-A552 WeakPolarHBondContact O-CB 3.21Å; I548-A552 PolarHBondContact O-N 2.92Å; I548-L568 HydrophobicContact CD1-CD1 4.15Å; I548-L568 HydrophobicContact CG2-CD1 3.93Å; I548-L568 HydrophobicContact CG2-CD2 4.13Å; I548-C592 VanDerWaalsContact CG2-SG 3.57Å; I548-V596 HydrophobicContact CG2-CG2 4.02Å |
| 549 | G | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -53.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y545 D546 A547 L551 A552 D553 S595 | Y545-G549 PolarHBondContact O-N 3.37Å; D546-G549 CarbonylContact O-C 3.54Å; D546-G549 WeakPolarHBondContact O-CA 3.38Å; D546-G549 PolarHBondContact O-N 2.8Å; A547-G549 VanDerWaalsContact C-N 3.35Å; G549-L551 VanDerWaalsContact C-N 3.34Å; G549-L551 PolarHBondContact O-N 2.99Å; G549-A552 WeakPolarHBondContact O-CA 3.33Å; G549-A552 WeakPolarHBondContact O-CB 3.36Å; G549-A552 PolarHBondContact O-N 3.22Å; G549-D553 PolarHBondContact O-N 3.47Å; G549-S595 WeakPolarHBondContact O-CB 3.48Å |
| 550 | T | 92.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.8 | -44.1 | 177 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | A508 E511 E512 D546 A552 D553 S554 | A508-T550 HydrophobicContact CB-CG2 4.43Å; E511-T550 HydrophobicContact CB-CG2 3.94Å; E512-T550 HydrophobicContact CG-CG2 3.51Å; E512-T550 WeakPolarHBondContact OE1-CG2 3.4Å; D546-T550 PolarHBondContact O-N 3.44Å; D546-T550 PolarHBondContact O-OG1 3.28Å; T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 2.88Å; T550-D553 PolarHBondContact O-N 2.72Å; T550-S554 VanDerWaalsContact O-CB 3.23Å; T550-S554 WeakPolarHBondContact O-CB 3.45Å; T550-S554 PolarHBondContact O-N 3.01Å; T550-S554 PolarHBondContact O-OG 3.1Å |
| 551 | L | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 173.3 | -177.2 | 59.4 | 0 | 0 | 0 | 111.9 | E511 L518 L522 I525 L526 L529 A547 G549 S554 V555 | E511-L551 HydrophobicContact CG-CD1 4.26Å; E511-L551 WeakPolarHBondContact OE1-CB 3.44Å; E511-L551 WeakPolarHBondContact OE1-CD1 3.46Å; E511-L551 PolarHBondContact OE2-N 3.12Å; L518-L551 HydrophobicContact CD1-CD1 4.4Å; L522-L551 HydrophobicContact CD1-CD1 4.04Å; L522-L551 HydrophobicContact CD1-CD2 4.04Å; L522-L551 HydrophobicContact CD1-CG 4.25Å; I525-L551 HydrophobicContact CG2-CD1 4.32Å; I525-L551 HydrophobicContact CG2-CD2 3.75Å; L526-L551 HydrophobicContact CD2-CD2 3.97Å; L529-L551 HydrophobicContact CD1-CD2 3.77Å; A547-L551 WeakPolarHBondContact O-CB 3.37Å; A547-L551 PolarHBondContact O-N 3.4Å; G549-L551 VanDerWaalsContact C-N 3.34Å; G549-L551 PolarHBondContact O-N 2.99Å; L551-S554 PolarHBondContact O-N 3.02Å; L551-V555 HydrophobicContact CD1-CG1 3.85Å; L551-V555 WeakPolarHBondContact O-CG2 3.34Å; L551-V555 PolarHBondContact O-N 3.47Å |
| 552 | A | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I548 G549 T550 G556 L559 V596 A599 | I548-A552 WeakPolarHBondContact O-CB 3.21Å; I548-A552 PolarHBondContact O-N 2.92Å; G549-A552 WeakPolarHBondContact O-CA 3.33Å; G549-A552 WeakPolarHBondContact O-CB 3.36Å; G549-A552 PolarHBondContact O-N 3.22Å; T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 2.88Å; A552-G556 VanDerWaalsContact O-CA 3.25Å; A552-G556 WeakPolarHBondContact O-CA 3.44Å; A552-G556 PolarHBondContact O-N 3.25Å; A552-L559 HydrophobicContact CB-CD2 3.92Å; A552-V596 HydrophobicContact CB-CG2 3.97Å; A552-A599 HydrophobicContact CB-CB 3.95Å; A552-A599 WeakPolarHBondContact O-CB 3.09Å |
| 553 | D | 91.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 35.9 Ų | 35.9 | 54% | 0.54 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.8 | -68.3 | -32.4 | 0 | 0 | 0 | 111.6 | G549 T550 S595 | G549-D553 PolarHBondContact O-N 3.47Å; T550-D553 PolarHBondContact O-N 2.72Å; D553-S595 VanDerWaalsContact OD1-CB 3.23Å; D553-S595 WeakPolarHBondContact OD1-CB 3.32Å; D553-S595 PolarHBondContact OD1-OG 3.5Å; D553-S595 VanDerWaalsContact OD2-CB 3.29Å; D553-S595 WeakPolarHBondContact OD2-CB 3.44Å; D553-S595 PolarHBondContact OD2-OG 3.05Å |
| 554 | S | 90.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | -179.1 | -64.9 | 0 | 0 | 0 | 0 | 113.7 | E511 C515 T550 L551 | E511-S554 VanDerWaalsContact C-OG 3.29Å; E511-S554 PolarHBondContact O-OG 3.19Å; E511-S554 VanDerWaalsContact O-OG 3.06Å; C515-S554 CarbonylContact C-O 3.48Å; T550-S554 VanDerWaalsContact O-CB 3.23Å; T550-S554 WeakPolarHBondContact O-CB 3.45Å; T550-S554 PolarHBondContact O-N 3.01Å; T550-S554 PolarHBondContact O-OG 3.1Å; L551-S554 PolarHBondContact O-N 3.02Å |
| 555 | V | 94.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -94 | -18 | -178 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | L518 V519 L522 L551 H557 H558 L559 | L518-V555 HydrophobicContact CB-CG1 4.38Å; V519-V555 HydrophobicContact CG2-CB 4.17Å; V519-V555 HydrophobicContact CG2-CG1 4.3Å; L522-V555 HydrophobicContact CD1-CG1 4.34Å; L522-V555 HydrophobicContact CD1-CG2 4.35Å; L522-V555 HydrophobicContact CD2-CG2 4.17Å; L551-V555 HydrophobicContact CD1-CG1 3.85Å; L551-V555 WeakPolarHBondContact O-CG2 3.34Å; L551-V555 PolarHBondContact O-N 3.47Å; V555-H557 PolarHBondContact O-N 3.47Å; V555-H558 HydrophobicContact CB-CB 4.43Å; V555-H558 WeakPolarHBondContact O-CB 3.42Å; V555-H558 PolarHBondContact O-N 3.32Å; V555-H558 PolarHBondContact O-ND1 2.88Å; V555-L559 HydrophobicContact CG2-CB 3.91Å |
| 556 | G | 94.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | 50.6 | -132.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A552 H558 L559 | A552-G556 VanDerWaalsContact O-CA 3.25Å; A552-G556 WeakPolarHBondContact O-CA 3.44Å; A552-G556 PolarHBondContact O-N 3.25Å; G556-H558 PolarHBondContact O-N 3.03Å; G556-L559 WeakPolarHBondContact O-CB 3.44Å; G556-L559 PolarHBondContact O-N 3.38Å |
| 557 | H | 95 | Very high | 95.7 | Very high | 117 Ų | 117 | 43.7 Ų | 43.7 | 54% | 0.542 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.8 | -13.2 | -175.8 | 70.9 | -79.6 | 0 | 0 | 0 | 115.4 | V555 L559 N560 A599 | V555-H557 PolarHBondContact O-N 3.47Å; H557-L559 PolarHBondContact O-N 2.76Å; H557-N560 VanDerWaalsContact O-CB 3.29Å; H557-N560 WeakPolarHBondContact O-CB 2.98Å; H557-N560 PolarHBondContact O-N 2.91Å; H557-N560 VanDerWaalsContact O-N 3.08Å; H557-A599 WeakPolarHBondContact CA-O 3.36Å |
| 558 | H | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 29% | 0.292 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -64.6 | -22.5 | 173.5 | -61.3 | 95.9 | 0 | 0 | 0 | 112.8 | V519 V555 G556 N560 | V519-H558 HydrophobicContact CG1-CB 4.06Å; V519-H558 HydrophobicContact CG2-CB 3.84Å; V555-H558 HydrophobicContact CB-CB 4.43Å; V555-H558 WeakPolarHBondContact O-CB 3.42Å; V555-H558 PolarHBondContact O-N 3.32Å; V555-H558 PolarHBondContact O-ND1 2.88Å; G556-H558 PolarHBondContact O-N 3.03Å; H558-N560 PolarHBondContact O-N 3.06Å |
| 559 | L | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -69.3 | -21.5 | 173.8 | -167.1 | 61.8 | 0 | 0 | 0 | 112.5 | L522 L526 A552 V555 G556 H557 K561 Y564 L568 A599 L600 | L522-L559 HydrophobicContact CD1-CD1 4.33Å; L522-L559 HydrophobicContact CD2-CD1 4.22Å; L526-L559 HydrophobicContact CD1-CD1 3.88Å; L526-L559 HydrophobicContact CD2-CD1 4.19Å; A552-L559 HydrophobicContact CB-CD2 3.92Å; V555-L559 HydrophobicContact CG2-CB 3.91Å; G556-L559 WeakPolarHBondContact O-CB 3.44Å; G556-L559 PolarHBondContact O-N 3.38Å; H557-L559 PolarHBondContact O-N 2.76Å; L559-K561 PolarHBondContact O-N 2.77Å; L559-Y564 HydrophobicContact CD1-CD2 4.47Å; L559-L568 HydrophobicContact CD2-CD2 4.27Å; L559-A599 HydrophobicContact CB-CB 4.42Å; L559-A599 HydrophobicContact CD2-CB 4.23Å; L559-L600 HydrophobicContact CB-CD2 4.2Å; L559-L600 HydrophobicContact CD2-CD2 4.23Å; L559-L600 HydrophobicContact CG-CD2 3.88Å; L559-L600 WeakPolarHBondContact O-CD2 3.31Å |
| 560 | N | 97.8 | Very high | 96 | Very high | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | trans | -75.8 | 65 | -178 | -170 | 9 | 0 | 0 | 0 | 112.6 | H557 H558 L600 | H557-N560 VanDerWaalsContact O-CB 3.29Å; H557-N560 WeakPolarHBondContact O-CB 2.98Å; H557-N560 PolarHBondContact O-N 2.91Å; H557-N560 VanDerWaalsContact O-N 3.08Å; H558-N560 PolarHBondContact O-N 3.06Å; N560-L600 HydrophobicContact CB-CD2 4.38Å; N560-L600 PolarHBondContact ND2-O 3.07Å; N560-L600 PolarHBondContact OD1-O 2.66Å | ||
| 561 | K | 97.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | trans | -123.6 | 141.9 | 170.5 | -59.3 | -170.6 | -161.2 | 161.2 | 0 | 110.4 | L559 E563 Y564 I565 | L559-K561 PolarHBondContact O-N 2.77Å; K561-E563 HydrophobicContact CB-CG 4.03Å; K561-E563 PolarHBondContact O-N 2.88Å; K561-E563 VanDerWaalsContact O-N 3.12Å; K561-Y564 HydrophobicContact CB-CD2 3.78Å; K561-Y564 HydrophobicContact CB-CE2 4.06Å; K561-Y564 HydrophobicContact CB-CG 4.29Å; K561-Y564 HydrophobicContact CD-CD2 4.09Å; K561-Y564 HydrophobicContact CD-CE2 3.49Å; K561-Y564 VanDerWaalsContact CD-CE2 3.49Å; K561-Y564 HydrophobicContact CG-CD2 4.04Å; K561-Y564 HydrophobicContact CG-CE2 3.93Å; K561-Y564 PolarHBondContact NZ-OH 3.44Å; K561-Y564 VanDerWaalsContact NZ-OH 3.15Å; K561-Y564 PolarHBondContact O-N 3.15Å; K561-Y564 VanDerWaalsContact O-N 3.07Å; K561-I565 WeakPolarHBondContact O-CG1 3.41Å; K561-I565 PolarHBondContact O-N 3.06Å | ||
| 562 | P | 97.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 61% | 0.61 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -54 | -37 | -178.7 | -28 | 34.9 | 0 | 0 | 0 | 114.1 | Q566 | P562-Q566 VanDerWaalsContact O-CB 3.28Å; P562-Q566 WeakPolarHBondContact O-CB 3.3Å; P562-Q566 WeakPolarHBondContact O-CG 3.19Å; P562-Q566 PolarHBondContact O-N 2.85Å |
| 563 | E | 97 | Very high | 96.1 | Very high | 113 Ų | 113 | 48.5 Ų | 48.5 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.3 | 56.9 | -173.5 | -167.3 | 0 | 0 | 112.9 | K561 M567 | K561-E563 HydrophobicContact CB-CG 4.03Å; K561-E563 PolarHBondContact O-N 2.88Å; K561-E563 VanDerWaalsContact O-N 3.12Å; E563-M567 PolarHBondContact O-N 3.37Å |
| 564 | Y | 98.2 | Very high | 96.3 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.5 | -42.8 | -179.9 | -56.3 | -25.9 | 0 | 0 | 0 | 111.3 | L522 A523 L526 L559 K561 Q566 M567 L568 | L522-Y564 HydrophobicContact CB-CE2 4.44Å; L522-Y564 HydrophobicContact CD2-CD2 3.8Å; L522-Y564 HydrophobicContact CD2-CE2 3.52Å; L522-Y564 HydrophobicContact CG-CD2 4.27Å; L522-Y564 HydrophobicContact CG-CE2 3.99Å; A523-Y564 HydrophobicContact CB-CE1 3.94Å; L526-Y564 HydrophobicContact CD1-CD1 3.54Å; L526-Y564 HydrophobicContact CD1-CD2 4.19Å; L526-Y564 HydrophobicContact CD1-CE1 4.36Å; L526-Y564 HydrophobicContact CD1-CG 3.49Å; L526-Y564 VanDerWaalsContact CD1-CG 3.49Å; L559-Y564 HydrophobicContact CD1-CD2 4.47Å; K561-Y564 HydrophobicContact CB-CD2 3.78Å; K561-Y564 HydrophobicContact CB-CE2 4.06Å; K561-Y564 HydrophobicContact CB-CG 4.29Å; K561-Y564 HydrophobicContact CD-CD2 4.09Å; K561-Y564 HydrophobicContact CD-CE2 3.49Å; K561-Y564 VanDerWaalsContact CD-CE2 3.49Å; K561-Y564 HydrophobicContact CG-CD2 4.04Å; K561-Y564 HydrophobicContact CG-CE2 3.93Å; K561-Y564 PolarHBondContact NZ-OH 3.44Å; K561-Y564 VanDerWaalsContact NZ-OH 3.15Å; K561-Y564 PolarHBondContact O-N 3.15Å; K561-Y564 VanDerWaalsContact O-N 3.07Å; Y564-Q566 VanDerWaalsContact C-N 3.34Å; Y564-Q566 PolarHBondContact O-N 2.92Å; Y564-M567 WeakPolarHBondContact O-CB 3.06Å; Y564-M567 PolarHBondContact O-N 2.98Å; Y564-M567 VanDerWaalsContact O-N 3.13Å; Y564-L568 WeakPolarHBondContact O-CB 3.19Å; Y564-L568 PolarHBondContact O-N 2.88Å |
| 565 | I | 97.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 177.6 | -62.4 | 169.4 | 0 | 0 | 0 | 111 | K561 M567 L568 M569 L600 Y607 | K561-I565 WeakPolarHBondContact O-CG1 3.41Å; K561-I565 PolarHBondContact O-N 3.06Å; I565-M567 PolarHBondContact O-N 3.05Å; I565-L568 PolarHBondContact O-N 3.46Å; I565-M569 HydrophobicContact CG2-CG 3.81Å; I565-M569 WeakPolarHBondContact O-CB 3.1Å; I565-M569 WeakPolarHBondContact O-CG 3.42Å; I565-M569 PolarHBondContact O-N 3.15Å; I565-L600 HydrophobicContact CD1-CD2 4Å; I565-L600 HydrophobicContact CG1-CD1 3.96Å; I565-L600 HydrophobicContact CG1-CD2 3.57Å; I565-L600 HydrophobicContact CG1-CG 4.39Å; I565-Y607 HydrophobicContact CG2-CE2 3.9Å |
| 566 | Q | 95.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 51.3 Ų | 51.3 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.7 | -23.2 | 179.4 | -74.5 | 171.4 | 25.8 | 0 | 0 | 113.1 | P562 Y564 P570 | P562-Q566 VanDerWaalsContact O-CB 3.28Å; P562-Q566 WeakPolarHBondContact O-CB 3.3Å; P562-Q566 WeakPolarHBondContact O-CG 3.19Å; P562-Q566 PolarHBondContact O-N 2.85Å; Y564-Q566 VanDerWaalsContact C-N 3.34Å; Y564-Q566 PolarHBondContact O-N 2.92Å; Q566-P570 WeakPolarHBondContact O-CD 3.32Å; Q566-P570 VanDerWaalsContact O-CG 3.28Å; Q566-P570 WeakPolarHBondContact O-CG 3.25Å |
| 567 | M | 94.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -85 | -46.5 | 177.1 | -165.5 | -164.5 | -72.2 | 0 | 0 | 111.7 | L526 D527 V530 E563 Y564 I565 P571 | L526-M567 HydrophobicContact CB-SD 3.82Å; D527-M567 WeakPolarHBondContact OD1-CE 3.38Å; D527-M567 VanDerWaalsContact OD1-SD 3.42Å; V530-M567 HydrophobicContact CB-CG 4.23Å; V530-M567 HydrophobicContact CB-SD 4.39Å; V530-M567 HydrophobicContact CG1-CG 4.11Å; V530-M567 HydrophobicContact CG2-CG 3.92Å; V530-M567 HydrophobicContact CG2-SD 4.13Å; E563-M567 PolarHBondContact O-N 3.37Å; Y564-M567 WeakPolarHBondContact O-CB 3.06Å; Y564-M567 PolarHBondContact O-N 2.98Å; Y564-M567 VanDerWaalsContact O-N 3.13Å; I565-M567 PolarHBondContact O-N 3.05Å; M567-P571 WeakPolarHBondContact O-CD 3.46Å |
| 568 | L | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -83.5 | -40.2 | -170.1 | -176.4 | 62.4 | 0 | 0 | 0 | 114.1 | L526 V530 I548 L559 Y564 I565 P571 L572 V596 | L526-L568 HydrophobicContact CD2-CD1 4.5Å; L526-L568 HydrophobicContact CD2-CD2 4.4Å; V530-L568 HydrophobicContact CG2-CD1 4.21Å; I548-L568 HydrophobicContact CD1-CD1 4.15Å; I548-L568 HydrophobicContact CG2-CD1 3.93Å; I548-L568 HydrophobicContact CG2-CD2 4.13Å; L559-L568 HydrophobicContact CD2-CD2 4.27Å; Y564-L568 WeakPolarHBondContact O-CB 3.19Å; Y564-L568 PolarHBondContact O-N 2.88Å; I565-L568 PolarHBondContact O-N 3.46Å; L568-P571 WeakPolarHBondContact O-CD 3.21Å; L568-P571 VanDerWaalsContact O-CG 3.24Å; L568-P571 WeakPolarHBondContact O-CG 3.39Å; L568-L572 HydrophobicContact CD1-CD1 4.25Å; L568-L572 HydrophobicContact CG-CD1 3.95Å; L568-V596 HydrophobicContact CD2-CG1 4.49Å; L568-V596 HydrophobicContact CD2-CG2 4.32Å |
| 569 | M | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | -173.6 | -67.5 | -55.3 | -55.8 | 0 | 0 | 114.5 | I565 L572 I573 L593 V596 L600 F604 Y607 | I565-M569 HydrophobicContact CG2-CG 3.81Å; I565-M569 WeakPolarHBondContact O-CB 3.1Å; I565-M569 WeakPolarHBondContact O-CG 3.42Å; I565-M569 PolarHBondContact O-N 3.15Å; M569-L572 PolarHBondContact O-N 3.02Å; M569-L572 HydrophobicContact SD-CD1 4.38Å; M569-I573 HydrophobicContact CE-CD1 4.13Å; M569-I573 HydrophobicContact CE-CG1 4.08Å; M569-I573 WeakPolarHBondContact O-CB 3.11Å; M569-I573 VanDerWaalsContact O-CG1 3.29Å; M569-I573 WeakPolarHBondContact O-CG1 3.44Å; M569-I573 PolarHBondContact O-N 2.77Å; M569-L593 HydrophobicContact CE-CD2 4.39Å; M569-V596 HydrophobicContact SD-CG1 4.05Å; M569-L600 HydrophobicContact CG-CD1 4.44Å; M569-L600 HydrophobicContact SD-CD1 4.03Å; M569-F604 HydrophobicContact CE-CD2 4.22Å; M569-F604 HydrophobicContact CE-CE2 3.49Å; M569-F604 VanDerWaalsContact CE-CE2 3.49Å; M569-F604 HydrophobicContact CE-CZ 4.13Å; M569-F604 HydrophobicContact SD-CD2 4.36Å; M569-F604 HydrophobicContact SD-CE2 3.99Å; M569-Y607 HydrophobicContact CB-CE1 3.85Å; M569-Y607 HydrophobicContact CB-CE2 4.16Å; M569-Y607 HydrophobicContact CE-CD1 4.02Å; M569-Y607 HydrophobicContact CE-CD2 3.94Å; M569-Y607 HydrophobicContact CE-CE1 4.41Å; M569-Y607 HydrophobicContact CE-CE2 4.36Å; M569-Y607 HydrophobicContact CE-CG 3.76Å; M569-Y607 HydrophobicContact CG-CD2 4.21Å; M569-Y607 HydrophobicContact CG-CE1 4.27Å; M569-Y607 HydrophobicContact CG-CE2 3.7Å |
| 570 | P | 97.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.4 | -50 | 179.6 | -25.9 | 35 | 0 | 0 | 0 | 115.4 | Q566 I573 Q574 | Q566-P570 WeakPolarHBondContact O-CD 3.32Å; Q566-P570 VanDerWaalsContact O-CG 3.28Å; Q566-P570 WeakPolarHBondContact O-CG 3.25Å; P570-I573 PolarHBondContact O-N 3.31Å; P570-Q574 WeakPolarHBondContact O-CB 3.44Å; P570-Q574 PolarHBondContact O-N 3.32Å |
| 571 | P | 97.2 | Very high | 96.1 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 178 | 24.6 | -34.2 | 0 | 0 | 0 | 113.2 | V530 F533 M567 L568 Q574 K575 | V530-P571 HydrophobicContact CG1-CG 4.36Å; F533-P571 HydrophobicContact CB-CB 4.12Å; F533-P571 HydrophobicContact CD1-CB 4.21Å; F533-P571 HydrophobicContact CD2-CB 3.66Å; F533-P571 HydrophobicContact CD2-CG 3.85Å; F533-P571 HydrophobicContact CE2-CB 4.08Å; F533-P571 HydrophobicContact CE2-CG 4.03Å; F533-P571 HydrophobicContact CG-CB 3.73Å; F533-P571 HydrophobicContact CG-CG 4.43Å; M567-P571 WeakPolarHBondContact O-CD 3.46Å; L568-P571 WeakPolarHBondContact O-CD 3.21Å; L568-P571 VanDerWaalsContact O-CG 3.24Å; L568-P571 WeakPolarHBondContact O-CG 3.39Å; P571-Q574 WeakPolarHBondContact O-CB 3.3Å; P571-Q574 PolarHBondContact O-N 3.33Å; P571-K575 WeakPolarHBondContact O-CG 3.28Å; P571-K575 PolarHBondContact O-N 3.35Å; P571-K575 VanDerWaalsContact O-N 3.14Å |
| 572 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.7 | -70.4 | 174.3 | 0 | 0 | 0 | 111.7 | F533 Y545 L568 M569 Q574 K575 W576 L589 L593 | F533-L572 HydrophobicContact CE1-CD2 4.4Å; F533-L572 HydrophobicContact CZ-CD2 3.75Å; F533-L572 HydrophobicContact CZ-CG 4.34Å; Y545-L572 HydrophobicContact CD1-CD2 4.05Å; Y545-L572 HydrophobicContact CE1-CD2 4.03Å; L568-L572 HydrophobicContact CD1-CD1 4.25Å; L568-L572 HydrophobicContact CG-CD1 3.95Å; M569-L572 PolarHBondContact O-N 3.02Å; M569-L572 HydrophobicContact SD-CD1 4.38Å; L572-Q574 VanDerWaalsContact C-N 3.29Å; L572-Q574 PolarHBondContact O-N 2.94Å; L572-K575 PolarHBondContact O-N 3.01Å; L572-W576 WeakPolarHBondContact O-CB 3.41Å; L572-W576 PolarHBondContact O-N 3.21Å; L572-L589 HydrophobicContact CD2-CD1 3.93Å; L572-L593 HydrophobicContact CB-CD2 4.46Å; L572-L593 HydrophobicContact CD1-CD2 4.22Å |
| 573 | I | 95.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 178.5 | -65.1 | -63.3 | 0 | 0 | 0 | 111.7 | M569 P570 K575 N577 Y607 | M569-I573 HydrophobicContact CE-CD1 4.13Å; M569-I573 HydrophobicContact CE-CG1 4.08Å; M569-I573 WeakPolarHBondContact O-CB 3.11Å; M569-I573 VanDerWaalsContact O-CG1 3.29Å; M569-I573 WeakPolarHBondContact O-CG1 3.44Å; M569-I573 PolarHBondContact O-N 2.77Å; P570-I573 PolarHBondContact O-N 3.31Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-N577 WeakPolarHBondContact CG2-ND2 2.8Å; I573-N577 PolarHBondContact O-N 3.35Å; I573-N577 VanDerWaalsContact O-N 3.13Å; I573-N577 PolarHBondContact O-ND2 3.47Å; I573-Y607 HydrophobicContact CD1-CD1 4.33Å; I573-Y607 HydrophobicContact CG1-CD1 4.18Å |
| 574 | Q | 95.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 58.8 Ų | 58.8 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.1 | -179.8 | 180 | -2.4 | 0 | 0 | 110.9 | P570 P571 L572 Q578 | P570-Q574 WeakPolarHBondContact O-CB 3.44Å; P570-Q574 PolarHBondContact O-N 3.32Å; P571-Q574 WeakPolarHBondContact O-CB 3.3Å; P571-Q574 PolarHBondContact O-N 3.33Å; L572-Q574 VanDerWaalsContact C-N 3.29Å; L572-Q574 PolarHBondContact O-N 2.94Å; Q574-Q578 VanDerWaalsContact O-CG 3.3Å; Q574-Q578 WeakPolarHBondContact O-CG 3.45Å; Q574-Q578 PolarHBondContact O-N 3.03Å |
| 575 | K | 95 | Very high | 94.9 | Very high | 50 Ų | 50 | 59 Ų | 59 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 178.7 | -68.1 | -73.1 | -177.6 | 172.8 | 0 | 112.3 | L541 Y545 P571 L572 I573 N577 Q578 L579 L589 | L541-K575 HydrophobicContact CD2-CD 3.91Å; L541-K575 VanDerWaalsContact CD2-CE 3.44Å; Y545-K575 VanDerWaalsContact OH-CB 3.24Å; Y545-K575 WeakPolarHBondContact OH-CB 3.48Å; Y545-K575 WeakPolarHBondContact OH-CG 3.43Å; P571-K575 WeakPolarHBondContact O-CG 3.28Å; P571-K575 PolarHBondContact O-N 3.35Å; P571-K575 VanDerWaalsContact O-N 3.14Å; L572-K575 PolarHBondContact O-N 3.01Å; I573-K575 VanDerWaalsContact C-N 3.33Å; K575-N577 VanDerWaalsContact C-N 3.27Å; K575-N577 PolarHBondContact O-N 3.26Å; K575-Q578 WeakPolarHBondContact O-CB 3.47Å; K575-Q578 PolarHBondContact O-N 3.41Å; K575-L579 PolarHBondContact O-N 3.46Å; K575-L579 VanDerWaalsContact O-N 3.16Å; K575-L589 HydrophobicContact CB-CD2 4.39Å |
| 576 | W | 93.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -49.2 | -46.1 | 172.5 | 172.9 | -98.6 | 0 | 0 | 0 | 113.5 | L572 Q578 L589 L590 L593 V611 R614 | L572-W576 WeakPolarHBondContact O-CB 3.41Å; L572-W576 PolarHBondContact O-N 3.21Å; W576-Q578 VanDerWaalsContact C-N 3.3Å; W576-Q578 PolarHBondContact O-N 3.47Å; W576-L589 HydrophobicContact CB-CD2 4.25Å; W576-L589 HydrophobicContact CE3-CD2 4.3Å; W576-L590 HydrophobicContact CE3-CD2 4.07Å; W576-L590 HydrophobicContact CH2-CD2 3.94Å; W576-L590 HydrophobicContact CZ3-CD2 3.22Å; W576-L590 HydrophobicContact CZ3-CG 4.23Å; W576-L593 HydrophobicContact CE3-CD1 3.97Å; W576-L593 HydrophobicContact CZ3-CD1 4.33Å; W576-V611 HydrophobicContact CH2-CG1 4.42Å; W576-V611 HydrophobicContact CZ2-CB 4.41Å; W576-V611 HydrophobicContact CZ2-CG2 4.22Å; W576-R614 HydrophobicContact CH2-CB 3.73Å; W576-R614 HydrophobicContact CH2-CG 3.99Å; W576-R614 HydrophobicContact CZ2-CB 3.54Å; W576-R614 HydrophobicContact CZ2-CG 3.99Å; W576-R614 PolarHBondContact O-NH1 3.09Å |
| 577 | N | 94.5 | Very high | 94.4 | Very high | 117 Ų | 117 | 51.4 Ų | 51.4 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -75.8 | -16 | -179.1 | -69.2 | -46.1 | 0 | 0 | 0 | 113.7 | I573 K575 | I573-N577 WeakPolarHBondContact CG2-ND2 2.8Å; I573-N577 PolarHBondContact O-N 3.35Å; I573-N577 VanDerWaalsContact O-N 3.13Å; I573-N577 PolarHBondContact O-ND2 3.47Å; K575-N577 VanDerWaalsContact C-N 3.27Å; K575-N577 PolarHBondContact O-N 3.26Å |
| 578 | Q | 95 | Very high | 94.3 | Very high | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -85.9 | -40 | 179.5 | -73.8 | 171.6 | 5.3 | 0 | 0 | 112.2 | Q574 K575 W576 | Q574-Q578 VanDerWaalsContact O-CG 3.3Å; Q574-Q578 WeakPolarHBondContact O-CG 3.45Å; Q574-Q578 PolarHBondContact O-N 3.03Å; K575-Q578 WeakPolarHBondContact O-CB 3.47Å; K575-Q578 PolarHBondContact O-N 3.41Å; W576-Q578 VanDerWaalsContact C-N 3.3Å; W576-Q578 PolarHBondContact O-N 3.47Å |
| 579 | L | 94.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.1 | 141.3 | -176 | -63.4 | 178.1 | 0 | 0 | 0 | 111.9 | K575 D585 L586 L589 R614 | K575-L579 PolarHBondContact O-N 3.46Å; K575-L579 VanDerWaalsContact O-N 3.16Å; L579-D585 HydrophobicContact CD1-CB 3.69Å; L579-D585 HydrophobicContact CD2-CB 3.66Å; L579-D585 HydrophobicContact CG-CB 4.32Å; L579-L586 HydrophobicContact CB-CD2 3.81Å; L579-L586 HydrophobicContact CB-CG 4.23Å; L579-L586 HydrophobicContact CD1-CD2 3.96Å; L579-L586 HydrophobicContact CD1-CG 4.42Å; L579-L589 HydrophobicContact CD1-CD2 3.78Å; L579-R614 PolarHBondContact O-NH2 3.43Å |
| 580 | K | 95.9 | Very high | 94.1 | Very high | 147 Ų | 147 | 48.8 Ų | 48.8 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | trans | -87.7 | 167.2 | 174.1 | -63.7 | 178 | -172.8 | 163.8 | 0 | 110.8 | E582 D583 L586 | K580-E582 PolarHBondContact O-N 3.47Å; K580-D583 WeakPolarHBondContact O-CB 3.22Å; K580-D583 PolarHBondContact O-N 2.81Å; K580-L586 WeakPolarHBondContact O-CD1 3.37Å | ||
| 581 | D | 94.1 | Very high | 93.8 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.2 | -178.2 | -73 | -3.6 | 0 | 0 | 0 | 113.4 | R614 L618 K621 F643 | D581-R614 IonicContact OD1-CZ 3.02Å; D581-R614 IonicContact OD1-NE 3.6Å; D581-R614 PolarHBondContact OD1-NE 3.46Å; D581-R614 IonicContact OD1-NH2 2.82Å; D581-R614 PolarHBondContact OD1-NH2 3.46Å; D581-L618 HydrophobicContact CB-CD2 3.69Å; D581-K621 IonicContact OD2-NZ 3.03Å; D581-K621 PolarHBondContact OD2-NZ 3.48Å; D581-F643 WeakPolarHBondContact O-CD1 3.23Å; D581-F643 WeakPolarHBondContact O-CE1 3.32Å |
| 582 | E | 91.9 | Very high | 93.7 | Very high | 134 Ų | 134 | 47.6 Ų | 47.6 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.2 | 178.1 | -50.7 | 78.3 | -164.5 | 0 | 0 | 112.6 | K580 F643 | K580-E582 PolarHBondContact O-N 3.47Å; E582-F643 VanDerWaalsContact C-CZ 3.49Å |
| 583 | D | 92.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | trans | -89.8 | 121.9 | -175.4 | -158.3 | -30 | 0 | 0 | 0 | 110.9 | K580 D585 L586 F643 | K580-D583 WeakPolarHBondContact O-CB 3.22Å; K580-D583 PolarHBondContact O-N 2.81Å; D583-D585 PolarHBondContact O-N 3.48Å; D583-D585 PolarHBondContact OD1-N 2.66Å; D583-L586 VanDerWaalsContact O-CB 3.29Å; D583-L586 WeakPolarHBondContact O-CB 3.5Å; D583-L586 WeakPolarHBondContact O-CG 3.26Å; D583-L586 PolarHBondContact O-N 2.61Å; D583-L586 VanDerWaalsContact O-N 3.07Å; D583-F643 WeakPolarHBondContact O-CE1 3.33Å | ||
| 584 | K | 90.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.5 | -176.4 | -68.1 | -165.1 | 169.4 | -134.7 | 0 | 113.1 | L586 F587 D640 F643 | K584-L586 PolarHBondContact O-N 2.9Å; K584-F587 HydrophobicContact CB-CD2 4.34Å; K584-F587 HydrophobicContact CB-CE2 4.02Å; K584-F587 HydrophobicContact CB-CZ 4.38Å; K584-F587 HydrophobicContact CD-CE2 4.14Å; K584-F587 HydrophobicContact CG-CE2 3.96Å; K584-F587 HydrophobicContact CG-CZ 4.09Å; K584-F587 WeakPolarHBondContact O-CB 3.24Å; K584-F587 WeakPolarHBondContact O-CD2 3.26Å; K584-F587 VanDerWaalsContact O-CG 3.29Å; K584-F587 WeakPolarHBondContact O-CG 3.49Å; K584-F587 PolarHBondContact O-N 2.95Å; K584-D640 WeakPolarHBondContact CE-OD2 3.48Å; K584-D640 IonicContact NZ-OD2 3.17Å; K584-D640 PolarHBondContact NZ-OD2 2.95Å; K584-F643 HydrophobicContact CG-CZ 4.29Å |
| 585 | D | 89.9 | Confident | 93.7 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.9 | 169.4 | -72.6 | 8.7 | 0 | 0 | 0 | 113.1 | H538 L542 L579 D583 F587 P588 | H538-D585 IonicContact CE1-OD1 2.76Å; H538-D585 PolarHBondContact CE1-OD1 2.99Å; H538-D585 IonicContact CE1-OD2 2.83Å; H538-D585 PolarHBondContact CE1-OD2 2.75Å; H538-D585 IonicContact ND1-OD2 2.75Å; H538-D585 PolarHBondContact ND1-OD2 3.42Å; H538-D585 IonicContact NE2-OD1 2.71Å; H538-D585 PolarHBondContact NE2-OD1 3.48Å; H538-D585 IonicContact NE2-OD2 2.72Å; L542-D585 HydrophobicContact CD2-CB 4.4Å; L579-D585 HydrophobicContact CD1-CB 3.69Å; L579-D585 HydrophobicContact CD2-CB 3.66Å; L579-D585 HydrophobicContact CG-CB 4.32Å; D583-D585 PolarHBondContact O-N 3.48Å; D583-D585 PolarHBondContact OD1-N 2.66Å; D585-F587 PolarHBondContact O-N 2.99Å; D585-P588 WeakPolarHBondContact O-CD 3.45Å |
| 586 | L | 92.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -27.5 | 172.6 | -76.8 | -179 | 0 | 0 | 0 | 112.5 | L579 K580 D583 K584 L590 F643 | L579-L586 HydrophobicContact CB-CD2 3.81Å; L579-L586 HydrophobicContact CB-CG 4.23Å; L579-L586 HydrophobicContact CD1-CD2 3.96Å; L579-L586 HydrophobicContact CD1-CG 4.42Å; K580-L586 WeakPolarHBondContact O-CD1 3.37Å; D583-L586 VanDerWaalsContact O-CB 3.29Å; D583-L586 WeakPolarHBondContact O-CB 3.5Å; D583-L586 WeakPolarHBondContact O-CG 3.26Å; D583-L586 PolarHBondContact O-N 2.61Å; D583-L586 VanDerWaalsContact O-N 3.07Å; K584-L586 PolarHBondContact O-N 2.9Å; L586-L590 HydrophobicContact CB-CD1 4.37Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.12Å; L586-F643 HydrophobicContact CB-CE1 4.42Å; L586-F643 HydrophobicContact CD1-CD1 4.41Å; L586-F643 HydrophobicContact CD1-CE1 4.17Å |
| 587 | F | 92.3 | Very high | 94 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -62.3 | -176.2 | -53.1 | -20.7 | 0 | 0 | 0 | 111.8 | R338 H340 K584 D585 L589 L590 E591 D642 F643 V646 | R338-F587 WeakPolarHBondContact O-CD2 3.24Å; R338-F587 WeakPolarHBondContact O-CE2 3.44Å; H340-F587 HydrophobicContact CB-CB 4.33Å; H340-F587 HydrophobicContact CB-CD2 4.48Å; H340-F587 HydrophobicContact CB-CG 4.26Å; K584-F587 HydrophobicContact CB-CD2 4.34Å; K584-F587 HydrophobicContact CB-CE2 4.02Å; K584-F587 HydrophobicContact CB-CZ 4.38Å; K584-F587 HydrophobicContact CD-CE2 4.14Å; K584-F587 HydrophobicContact CG-CE2 3.96Å; K584-F587 HydrophobicContact CG-CZ 4.09Å; K584-F587 WeakPolarHBondContact O-CB 3.24Å; K584-F587 WeakPolarHBondContact O-CD2 3.26Å; K584-F587 VanDerWaalsContact O-CG 3.29Å; K584-F587 WeakPolarHBondContact O-CG 3.49Å; K584-F587 PolarHBondContact O-N 2.95Å; D585-F587 PolarHBondContact O-N 2.99Å; F587-L589 VanDerWaalsContact C-N 3.31Å; F587-L589 PolarHBondContact O-N 3.18Å; F587-L590 PolarHBondContact O-N 3.43Å; F587-E591 WeakPolarHBondContact O-CG 3.16Å; F587-E591 PolarHBondContact O-N 3.12Å; F587-D642 HydrophobicContact CE1-CB 3.95Å; F587-D642 HydrophobicContact CE2-CB 3.87Å; F587-D642 HydrophobicContact CZ-CB 3.5Å; F587-F643 HydrophobicContact CD1-CD1 4.5Å; F587-F643 HydrophobicContact CD1-CE1 4.48Å; F587-F643 AromaticContact CE1-CD1 3.64Å; F587-F643 HydrophobicContact CE1-CD1 3.64Å; F587-F643 AromaticContact CE1-CD2 3.97Å; F587-F643 HydrophobicContact CE1-CD2 3.97Å; F587-F643 AromaticContact CE1-CE1 3.65Å; F587-F643 HydrophobicContact CE1-CE1 3.65Å; F587-F643 AromaticContact CE1-CE2 4Å; F587-F643 HydrophobicContact CE1-CE2 4Å; F587-F643 AromaticContact CE1-CG 3.8Å; F587-F643 HydrophobicContact CE1-CG 3.8Å; F587-F643 AromaticContact CE1-CZ 3.83Å; F587-F643 HydrophobicContact CE1-CZ 3.83Å; F587-F643 HydrophobicContact CZ-CD1 4.44Å; F587-F643 HydrophobicContact CZ-CD2 4.04Å; F587-F643 HydrophobicContact CZ-CE1 4.24Å; F587-F643 AromaticContact CZ-CE2 3.84Å; F587-F643 HydrophobicContact CZ-CE2 3.84Å; F587-F643 HydrophobicContact CZ-CG 4.34Å; F587-F643 AromaticContact CZ-CZ 3.94Å; F587-F643 HydrophobicContact CZ-CZ 3.94Å; F587-V646 HydrophobicContact CD1-CG1 4.04Å |
| 588 | P | 91.3 | Very high | 94 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | -179.7 | 25.2 | -34.9 | 0 | 0 | 0 | 112.6 | L542 Y545 D585 L590 E591 C592 | L542-P588 HydrophobicContact CB-CG 4.22Å; L542-P588 HydrophobicContact CD2-CG 3.77Å; L542-P588 HydrophobicContact CG-CG 4.48Å; Y545-P588 WeakPolarHBondContact CB-O 3.5Å; Y545-P588 HydrophobicContact CD2-CB 4.07Å; Y545-P588 HydrophobicContact CD2-CG 4.15Å; D585-P588 WeakPolarHBondContact O-CD 3.45Å; P588-L590 VanDerWaalsContact C-N 3.3Å; P588-L590 PolarHBondContact O-N 3.41Å; P588-E591 VanDerWaalsContact CA-OE2 3.32Å; P588-E591 WeakPolarHBondContact CA-OE2 3.43Å; P588-C592 WeakPolarHBondContact O-CB 2.94Å; P588-C592 PolarHBondContact O-N 3.3Å |
| 589 | L | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 175.5 | 177 | 62.8 | 0 | 0 | 0 | 111.8 | Y545 L572 K575 W576 L579 F587 L593 | Y545-L589 HydrophobicContact CD1-CD1 3.95Å; Y545-L589 HydrophobicContact CD2-CB 4.31Å; Y545-L589 HydrophobicContact CE1-CD1 3.55Å; Y545-L589 HydrophobicContact CE2-CB 4.19Å; L572-L589 HydrophobicContact CD2-CD1 3.93Å; K575-L589 HydrophobicContact CB-CD2 4.39Å; W576-L589 HydrophobicContact CB-CD2 4.25Å; W576-L589 HydrophobicContact CE3-CD2 4.3Å; L579-L589 HydrophobicContact CD1-CD2 3.78Å; F587-L589 VanDerWaalsContact C-N 3.31Å; F587-L589 PolarHBondContact O-N 3.18Å; L589-L593 HydrophobicContact CD1-CD1 4.33Å; L589-L593 HydrophobicContact CD1-CG 4.44Å; L589-L593 HydrophobicContact CG-CD1 4.24Å; L589-L593 WeakPolarHBondContact O-CB 3.32Å; L589-L593 VanDerWaalsContact O-CG 3.32Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 3.04Å |
| 590 | L | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.9 | -36.9 | -177.6 | -75.8 | -174.2 | 0 | 0 | 0 | 113.3 | W576 L586 F587 P588 L593 S594 L618 V646 L650 | W576-L590 HydrophobicContact CE3-CD2 4.07Å; W576-L590 HydrophobicContact CH2-CD2 3.94Å; W576-L590 HydrophobicContact CZ3-CD2 3.22Å; W576-L590 HydrophobicContact CZ3-CG 4.23Å; L586-L590 HydrophobicContact CB-CD1 4.37Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.23Å; L586-L590 PolarHBondContact O-N 3.12Å; F587-L590 PolarHBondContact O-N 3.43Å; P588-L590 VanDerWaalsContact C-N 3.3Å; P588-L590 PolarHBondContact O-N 3.41Å; L590-L593 HydrophobicContact CD2-CD1 4.19Å; L590-L593 PolarHBondContact O-N 3.03Å; L590-S594 WeakPolarHBondContact O-CB 3.48Å; L590-S594 PolarHBondContact O-N 2.95Å; L590-L618 HydrophobicContact CD1-CD1 4.37Å; L590-V646 HydrophobicContact CB-CG1 4.44Å; L590-V646 HydrophobicContact CB-CG2 3.46Å; L590-V646 VanDerWaalsContact CB-CG2 3.46Å; L590-V646 HydrophobicContact CD1-CG1 3.74Å; L590-V646 HydrophobicContact CD1-CG2 4.32Å; L590-L650 HydrophobicContact CD2-CD2 3.29Å; L590-L650 HydrophobicContact CG-CD2 4.42Å |
| 591 | E | 91.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 25.6 Ų | 25.6 | 29% | 0.285 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -57.4 | -50.8 | 168.6 | -70.6 | 165.3 | 145.1 | 0 | 0 | 110 | H340 F587 P588 L593 S594 S595 V646 | H340-E591 IonicContact CE1-OE1 2.82Å; H340-E591 PolarHBondContact CE1-OE1 2.99Å; H340-E591 IonicContact CG-OE1 2.65Å; H340-E591 VanDerWaalsContact ND1-CD 3.33Å; H340-E591 WeakPolarHBondContact ND1-CG 3.45Å; H340-E591 IonicContact ND1-OE1 3.87Å; H340-E591 PolarHBondContact ND1-OE1 3.18Å; F587-E591 WeakPolarHBondContact O-CG 3.16Å; F587-E591 PolarHBondContact O-N 3.12Å; P588-E591 VanDerWaalsContact CA-OE2 3.32Å; P588-E591 WeakPolarHBondContact CA-OE2 3.43Å; E591-L593 PolarHBondContact O-N 3.41Å; E591-S594 WeakPolarHBondContact O-CA 3.32Å; E591-S594 WeakPolarHBondContact O-CB 3.34Å; E591-S594 PolarHBondContact O-N 3.31Å; E591-S595 PolarHBondContact O-N 2.99Å; E591-V646 HydrophobicContact CG-CG2 4.11Å |
| 592 | C | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.9 | -47.6 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | Y545 I548 P588 S594 S595 V596 | Y545-C592 WeakPolarHBondContact O-CB 3.46Å; Y545-C592 PolarHBondContact O-SG 2.95Å; I548-C592 VanDerWaalsContact CG2-SG 3.57Å; P588-C592 WeakPolarHBondContact O-CB 2.94Å; P588-C592 PolarHBondContact O-N 3.3Å; C592-S594 PolarHBondContact O-N 3.46Å; C592-S595 PolarHBondContact O-N 3.03Å; C592-V596 WeakPolarHBondContact O-CB 3.45Å; C592-V596 VanDerWaalsContact O-CG2 3.25Å; C592-V596 WeakPolarHBondContact O-CG2 3.28Å; C592-V596 PolarHBondContact O-N 3.38Å |
| 593 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -26.9 | 177.2 | -77.4 | 172.5 | 0 | 0 | 0 | 112.9 | M569 L572 W576 L589 L590 E591 A597 F604 L650 | M569-L593 HydrophobicContact CE-CD2 4.39Å; L572-L593 HydrophobicContact CB-CD2 4.46Å; L572-L593 HydrophobicContact CD1-CD2 4.22Å; W576-L593 HydrophobicContact CE3-CD1 3.97Å; W576-L593 HydrophobicContact CZ3-CD1 4.33Å; L589-L593 HydrophobicContact CD1-CD1 4.33Å; L589-L593 HydrophobicContact CD1-CG 4.44Å; L589-L593 HydrophobicContact CG-CD1 4.24Å; L589-L593 WeakPolarHBondContact O-CB 3.32Å; L589-L593 VanDerWaalsContact O-CG 3.32Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 3.04Å; L590-L593 HydrophobicContact CD2-CD1 4.19Å; L590-L593 PolarHBondContact O-N 3.03Å; E591-L593 PolarHBondContact O-N 3.41Å; L593-A597 WeakPolarHBondContact O-CB 3.36Å; L593-A597 PolarHBondContact O-N 3.45Å; L593-F604 HydrophobicContact CD2-CE2 4.3Å; L593-F604 HydrophobicContact CD2-CZ 4.25Å; L593-L650 HydrophobicContact CB-CD1 4.02Å |
| 594 | S | 94.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.3 | -51.1 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 110.8 | L590 E591 C592 A597 T598 D649 | L590-S594 WeakPolarHBondContact O-CB 3.48Å; L590-S594 PolarHBondContact O-N 2.95Å; E591-S594 WeakPolarHBondContact O-CA 3.32Å; E591-S594 WeakPolarHBondContact O-CB 3.34Å; E591-S594 PolarHBondContact O-N 3.31Å; C592-S594 PolarHBondContact O-N 3.46Å; S594-A597 PolarHBondContact O-N 3.07Å; S594-T598 PolarHBondContact O-N 3.46Å; S594-T598 VanDerWaalsContact O-N 3.13Å; S594-T598 PolarHBondContact O-OG1 2.75Å; S594-D649 PolarHBondContact OG-O 3.03Å |
| 595 | S | 95.3 | Very high | 95 | Very high | 18 Ų | 18 | 18.6 Ų | 18.6 | 13% | 0.126 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | G549 D553 E591 C592 A597 T598 A599 | G549-S595 WeakPolarHBondContact O-CB 3.48Å; D553-S595 VanDerWaalsContact OD1-CB 3.23Å; D553-S595 WeakPolarHBondContact OD1-CB 3.32Å; D553-S595 PolarHBondContact OD1-OG 3.5Å; D553-S595 VanDerWaalsContact OD2-CB 3.29Å; D553-S595 WeakPolarHBondContact OD2-CB 3.44Å; D553-S595 PolarHBondContact OD2-OG 3.05Å; E591-S595 PolarHBondContact O-N 2.99Å; C592-S595 PolarHBondContact O-N 3.03Å; S595-A597 PolarHBondContact O-N 3.42Å; S595-T598 PolarHBondContact O-N 3.35Å; S595-A599 WeakPolarHBondContact O-CB 3.31Å; S595-A599 PolarHBondContact O-N 3.03Å |
| 596 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 178 | 171 | 0 | 0 | 0 | 0 | 112 | I548 A552 L568 M569 C592 T598 A599 L600 F604 | I548-V596 HydrophobicContact CG2-CG2 4.02Å; A552-V596 HydrophobicContact CB-CG2 3.97Å; L568-V596 HydrophobicContact CD2-CG1 4.49Å; L568-V596 HydrophobicContact CD2-CG2 4.32Å; M569-V596 HydrophobicContact SD-CG1 4.05Å; C592-V596 WeakPolarHBondContact O-CB 3.45Å; C592-V596 VanDerWaalsContact O-CG2 3.25Å; C592-V596 WeakPolarHBondContact O-CG2 3.28Å; C592-V596 PolarHBondContact O-N 3.38Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3.21Å; V596-A599 PolarHBondContact O-N 2.94Å; V596-L600 HydrophobicContact CG1-CD1 3.68Å; V596-L600 HydrophobicContact CG1-CG 4.03Å; V596-L600 VanDerWaalsContact O-CB 3.26Å; V596-L600 WeakPolarHBondContact O-CB 3.21Å; V596-L600 VanDerWaalsContact O-CG 3.24Å; V596-L600 WeakPolarHBondContact O-CG 3.3Å; V596-L600 PolarHBondContact O-N 3.4Å; V596-F604 HydrophobicContact CG1-CE2 4.38Å |
| 597 | A | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L593 S594 S595 Q601 F604 L654 | L593-A597 WeakPolarHBondContact O-CB 3.36Å; L593-A597 PolarHBondContact O-N 3.45Å; S594-A597 PolarHBondContact O-N 3.07Å; S595-A597 PolarHBondContact O-N 3.42Å; A597-Q601 PolarHBondContact O-N 3.21Å; A597-F604 HydrophobicContact CB-CD1 4.09Å; A597-F604 HydrophobicContact CB-CD2 4.22Å; A597-F604 HydrophobicContact CB-CE1 4.22Å; A597-F604 HydrophobicContact CB-CE2 4.32Å; A597-F604 HydrophobicContact CB-CG 4.1Å; A597-F604 HydrophobicContact CB-CZ 4.33Å; A597-L654 HydrophobicContact CB-CD2 3.93Å |
| 598 | T | 94.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 17% | 0.172 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 177.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | S594 S595 V596 Q601 G653 E656 | S594-T598 PolarHBondContact O-N 3.46Å; S594-T598 VanDerWaalsContact O-N 3.13Å; S594-T598 PolarHBondContact O-OG1 2.75Å; S595-T598 PolarHBondContact O-N 3.35Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3.21Å; T598-Q601 VanDerWaalsContact O-CG 3.27Å; T598-Q601 WeakPolarHBondContact O-CG 3.42Å; T598-Q601 PolarHBondContact O-N 3.31Å; T598-G653 WeakPolarHBondContact OG1-CA 3.47Å; T598-G653 PolarHBondContact OG1-O 3.1Å; T598-E656 HydrophobicContact CG2-CG 4.05Å |
| 599 | A | 96.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A552 H557 L559 S595 V596 Q601 | A552-A599 HydrophobicContact CB-CB 3.95Å; A552-A599 WeakPolarHBondContact O-CB 3.09Å; H557-A599 WeakPolarHBondContact CA-O 3.36Å; L559-A599 HydrophobicContact CB-CB 4.42Å; L559-A599 HydrophobicContact CD2-CB 4.23Å; S595-A599 WeakPolarHBondContact O-CB 3.31Å; S595-A599 PolarHBondContact O-N 3.03Å; V596-A599 PolarHBondContact O-N 2.94Å; A599-Q601 VanDerWaalsContact C-N 3.34Å |
| 600 | L | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.3 | -19.6 | -179.1 | -68.5 | -171.7 | 0 | 0 | 0 | 113.5 | L559 N560 I565 M569 V596 S602 G603 F604 | L559-L600 HydrophobicContact CB-CD2 4.2Å; L559-L600 HydrophobicContact CD2-CD2 4.23Å; L559-L600 HydrophobicContact CG-CD2 3.88Å; L559-L600 WeakPolarHBondContact O-CD2 3.31Å; N560-L600 HydrophobicContact CB-CD2 4.38Å; N560-L600 PolarHBondContact ND2-O 3.07Å; N560-L600 PolarHBondContact OD1-O 2.66Å; I565-L600 HydrophobicContact CD1-CD2 4Å; I565-L600 HydrophobicContact CG1-CD1 3.96Å; I565-L600 HydrophobicContact CG1-CD2 3.57Å; I565-L600 HydrophobicContact CG1-CG 4.39Å; M569-L600 HydrophobicContact CG-CD1 4.44Å; M569-L600 HydrophobicContact SD-CD1 4.03Å; V596-L600 HydrophobicContact CG1-CD1 3.68Å; V596-L600 HydrophobicContact CG1-CG 4.03Å; V596-L600 VanDerWaalsContact O-CB 3.26Å; V596-L600 WeakPolarHBondContact O-CB 3.21Å; V596-L600 VanDerWaalsContact O-CG 3.24Å; V596-L600 WeakPolarHBondContact O-CG 3.3Å; V596-L600 PolarHBondContact O-N 3.4Å; L600-S602 PolarHBondContact O-N 3.31Å; L600-G603 VanDerWaalsContact O-CA 3.32Å; L600-G603 WeakPolarHBondContact O-CA 3.41Å; L600-G603 PolarHBondContact O-N 3.46Å; L600-F604 HydrophobicContact CB-CB 4.12Å; L600-F604 HydrophobicContact CD1-CD2 4.07Å |
| 601 | Q | 95.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 35.1 Ų | 35.1 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | 48.5 | -128 | -179.5 | -57.7 | 178.4 | -24.2 | 0 | 0 | 111.8 | A597 T598 A599 G603 F604 G657 L658 | A597-Q601 PolarHBondContact O-N 3.21Å; T598-Q601 VanDerWaalsContact O-CG 3.27Å; T598-Q601 WeakPolarHBondContact O-CG 3.42Å; T598-Q601 PolarHBondContact O-N 3.31Å; A599-Q601 VanDerWaalsContact C-N 3.34Å; Q601-G603 PolarHBondContact O-N 2.69Å; Q601-F604 WeakPolarHBondContact O-CB 3.35Å; Q601-F604 PolarHBondContact O-N 2.91Å; Q601-G657 CarbonylContact C-O 3.35Å; Q601-G657 WeakPolarHBondContact CA-O 3.24Å; Q601-G657 WeakPolarHBondContact CB-O 3.01Å; Q601-L658 WeakPolarHBondContact O-CD2 3.42Å |
| 602 | S | 95 | Very high | 96.7 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -59.2 | -18.7 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | L600 F604 L605 | L600-S602 PolarHBondContact O-N 3.31Å; S602-F604 PolarHBondContact O-N 2.91Å; S602-L605 WeakPolarHBondContact O-CB 3.26Å; S602-L605 VanDerWaalsContact O-CD1 3.31Å; S602-L605 WeakPolarHBondContact O-CD1 3.39Å; S602-L605 WeakPolarHBondContact O-CG 3.44Å; S602-L605 PolarHBondContact O-N 3Å |
| 603 | G | 96.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 37 Ų | 37 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63.6 | -23 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L600 Q601 L605 P606 | L600-G603 VanDerWaalsContact O-CA 3.32Å; L600-G603 WeakPolarHBondContact O-CA 3.41Å; L600-G603 PolarHBondContact O-N 3.46Å; Q601-G603 PolarHBondContact O-N 2.69Å; G603-L605 VanDerWaalsContact C-N 3.33Å; G603-P606 VanDerWaalsContact O-CD 3.29Å; G603-P606 WeakPolarHBondContact O-CD 3.31Å |
| 604 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -80.9 | -8.9 | 177.8 | -158.1 | -98.1 | 0 | 0 | 0 | 113.9 | M569 L593 V596 A597 L600 Q601 S602 P606 Y607 C608 V611 L654 L658 | M569-F604 HydrophobicContact CE-CD2 4.22Å; M569-F604 HydrophobicContact CE-CE2 3.49Å; M569-F604 VanDerWaalsContact CE-CE2 3.49Å; M569-F604 HydrophobicContact CE-CZ 4.13Å; M569-F604 HydrophobicContact SD-CD2 4.36Å; M569-F604 HydrophobicContact SD-CE2 3.99Å; L593-F604 HydrophobicContact CD2-CE2 4.3Å; L593-F604 HydrophobicContact CD2-CZ 4.25Å; V596-F604 HydrophobicContact CG1-CE2 4.38Å; A597-F604 HydrophobicContact CB-CD1 4.09Å; A597-F604 HydrophobicContact CB-CD2 4.22Å; A597-F604 HydrophobicContact CB-CE1 4.22Å; A597-F604 HydrophobicContact CB-CE2 4.32Å; A597-F604 HydrophobicContact CB-CG 4.1Å; A597-F604 HydrophobicContact CB-CZ 4.33Å; L600-F604 HydrophobicContact CB-CB 4.12Å; L600-F604 HydrophobicContact CD1-CD2 4.07Å; Q601-F604 WeakPolarHBondContact O-CB 3.35Å; Q601-F604 PolarHBondContact O-N 2.91Å; S602-F604 PolarHBondContact O-N 2.91Å; F604-P606 VanDerWaalsContact C-N 3.33Å; F604-P606 VanDerWaalsContact O-N 3.15Å; F604-Y607 HydrophobicContact CD2-CD2 4.4Å; F604-Y607 PolarHBondContact O-N 3.41Å; F604-C608 HydrophobicContact CD1-CB 4.05Å; F604-C608 HydrophobicContact CE1-CB 4.43Å; F604-C608 PolarHBondContact O-N 2.85Å; F604-V611 HydrophobicContact CE1-CB 4.48Å; F604-V611 HydrophobicContact CE1-CG2 4.23Å; F604-V611 HydrophobicContact CZ-CG2 4.26Å; F604-L654 HydrophobicContact CD1-CD2 3.66Å; F604-L654 HydrophobicContact CE1-CD2 3.6Å; F604-L658 HydrophobicContact CB-CD2 4.3Å |
| 605 | L | 96.1 | Very high | 97 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -39 | -177.6 | -74.6 | 171.3 | 0 | 0 | 0 | 115.7 | S602 G603 Y607 C608 L658 T661 | S602-L605 WeakPolarHBondContact O-CB 3.26Å; S602-L605 VanDerWaalsContact O-CD1 3.31Å; S602-L605 WeakPolarHBondContact O-CD1 3.39Å; S602-L605 WeakPolarHBondContact O-CG 3.44Å; S602-L605 PolarHBondContact O-N 3Å; G603-L605 VanDerWaalsContact C-N 3.33Å; L605-Y607 PolarHBondContact O-N 3.42Å; L605-Y607 VanDerWaalsContact O-N 3.11Å; L605-C608 PolarHBondContact O-SG 3.17Å; L605-L658 HydrophobicContact CD2-CD2 3.72Å; L605-L658 HydrophobicContact CG-CD2 4.01Å; L605-T661 HydrophobicContact CD1-CG2 4.08Å; L605-T661 HydrophobicContact CD2-CG2 3.33Å; L605-T661 HydrophobicContact CG-CG2 4.35Å |
| 606 | P | 97.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 37 Ų | 37 | 66% | 0.662 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.8 | 178.3 | -23 | 35.6 | 0 | 0 | 0 | 114.4 | G603 F604 | G603-P606 VanDerWaalsContact O-CD 3.29Å; G603-P606 WeakPolarHBondContact O-CD 3.31Å; F604-P606 VanDerWaalsContact C-N 3.33Å; F604-P606 VanDerWaalsContact O-N 3.15Å |
| 607 | Y | 97.4 | Very high | 97.2 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -14.2 | -172.1 | -47.6 | -78.7 | 0 | 0 | 0 | 113 | I565 M569 I573 F604 L605 E609 P610 V611 | I565-Y607 HydrophobicContact CG2-CE2 3.9Å; M569-Y607 HydrophobicContact CB-CE1 3.85Å; M569-Y607 HydrophobicContact CB-CE2 4.16Å; M569-Y607 HydrophobicContact CE-CD1 4.02Å; M569-Y607 HydrophobicContact CE-CD2 3.94Å; M569-Y607 HydrophobicContact CE-CE1 4.41Å; M569-Y607 HydrophobicContact CE-CE2 4.36Å; M569-Y607 HydrophobicContact CE-CG 3.76Å; M569-Y607 HydrophobicContact CG-CD2 4.21Å; M569-Y607 HydrophobicContact CG-CE1 4.27Å; M569-Y607 HydrophobicContact CG-CE2 3.7Å; I573-Y607 HydrophobicContact CD1-CD1 4.33Å; I573-Y607 HydrophobicContact CG1-CD1 4.18Å; F604-Y607 HydrophobicContact CD2-CD2 4.4Å; F604-Y607 PolarHBondContact O-N 3.41Å; L605-Y607 PolarHBondContact O-N 3.42Å; L605-Y607 VanDerWaalsContact O-N 3.11Å; Y607-E609 PolarHBondContact O-N 2.87Å; Y607-P610 WeakPolarHBondContact O-CD 3.45Å; Y607-P610 WeakPolarHBondContact O-CG 2.83Å; Y607-V611 VanDerWaalsContact O-CG2 3.28Å; Y607-V611 WeakPolarHBondContact O-CG2 3.49Å |
| 608 | C | 96 | Very high | 97.2 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -35.2 | -165.5 | 66.3 | 0 | 0 | 0 | 0 | 115.2 | F604 L605 V611 Y612 L654 L658 | F604-C608 HydrophobicContact CD1-CB 4.05Å; F604-C608 HydrophobicContact CE1-CB 4.43Å; F604-C608 PolarHBondContact O-N 2.85Å; L605-C608 PolarHBondContact O-SG 3.17Å; C608-V611 PolarHBondContact O-N 3.38Å; C608-Y612 VanDerWaalsContact O-CB 3.24Å; C608-Y612 WeakPolarHBondContact O-CB 3.35Å; C608-Y612 PolarHBondContact O-N 2.93Å; C608-L654 HydrophobicContact CB-CD2 4.25Å; C608-L658 HydrophobicContact CB-CD1 3.57Å |
| 609 | E | 97.4 | Very high | 97.4 | Very high | 126 Ų | 126 | 38.9 Ų | 38.9 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.6 | -52.2 | -175.2 | -175.8 | 170.8 | -161.3 | 0 | 0 | 113.6 | Y607 V611 Q613 L665 | Y607-E609 PolarHBondContact O-N 2.87Å; E609-V611 VanDerWaalsContact C-N 3.32Å; E609-V611 PolarHBondContact O-N 3.47Å; E609-Q613 WeakPolarHBondContact O-CB 3.25Å; E609-Q613 PolarHBondContact O-N 3.04Å; E609-Q613 VanDerWaalsContact O-N 3.07Å; E609-L665 HydrophobicContact CB-CD2 4.18Å; E609-L665 HydrophobicContact CG-CD2 3.99Å |
| 610 | P | 97.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -33.4 | 176.7 | 25.4 | -34.8 | 0 | 0 | 0 | 113.1 | Y607 R614 | Y607-P610 WeakPolarHBondContact O-CD 3.45Å; Y607-P610 WeakPolarHBondContact O-CG 2.83Å; P610-R614 PolarHBondContact O-N 3.18Å; P610-R614 VanDerWaalsContact O-N 3.14Å |
| 611 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -53.7 | 178 | 177.4 | 0 | 0 | 0 | 0 | 110 | W576 F604 Y607 C608 E609 Q613 R614 C615 L650 L654 | W576-V611 HydrophobicContact CH2-CG1 4.42Å; W576-V611 HydrophobicContact CZ2-CB 4.41Å; W576-V611 HydrophobicContact CZ2-CG2 4.22Å; F604-V611 HydrophobicContact CE1-CB 4.48Å; F604-V611 HydrophobicContact CE1-CG2 4.23Å; F604-V611 HydrophobicContact CZ-CG2 4.26Å; Y607-V611 VanDerWaalsContact O-CG2 3.28Å; Y607-V611 WeakPolarHBondContact O-CG2 3.49Å; C608-V611 PolarHBondContact O-N 3.38Å; E609-V611 VanDerWaalsContact C-N 3.32Å; E609-V611 PolarHBondContact O-N 3.47Å; V611-Q613 VanDerWaalsContact C-N 3.35Å; V611-Q613 PolarHBondContact O-N 2.93Å; V611-R614 PolarHBondContact O-N 3.41Å; V611-C615 PolarHBondContact O-N 2.91Å; V611-C615 VanDerWaalsContact O-N 3.15Å; V611-C615 PolarHBondContact O-SG 2.88Å; V611-L650 HydrophobicContact CG1-CD1 4.29Å; V611-L650 HydrophobicContact CG1-CD2 3.41Å; V611-L650 VanDerWaalsContact CG1-CD2 3.41Å; V611-L650 HydrophobicContact CG1-CG 4.08Å; V611-L654 HydrophobicContact CG1-CD1 3.96Å |
| 612 | Y | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -47.2 | 177.2 | -177.1 | -89.2 | 0 | 0 | 0 | 112.2 | C608 R614 C615 V616 L651 L654 I662 L665 V666 S669 I671 | C608-Y612 VanDerWaalsContact O-CB 3.24Å; C608-Y612 WeakPolarHBondContact O-CB 3.35Å; C608-Y612 PolarHBondContact O-N 2.93Å; Y612-R614 VanDerWaalsContact C-N 3.33Å; Y612-R614 PolarHBondContact O-N 3.17Å; Y612-C615 PolarHBondContact O-N 2.97Å; Y612-V616 HydrophobicContact CD1-CG2 4.14Å; Y612-V616 HydrophobicContact CE1-CG2 3.78Å; Y612-V616 WeakPolarHBondContact O-CG2 3.27Å; Y612-V616 PolarHBondContact O-N 2.96Å; Y612-V616 VanDerWaalsContact O-N 3.09Å; Y612-L651 HydrophobicContact CD2-CD2 3.28Å; Y612-L651 HydrophobicContact CE2-CD2 3.5Å; Y612-L651 VanDerWaalsContact CE2-CD2 3.5Å; Y612-L651 HydrophobicContact CG-CD2 3.97Å; Y612-L654 HydrophobicContact CD2-CD1 4.32Å; Y612-I662 HydrophobicContact CD2-CD1 4.08Å; Y612-I662 HydrophobicContact CD2-CG1 4.37Å; Y612-I662 HydrophobicContact CE2-CD1 4.02Å; Y612-I662 HydrophobicContact CE2-CG1 4.28Å; Y612-L665 HydrophobicContact CD1-CB 3.88Å; Y612-L665 HydrophobicContact CD2-CB 4.3Å; Y612-L665 HydrophobicContact CD2-CD1 4.4Å; Y612-L665 HydrophobicContact CE1-CB 3.84Å; Y612-L665 HydrophobicContact CE2-CB 4.29Å; Y612-L665 HydrophobicContact CG-CB 4.11Å; Y612-L665 HydrophobicContact CG-CD1 4.12Å; Y612-V666 HydrophobicContact CE2-CG2 4.41Å; Y612-V666 WeakPolarHBondContact OH-CA 3.4Å; Y612-S669 PolarHBondContact OH-OG 2.9Å; Y612-I671 WeakPolarHBondContact OH-CG2 3.42Å |
| 613 | Q | 98.2 | Very high | 97.7 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.7 | -38 | -178.1 | -173.1 | 61.4 | 51.6 | 0 | 0 | 112.4 | E609 V611 N617 | E609-Q613 WeakPolarHBondContact O-CB 3.25Å; E609-Q613 PolarHBondContact O-N 3.04Å; E609-Q613 VanDerWaalsContact O-N 3.07Å; V611-Q613 VanDerWaalsContact C-N 3.35Å; V611-Q613 PolarHBondContact O-N 2.93Å; Q613-N617 PolarHBondContact NE2-OD1 3.39Å; Q613-N617 VanDerWaalsContact NE2-OD1 3.15Å; Q613-N617 WeakPolarHBondContact O-CB 3.34Å; Q613-N617 PolarHBondContact O-N 2.85Å; Q613-N617 VanDerWaalsContact O-N 3.11Å; Q613-N617 PolarHBondContact O-ND2 3.41Å |
| 614 | R | 98.3 | Very high | 97.7 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 178.2 | -165 | -175.6 | -168.1 | 168.5 | -0.1 | 111.2 | W576 L579 D581 P610 V611 Y612 V616 N617 L618 | W576-R614 HydrophobicContact CH2-CB 3.73Å; W576-R614 HydrophobicContact CH2-CG 3.99Å; W576-R614 HydrophobicContact CZ2-CB 3.54Å; W576-R614 HydrophobicContact CZ2-CG 3.99Å; W576-R614 PolarHBondContact O-NH1 3.09Å; L579-R614 PolarHBondContact O-NH2 3.43Å; D581-R614 IonicContact OD1-CZ 3.02Å; D581-R614 IonicContact OD1-NE 3.6Å; D581-R614 PolarHBondContact OD1-NE 3.46Å; D581-R614 IonicContact OD1-NH2 2.82Å; D581-R614 PolarHBondContact OD1-NH2 3.46Å; P610-R614 PolarHBondContact O-N 3.18Å; P610-R614 VanDerWaalsContact O-N 3.14Å; V611-R614 PolarHBondContact O-N 3.41Å; Y612-R614 VanDerWaalsContact C-N 3.33Å; Y612-R614 PolarHBondContact O-N 3.17Å; R614-V616 PolarHBondContact O-N 3.37Å; R614-N617 WeakPolarHBondContact O-CB 3.49Å; R614-N617 PolarHBondContact O-N 3.45Å; R614-N617 VanDerWaalsContact O-N 3.15Å; R614-L618 HydrophobicContact CG-CD1 4.48Å; R614-L618 WeakPolarHBondContact O-CG 3.4Å; R614-L618 PolarHBondContact O-N 2.86Å |
| 615 | C | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 177.6 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | V611 Y612 N617 L618 V619 A647 L650 L651 | V611-C615 PolarHBondContact O-N 2.91Å; V611-C615 VanDerWaalsContact O-N 3.15Å; V611-C615 PolarHBondContact O-SG 2.88Å; Y612-C615 PolarHBondContact O-N 2.97Å; C615-N617 VanDerWaalsContact C-N 3.25Å; C615-N617 PolarHBondContact O-N 3.5Å; C615-L618 PolarHBondContact O-N 2.72Å; C615-L618 VanDerWaalsContact O-N 3.17Å; C615-V619 WeakPolarHBondContact O-CG2 3.45Å; C615-V619 PolarHBondContact O-N 2.96Å; C615-A647 HydrophobicContact CB-CB 3.94Å; C615-L650 WeakPolarHBondContact SG-CD2 3.43Å; C615-L651 HydrophobicContact CB-CD1 3.81Å; C615-L651 HydrophobicContact CB-CD2 3.86Å; C615-L651 HydrophobicContact CB-CG 3.56Å |
| 616 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | Y612 R614 Q620 L651 I671 L674 | Y612-V616 HydrophobicContact CD1-CG2 4.14Å; Y612-V616 HydrophobicContact CE1-CG2 3.78Å; Y612-V616 WeakPolarHBondContact O-CG2 3.27Å; Y612-V616 PolarHBondContact O-N 2.96Å; Y612-V616 VanDerWaalsContact O-N 3.09Å; R614-V616 PolarHBondContact O-N 3.37Å; V616-Q620 WeakPolarHBondContact O-CB 2.98Å; V616-Q620 PolarHBondContact O-N 2.93Å; V616-L651 HydrophobicContact CG2-CD1 4.24Å; V616-L651 HydrophobicContact CG2-CD2 4.25Å; V616-I671 HydrophobicContact CG2-CD1 4.45Å; V616-L674 HydrophobicContact CG1-CD1 3.95Å |
| 617 | N | 98.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 177.6 | -71.6 | -20.9 | 0 | 0 | 0 | 112.8 | Q613 R614 C615 Q620 K621 | Q613-N617 PolarHBondContact NE2-OD1 3.39Å; Q613-N617 VanDerWaalsContact NE2-OD1 3.15Å; Q613-N617 WeakPolarHBondContact O-CB 3.34Å; Q613-N617 PolarHBondContact O-N 2.85Å; Q613-N617 VanDerWaalsContact O-N 3.11Å; Q613-N617 PolarHBondContact O-ND2 3.41Å; R614-N617 WeakPolarHBondContact O-CB 3.49Å; R614-N617 PolarHBondContact O-N 3.45Å; R614-N617 VanDerWaalsContact O-N 3.15Å; C615-N617 VanDerWaalsContact C-N 3.25Å; C615-N617 PolarHBondContact O-N 3.5Å; N617-Q620 PolarHBondContact O-N 2.74Å; N617-K621 WeakPolarHBondContact O-CB 3.48Å; N617-K621 VanDerWaalsContact O-CG 3.3Å; N617-K621 WeakPolarHBondContact O-CG 3.27Å; N617-K621 PolarHBondContact O-N 3.27Å |
| 618 | L | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -52.8 | 176.5 | -74.5 | 171.4 | 0 | 0 | 0 | 110.4 | D581 L590 R614 C615 Q620 K621 T622 A647 | D581-L618 HydrophobicContact CB-CD2 3.69Å; L590-L618 HydrophobicContact CD1-CD1 4.37Å; R614-L618 HydrophobicContact CG-CD1 4.48Å; R614-L618 WeakPolarHBondContact O-CG 3.4Å; R614-L618 PolarHBondContact O-N 2.86Å; C615-L618 PolarHBondContact O-N 2.72Å; C615-L618 VanDerWaalsContact O-N 3.17Å; L618-Q620 VanDerWaalsContact C-N 3.29Å; L618-Q620 PolarHBondContact O-N 3.18Å; L618-K621 PolarHBondContact O-N 3.06Å; L618-K621 VanDerWaalsContact O-N 3.14Å; L618-T622 PolarHBondContact O-N 3.21Å; L618-T622 PolarHBondContact O-OG1 3.15Å; L618-T622 VanDerWaalsContact O-OG1 3.08Å; L618-A647 HydrophobicContact CB-CB 4.02Å; L618-A647 HydrophobicContact CD1-CB 4.26Å |
| 619 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.8 | -47.4 | 176 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | C615 K621 T622 L623 M644 A647 L648 L674 | C615-V619 WeakPolarHBondContact O-CG2 3.45Å; C615-V619 PolarHBondContact O-N 2.96Å; V619-K621 PolarHBondContact O-N 3.27Å; V619-T622 PolarHBondContact O-N 3.46Å; V619-L623 HydrophobicContact CG1-CD1 3.92Å; V619-L623 WeakPolarHBondContact O-CB 3.39Å; V619-L623 WeakPolarHBondContact O-CG 3.4Å; V619-L623 PolarHBondContact O-N 3.35Å; V619-L623 VanDerWaalsContact O-N 3.07Å; V619-M644 HydrophobicContact CB-CG 4.37Å; V619-M644 HydrophobicContact CG1-CG 4.1Å; V619-M644 HydrophobicContact CG1-SD 4.25Å; V619-M644 HydrophobicContact CG2-CG 4.14Å; V619-A647 HydrophobicContact CG2-CB 3.89Å; V619-L648 HydrophobicContact CG2-CD2 4.05Å; V619-L648 HydrophobicContact CG2-CG 3.99Å; V619-L674 HydrophobicContact CB-CD1 4.45Å; V619-L674 HydrophobicContact CG1-CB 4.09Å; V619-L674 HydrophobicContact CG1-CD1 4.16Å |
| 620 | Q | 98.3 | Very high | 96.6 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | -179.9 | -176.2 | 173 | -38.6 | 0 | 0 | 113 | V616 N617 L618 A624 N670 L674 | V616-Q620 WeakPolarHBondContact O-CB 2.98Å; V616-Q620 PolarHBondContact O-N 2.93Å; N617-Q620 PolarHBondContact O-N 2.74Å; L618-Q620 VanDerWaalsContact C-N 3.29Å; L618-Q620 PolarHBondContact O-N 3.18Å; Q620-A624 WeakPolarHBondContact O-CB 3.32Å; Q620-A624 PolarHBondContact O-N 2.84Å; Q620-A624 VanDerWaalsContact O-N 3.12Å; Q620-N670 PolarHBondContact OE1-ND2 3.47Å; Q620-L674 HydrophobicContact CB-CD1 4.07Å; Q620-L674 HydrophobicContact CB-CD2 4.23Å; Q620-L674 HydrophobicContact CG-CD2 4.32Å |
| 621 | K | 97.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 178.3 | -77.3 | 175.4 | 178.4 | -178.5 | 0 | 111.2 | D581 N617 L618 V619 L623 A624 Q625 | D581-K621 IonicContact OD2-NZ 3.03Å; D581-K621 PolarHBondContact OD2-NZ 3.48Å; N617-K621 WeakPolarHBondContact O-CB 3.48Å; N617-K621 VanDerWaalsContact O-CG 3.3Å; N617-K621 WeakPolarHBondContact O-CG 3.27Å; N617-K621 PolarHBondContact O-N 3.27Å; L618-K621 PolarHBondContact O-N 3.06Å; L618-K621 VanDerWaalsContact O-N 3.14Å; V619-K621 PolarHBondContact O-N 3.27Å; K621-L623 PolarHBondContact O-N 2.79Å; K621-A624 PolarHBondContact O-N 3.41Å; K621-Q625 WeakPolarHBondContact O-CG 3.26Å; K621-Q625 PolarHBondContact O-N 3.02Å |
| 622 | T | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | -179 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | L618 V619 A624 Q625 A626 P639 K641 M644 | L618-T622 PolarHBondContact O-N 3.21Å; L618-T622 PolarHBondContact O-OG1 3.15Å; L618-T622 VanDerWaalsContact O-OG1 3.08Å; V619-T622 PolarHBondContact O-N 3.46Å; T622-A624 PolarHBondContact O-N 2.97Å; T622-Q625 PolarHBondContact O-N 2.95Å; T622-A626 WeakPolarHBondContact O-CB 3.49Å; T622-A626 PolarHBondContact O-N 2.79Å; T622-P639 HydrophobicContact CG2-CB 4.18Å; T622-P639 HydrophobicContact CG2-CG 4.45Å; T622-K641 HydrophobicContact CG2-CG 4.33Å; T622-M644 HydrophobicContact CG2-CB 3.83Å; T622-M644 HydrophobicContact CG2-CE 4.27Å; T622-M644 HydrophobicContact CG2-SD 4.48Å |
| 623 | L | 97.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.8 | -72.9 | 170.1 | 0 | 0 | 0 | 112.1 | V619 K621 A626 M627 M644 L674 Q677 | V619-L623 HydrophobicContact CG1-CD1 3.92Å; V619-L623 WeakPolarHBondContact O-CB 3.39Å; V619-L623 WeakPolarHBondContact O-CG 3.4Å; V619-L623 PolarHBondContact O-N 3.35Å; V619-L623 VanDerWaalsContact O-N 3.07Å; K621-L623 PolarHBondContact O-N 2.79Å; L623-A626 PolarHBondContact O-N 3.39Å; L623-M627 WeakPolarHBondContact O-CG 3.48Å; L623-M627 PolarHBondContact O-N 2.83Å; L623-M627 VanDerWaalsContact O-N 3.09Å; L623-M644 HydrophobicContact CD1-SD 4.43Å; L623-M644 HydrophobicContact CD2-CE 4.49Å; L623-M644 HydrophobicContact CD2-SD 3.8Å; L623-M644 HydrophobicContact CG-SD 3.78Å; L623-L674 HydrophobicContact CD1-CB 4.33Å; L623-L674 HydrophobicContact CD1-CD2 4.1Å; L623-Q677 HydrophobicContact CD1-CB 4.17Å; L623-Q677 HydrophobicContact CD2-CB 4.24Å |
| 624 | A | 96.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q620 K621 T622 M627 L628 | Q620-A624 WeakPolarHBondContact O-CB 3.32Å; Q620-A624 PolarHBondContact O-N 2.84Å; Q620-A624 VanDerWaalsContact O-N 3.12Å; K621-A624 PolarHBondContact O-N 3.41Å; T622-A624 PolarHBondContact O-N 2.97Å; A624-M627 PolarHBondContact O-N 2.8Å; A624-L628 WeakPolarHBondContact O-CG 3.5Å; A624-L628 PolarHBondContact O-N 3.1Å |
| 625 | Q | 94.9 | Very high | 94.6 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.4 | -73 | 171.8 | -16.6 | 0 | 0 | 111.8 | K621 T622 M627 L628 H629 P639 | K621-Q625 WeakPolarHBondContact O-CG 3.26Å; K621-Q625 PolarHBondContact O-N 3.02Å; T622-Q625 PolarHBondContact O-N 2.95Å; Q625-M627 VanDerWaalsContact C-N 3.32Å; Q625-M627 PolarHBondContact O-N 2.97Å; Q625-L628 PolarHBondContact O-N 2.96Å; Q625-H629 PolarHBondContact O-N 2.99Å; Q625-P639 HydrophobicContact CB-CB 3.81Å; Q625-P639 HydrophobicContact CB-CG 4.09Å |
| 626 | A | 94.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T622 L623 Q630 P639 | T622-A626 WeakPolarHBondContact O-CB 3.49Å; T622-A626 PolarHBondContact O-N 2.79Å; L623-A626 PolarHBondContact O-N 3.39Å; A626-Q630 WeakPolarHBondContact O-CB 3.21Å; A626-Q630 PolarHBondContact O-N 3.42Å; A626-P639 HydrophobicContact CB-CG 3.79Å |
| 627 | M | 93.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 76.2 Ų | 76.2 | 45% | 0.453 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 174.8 | -67.8 | 179.8 | -169.3 | 0 | 0 | 112.4 | L623 A624 Q625 Q630 S631 Q677 | L623-M627 WeakPolarHBondContact O-CG 3.48Å; L623-M627 PolarHBondContact O-N 2.83Å; L623-M627 VanDerWaalsContact O-N 3.09Å; A624-M627 PolarHBondContact O-N 2.8Å; Q625-M627 VanDerWaalsContact C-N 3.32Å; Q625-M627 PolarHBondContact O-N 2.97Å; M627-Q630 PolarHBondContact O-N 2.97Å; M627-S631 PolarHBondContact O-N 3.46Å; M627-S631 PolarHBondContact O-OG 2.96Å; M627-Q677 VanDerWaalsContact CE-OE1 3.22Å |
| 628 | L | 93.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 78.2 Ų | 78.2 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 176.1 | -72.9 | 172.2 | 0 | 0 | 0 | 111.3 | A624 Q625 Q630 S631 Q632 Y636 | A624-L628 WeakPolarHBondContact O-CG 3.5Å; A624-L628 PolarHBondContact O-N 3.1Å; Q625-L628 PolarHBondContact O-N 2.96Å; L628-Q630 PolarHBondContact O-N 2.74Å; L628-S631 PolarHBondContact O-N 3.44Å; L628-S631 VanDerWaalsContact O-N 3.13Å; L628-S631 PolarHBondContact O-OG 3.39Å; L628-Q632 PolarHBondContact O-N 2.98Å; L628-Y636 HydrophobicContact CB-CD1 4.23Å; L628-Y636 HydrophobicContact CB-CD2 3.95Å; L628-Y636 HydrophobicContact CB-CE2 4.25Å; L628-Y636 HydrophobicContact CB-CG 3.94Å; L628-Y636 HydrophobicContact CD1-CD1 4.39Å; L628-Y636 HydrophobicContact CD1-CE1 4.14Å; L628-Y636 HydrophobicContact CD2-CE2 4.34Å |
| 629 | H | 92.9 | Very high | 93 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 23% | 0.231 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 174.5 | 175.9 | 73.1 | 0 | 0 | 0 | 111.7 | Q625 S631 Q632 P633 Y636 V638 | Q625-H629 PolarHBondContact O-N 2.99Å; H629-S631 PolarHBondContact O-N 2.76Å; H629-Q632 CarbonylContact O-C 3.42Å; H629-Q632 VanDerWaalsContact O-C 3.28Å; H629-Q632 PolarHBondContact O-N 3.03Å; H629-P633 VanDerWaalsContact O-CA 3.26Å; H629-P633 WeakPolarHBondContact O-CA 3.29Å; H629-P633 VanDerWaalsContact O-CD 3.29Å; H629-P633 WeakPolarHBondContact O-CD 3.18Å; H629-P633 VanDerWaalsContact O-CG 3.31Å; H629-P633 WeakPolarHBondContact O-CG 3.43Å; H629-Y636 PolarHBondContact ND1-O 3.28Å; H629-V638 VanDerWaalsContact CE1-CG2 3.49Å; H629-V638 WeakPolarHBondContact CE1-CG2 3.49Å; H629-V638 WeakPolarHBondContact NE2-CG2 3.29Å |
| 630 | Q | 91.1 | Very high | 92.8 | Very high | 140 Ų | 140 | 81 Ų | 81 | 65% | 0.654 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.3 | -34.2 | 178 | -171.9 | 178.9 | 15.4 | 0 | 0 | 112.6 | A626 M627 L628 | A626-Q630 WeakPolarHBondContact O-CB 3.21Å; A626-Q630 PolarHBondContact O-N 3.42Å; M627-Q630 PolarHBondContact O-N 2.97Å; L628-Q630 PolarHBondContact O-N 2.74Å |
| 631 | S | 92.7 | Very high | 92.6 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.1 | -33.9 | 178.9 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | M627 L628 H629 | M627-S631 PolarHBondContact O-N 3.46Å; M627-S631 PolarHBondContact O-OG 2.96Å; L628-S631 PolarHBondContact O-N 3.44Å; L628-S631 VanDerWaalsContact O-N 3.13Å; L628-S631 PolarHBondContact O-OG 3.39Å; H629-S631 PolarHBondContact O-N 2.76Å |
| 632 | Q | 92.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 75.1 Ų | 75.1 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | trans | -143.9 | 74.4 | -175.4 | -64.3 | 179.6 | 4 | 0 | 0 | 110.8 | L628 H629 D634 Q635 Y636 | L628-Q632 PolarHBondContact O-N 2.98Å; H629-Q632 CarbonylContact O-C 3.42Å; H629-Q632 VanDerWaalsContact O-C 3.28Å; H629-Q632 PolarHBondContact O-N 3.03Å; Q632-D634 PolarHBondContact O-N 3.1Å; Q632-Q635 HydrophobicContact CB-CB 4.28Å; Q632-Q635 PolarHBondContact O-N 3.4Å; Q632-Q635 VanDerWaalsContact O-N 3.1Å; Q632-Y636 HydrophobicContact CB-CD2 4.03Å; Q632-Y636 HydrophobicContact CB-CE2 4.28Å; Q632-Y636 PolarHBondContact O-N 3.42Å | ||
| 633 | P | 88.4 | Confident | 92.4 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.8 | -173.5 | -23.5 | 32.9 | 0 | 0 | 0 | 114 | H629 Q635 | H629-P633 VanDerWaalsContact O-CA 3.26Å; H629-P633 WeakPolarHBondContact O-CA 3.29Å; H629-P633 VanDerWaalsContact O-CD 3.29Å; H629-P633 WeakPolarHBondContact O-CD 3.18Å; H629-P633 VanDerWaalsContact O-CG 3.31Å; H629-P633 WeakPolarHBondContact O-CG 3.43Å; P633-Q635 VanDerWaalsContact C-N 3.3Å; P633-Q635 PolarHBondContact O-N 2.85Å |
| 634 | D | 86.5 | Confident | 92.3 | Very high | 168 Ų | 168 | 75.1 Ų | 75.1 | 90% | 0.898 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -12.4 | -178.9 | -56 | -41.8 | 0 | 0 | 0 | 113.6 | Q632 | Q632-D634 PolarHBondContact O-N 3.1Š|
| 635 | Q | 87.6 | Confident | 92.3 | Very high | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -28.6 | -175.7 | -67.8 | -174.8 | 40.1 | 0 | 0 | 113.8 | Q632 P633 | Q632-Q635 HydrophobicContact CB-CB 4.28Å; Q632-Q635 PolarHBondContact O-N 3.4Å; Q632-Q635 VanDerWaalsContact O-N 3.1Å; P633-Q635 VanDerWaalsContact C-N 3.3Å; P633-Q635 PolarHBondContact O-N 2.85Å |
| 636 | Y | 87.9 | Confident | 92.3 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -121.2 | 134.9 | -177.6 | -62.8 | -80.8 | 0 | 0 | 0 | 109.5 | L628 H629 Q632 | L628-Y636 HydrophobicContact CB-CD1 4.23Å; L628-Y636 HydrophobicContact CB-CD2 3.95Å; L628-Y636 HydrophobicContact CB-CE2 4.25Å; L628-Y636 HydrophobicContact CB-CG 3.94Å; L628-Y636 HydrophobicContact CD1-CD1 4.39Å; L628-Y636 HydrophobicContact CD1-CE1 4.14Å; L628-Y636 HydrophobicContact CD2-CE2 4.34Å; H629-Y636 PolarHBondContact ND1-O 3.28Å; Q632-Y636 HydrophobicContact CB-CD2 4.03Å; Q632-Y636 HydrophobicContact CB-CE2 4.28Å; Q632-Y636 PolarHBondContact O-N 3.42Å |
| 637 | E | 88.8 | Confident | 92.5 | Very high | 177 Ų | 177 | 67.3 Ų | 67.3 | 83% | 0.827 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 157 | 175.3 | -65.8 | 176.9 | 176.5 | 0 | 0 | 110.9 | ||
| 638 | V | 89.4 | Confident | 92.7 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 126.2 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | H629 | H629-V638 VanDerWaalsContact CE1-CG2 3.49Å; H629-V638 WeakPolarHBondContact CE1-CG2 3.49Å; H629-V638 WeakPolarHBondContact NE2-CG2 3.29Å |
| 639 | P | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 145.1 | 176.5 | 31.6 | -36.5 | 0 | 0 | 0 | 110.6 | T622 Q625 A626 K641 | T622-P639 HydrophobicContact CG2-CB 4.18Å; T622-P639 HydrophobicContact CG2-CG 4.45Å; Q625-P639 HydrophobicContact CB-CB 3.81Å; Q625-P639 HydrophobicContact CB-CG 4.09Å; A626-P639 HydrophobicContact CB-CG 3.79Å; P639-K641 PolarHBondContact O-N 3.13Å |
| 640 | D | 93.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 116.4 | 168.8 | -167.1 | -21.4 | 0 | 0 | 0 | 109 | K584 D642 F643 | K584-D640 WeakPolarHBondContact CE-OD2 3.48Å; K584-D640 IonicContact NZ-OD2 3.17Å; K584-D640 PolarHBondContact NZ-OD2 2.95Å; D640-D642 VanDerWaalsContact C-N 3.33Å; D640-D642 WeakPolarHBondContact OD1-CB 3.32Å; D640-D642 PolarHBondContact OD1-N 3.41Å; D640-D642 VanDerWaalsContact OD1-N 3.13Å; D640-F643 HydrophobicContact CB-CD2 4.01Å; D640-F643 HydrophobicContact CB-CE2 4.16Å |
| 641 | K | 95.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.3 | -11.7 | -174.2 | -70.5 | -167.7 | -178.6 | -166.6 | 0 | 112.7 | T622 P639 F643 M644 I645 D681 M683 V686 | T622-K641 HydrophobicContact CG2-CG 4.33Å; P639-K641 PolarHBondContact O-N 3.13Å; K641-F643 PolarHBondContact O-N 3.33Å; K641-M644 HydrophobicContact CB-CE 4.29Å; K641-M644 HydrophobicContact CD-CE 4.08Å; K641-M644 HydrophobicContact CG-CE 4.17Å; K641-M644 WeakPolarHBondContact O-CA 3.34Å; K641-M644 WeakPolarHBondContact O-CB 3.34Å; K641-M644 PolarHBondContact O-N 2.64Å; K641-I645 WeakPolarHBondContact O-CG1 3.34Å; K641-I645 PolarHBondContact O-N 2.68Å; K641-D681 IonicContact NZ-OD1 3.32Å; K641-D681 PolarHBondContact NZ-OD1 3.48Å; K641-D681 IonicContact NZ-OD2 3.95Å; K641-D681 PolarHBondContact NZ-OD2 2.88Å; K641-M683 HydrophobicContact CB-CE 4.18Å; K641-M683 HydrophobicContact CB-SD 3.53Å; K641-M683 VanDerWaalsContact CB-SD 3.53Å; K641-M683 HydrophobicContact CD-CB 4.2Å; K641-M683 HydrophobicContact CD-CE 4.13Å; K641-M683 HydrophobicContact CD-SD 3.68Å; K641-M683 HydrophobicContact CG-SD 4.17Å; K641-V686 HydrophobicContact CB-CG2 4.3Å; K641-V686 HydrophobicContact CD-CG2 4.14Å |
| 642 | D | 93.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -36.4 | 177.9 | -69 | 3.4 | 0 | 0 | 0 | 111.4 | F339 H340 F587 D640 M644 I645 V646 | F339-D642 WeakPolarHBondContact CA-OD2 3.41Å; F339-D642 WeakPolarHBondContact CB-OD2 3.44Å; F339-D642 VanDerWaalsContact CD1-OD2 3.32Å; F339-D642 WeakPolarHBondContact CD1-OD2 3.26Å; H340-D642 HydrophobicContact CB-CB 4.16Å; H340-D642 PolarHBondContact N-OD2 2.86Å; F587-D642 HydrophobicContact CE1-CB 3.95Å; F587-D642 HydrophobicContact CE2-CB 3.87Å; F587-D642 HydrophobicContact CZ-CB 3.5Å; D640-D642 VanDerWaalsContact C-N 3.33Å; D640-D642 WeakPolarHBondContact OD1-CB 3.32Å; D640-D642 PolarHBondContact OD1-N 3.41Å; D640-D642 VanDerWaalsContact OD1-N 3.13Å; D642-M644 PolarHBondContact O-N 3.31Å; D642-I645 PolarHBondContact O-N 2.98Å; D642-I645 VanDerWaalsContact O-N 3.13Å; D642-V646 WeakPolarHBondContact O-CG1 3.34Å; D642-V646 PolarHBondContact O-N 2.96Å |
| 643 | F | 95.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -35.1 | 172.1 | -72.7 | -78 | 0 | 0 | 0 | 113.4 | D581 E582 D583 K584 L586 F587 D640 K641 A647 | D581-F643 WeakPolarHBondContact O-CD1 3.23Å; D581-F643 WeakPolarHBondContact O-CE1 3.32Å; E582-F643 VanDerWaalsContact C-CZ 3.49Å; D583-F643 WeakPolarHBondContact O-CE1 3.33Å; K584-F643 HydrophobicContact CG-CZ 4.29Å; L586-F643 HydrophobicContact CB-CE1 4.42Å; L586-F643 HydrophobicContact CD1-CD1 4.41Å; L586-F643 HydrophobicContact CD1-CE1 4.17Å; F587-F643 HydrophobicContact CD1-CD1 4.5Å; F587-F643 HydrophobicContact CD1-CE1 4.48Å; F587-F643 AromaticContact CE1-CD1 3.64Å; F587-F643 HydrophobicContact CE1-CD1 3.64Å; F587-F643 AromaticContact CE1-CD2 3.97Å; F587-F643 HydrophobicContact CE1-CD2 3.97Å; F587-F643 AromaticContact CE1-CE1 3.65Å; F587-F643 HydrophobicContact CE1-CE1 3.65Å; F587-F643 AromaticContact CE1-CE2 4Å; F587-F643 HydrophobicContact CE1-CE2 4Å; F587-F643 AromaticContact CE1-CG 3.8Å; F587-F643 HydrophobicContact CE1-CG 3.8Å; F587-F643 AromaticContact CE1-CZ 3.83Å; F587-F643 HydrophobicContact CE1-CZ 3.83Å; F587-F643 HydrophobicContact CZ-CD1 4.44Å; F587-F643 HydrophobicContact CZ-CD2 4.04Å; F587-F643 HydrophobicContact CZ-CE1 4.24Å; F587-F643 AromaticContact CZ-CE2 3.84Å; F587-F643 HydrophobicContact CZ-CE2 3.84Å; F587-F643 HydrophobicContact CZ-CG 4.34Å; F587-F643 AromaticContact CZ-CZ 3.94Å; F587-F643 HydrophobicContact CZ-CZ 3.94Å; D640-F643 HydrophobicContact CB-CD2 4.01Å; D640-F643 HydrophobicContact CB-CE2 4.16Å; K641-F643 PolarHBondContact O-N 3.33Å; F643-A647 WeakPolarHBondContact O-CB 3.5Å; F643-A647 PolarHBondContact O-N 3.27Å |
| 644 | M | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.2 | -41.2 | 176.9 | 173.1 | 171.6 | 58.4 | 0 | 0 | 110.7 | V619 T622 L623 K641 D642 A647 L648 V686 | V619-M644 HydrophobicContact CB-CG 4.37Å; V619-M644 HydrophobicContact CG1-CG 4.1Å; V619-M644 HydrophobicContact CG1-SD 4.25Å; V619-M644 HydrophobicContact CG2-CG 4.14Å; T622-M644 HydrophobicContact CG2-CB 3.83Å; T622-M644 HydrophobicContact CG2-CE 4.27Å; T622-M644 HydrophobicContact CG2-SD 4.48Å; L623-M644 HydrophobicContact CD1-SD 4.43Å; L623-M644 HydrophobicContact CD2-CE 4.49Å; L623-M644 HydrophobicContact CD2-SD 3.8Å; L623-M644 HydrophobicContact CG-SD 3.78Å; K641-M644 HydrophobicContact CB-CE 4.29Å; K641-M644 HydrophobicContact CD-CE 4.08Å; K641-M644 HydrophobicContact CG-CE 4.17Å; K641-M644 WeakPolarHBondContact O-CA 3.34Å; K641-M644 WeakPolarHBondContact O-CB 3.34Å; K641-M644 PolarHBondContact O-N 2.64Å; D642-M644 PolarHBondContact O-N 3.31Å; M644-A647 PolarHBondContact O-N 3.36Å; M644-L648 HydrophobicContact CG-CD1 4.01Å; M644-L648 HydrophobicContact CG-CG 4.49Å; M644-L648 VanDerWaalsContact O-CG 3.23Å; M644-L648 WeakPolarHBondContact O-CG 3.45Å; M644-L648 PolarHBondContact O-N 2.89Å; M644-V686 HydrophobicContact CE-CB 4.11Å; M644-V686 HydrophobicContact CE-CG1 3.43Å; M644-V686 VanDerWaalsContact CE-CG1 3.43Å; M644-V686 HydrophobicContact CE-CG2 3.47Å; M644-V686 VanDerWaalsContact CE-CG2 3.47Å; M644-V686 HydrophobicContact SD-CG1 4.06Å |
| 645 | I | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -52.9 | -179.6 | -60.6 | 165.2 | 0 | 0 | 0 | 110 | H340 S342 K641 D642 A647 L648 D649 M683 E685 V686 S689 | H340-I645 WeakPolarHBondContact CD2-CG2 3.36Å; H340-I645 WeakPolarHBondContact NE2-CG2 3.25Å; S342-I645 WeakPolarHBondContact OG-CG2 3.26Å; K641-I645 WeakPolarHBondContact O-CG1 3.34Å; K641-I645 PolarHBondContact O-N 2.68Å; D642-I645 PolarHBondContact O-N 2.98Å; D642-I645 VanDerWaalsContact O-N 3.13Å; I645-A647 VanDerWaalsContact C-N 3.25Å; I645-A647 PolarHBondContact O-N 3.4Å; I645-L648 WeakPolarHBondContact O-CB 3.4Å; I645-L648 PolarHBondContact O-N 3.06Å; I645-D649 PolarHBondContact O-N 3.03Å; I645-M683 HydrophobicContact CD1-SD 4.05Å; I645-E685 HydrophobicContact CD1-CB 3.6Å; I645-E685 HydrophobicContact CG1-CB 4.42Å; I645-V686 HydrophobicContact CD1-CG2 4.07Å; I645-V686 HydrophobicContact CG1-CG2 3.73Å; I645-S689 VanDerWaalsContact CG2-OG 3.27Å; I645-S689 WeakPolarHBondContact CG2-OG 3.27Å |
| 646 | V | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -33.4 | -179.4 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | H340 F587 L590 E591 D642 D649 L650 | H340-V646 HydrophobicContact CB-CB 4.3Å; H340-V646 VanDerWaalsContact CD2-CA 3.48Å; H340-V646 WeakPolarHBondContact CD2-CA 3.47Å; H340-V646 PolarHBondContact CD2-N 3.31Å; H340-V646 VanDerWaalsContact NE2-CA 3.32Å; H340-V646 WeakPolarHBondContact NE2-CA 3.41Å; H340-V646 PolarHBondContact NE2-N 2.96Å; F587-V646 HydrophobicContact CD1-CG1 4.04Å; L590-V646 HydrophobicContact CB-CG1 4.44Å; L590-V646 HydrophobicContact CB-CG2 3.46Å; L590-V646 VanDerWaalsContact CB-CG2 3.46Å; L590-V646 HydrophobicContact CD1-CG1 3.74Å; L590-V646 HydrophobicContact CD1-CG2 4.32Å; E591-V646 HydrophobicContact CG-CG2 4.11Å; D642-V646 WeakPolarHBondContact O-CG1 3.34Å; D642-V646 PolarHBondContact O-N 2.96Å; V646-D649 PolarHBondContact O-N 3.2Å; V646-L650 WeakPolarHBondContact O-CB 3.26Å; V646-L650 PolarHBondContact O-N 3.36Å |
| 647 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.1 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C615 L618 V619 F643 M644 I645 L651 | C615-A647 HydrophobicContact CB-CB 3.94Å; L618-A647 HydrophobicContact CB-CB 4.02Å; L618-A647 HydrophobicContact CD1-CB 4.26Å; V619-A647 HydrophobicContact CG2-CB 3.89Å; F643-A647 WeakPolarHBondContact O-CB 3.5Å; F643-A647 PolarHBondContact O-N 3.27Å; M644-A647 PolarHBondContact O-N 3.36Å; I645-A647 VanDerWaalsContact C-N 3.25Å; I645-A647 PolarHBondContact O-N 3.4Å; A647-L651 WeakPolarHBondContact O-CB 3.25Å; A647-L651 WeakPolarHBondContact O-CD1 3.45Å; A647-L651 WeakPolarHBondContact O-CG 3.47Å; A647-L651 PolarHBondContact O-N 3.28Å; A647-L651 VanDerWaalsContact O-N 3.09Å |
| 648 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 174.4 | -72 | 167.7 | 0 | 0 | 0 | 111.1 | V619 M644 I645 L651 S652 C678 V686 L693 | V619-L648 HydrophobicContact CG2-CD2 4.05Å; V619-L648 HydrophobicContact CG2-CG 3.99Å; M644-L648 HydrophobicContact CG-CD1 4.01Å; M644-L648 HydrophobicContact CG-CG 4.49Å; M644-L648 VanDerWaalsContact O-CG 3.23Å; M644-L648 WeakPolarHBondContact O-CG 3.45Å; M644-L648 PolarHBondContact O-N 2.89Å; I645-L648 WeakPolarHBondContact O-CB 3.4Å; I645-L648 PolarHBondContact O-N 3.06Å; L648-L651 WeakPolarHBondContact O-CB 3.43Å; L648-L651 PolarHBondContact O-N 3.29Å; L648-S652 PolarHBondContact O-N 2.91Å; L648-C678 HydrophobicContact CD1-CB 4.28Å; L648-V686 HydrophobicContact CD1-CG1 4.47Å; L648-L693 HydrophobicContact CD2-CD2 3.75Å |
| 649 | D | 96.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | -178.9 | -74.8 | -5.9 | 0 | 0 | 0 | 112 | H340 R343 S594 I645 V646 L651 S652 G653 S689 | H340-D649 IonicContact CE1-OD2 2.92Å; H340-D649 IonicContact NE2-OD2 2.82Å; H340-D649 PolarHBondContact NE2-OD2 2.99Å; R343-D649 HydrophobicContact CB-CB 4.47Å; R343-D649 WeakPolarHBondContact CB-OD2 3.4Å; R343-D649 PolarHBondContact N-OD2 3.36Å; S594-D649 PolarHBondContact OG-O 3.03Å; I645-D649 PolarHBondContact O-N 3.03Å; V646-D649 PolarHBondContact O-N 3.2Å; D649-L651 PolarHBondContact O-N 2.78Å; D649-S652 WeakPolarHBondContact O-CA 3.37Å; D649-S652 WeakPolarHBondContact O-CB 3.34Å; D649-S652 PolarHBondContact O-N 3.4Å; D649-S652 VanDerWaalsContact O-N 3.09Å; D649-G653 PolarHBondContact O-N 2.9Å; D649-S689 VanDerWaalsContact CG-OG 3.26Å; D649-S689 WeakPolarHBondContact OD1-CA 3.28Å; D649-S689 WeakPolarHBondContact OD1-CB 3.3Å; D649-S689 PolarHBondContact OD1-OG 3.37Å; D649-S689 PolarHBondContact OD2-OG 2.98Å |
| 650 | L | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 171.1 | 174.6 | 61.9 | 0 | 0 | 0 | 112.5 | L590 L593 V611 C615 V646 S652 G653 L654 | L590-L650 HydrophobicContact CD2-CD2 3.29Å; L590-L650 HydrophobicContact CG-CD2 4.42Å; L593-L650 HydrophobicContact CB-CD1 4.02Å; V611-L650 HydrophobicContact CG1-CD1 4.29Å; V611-L650 HydrophobicContact CG1-CD2 3.41Å; V611-L650 VanDerWaalsContact CG1-CD2 3.41Å; V611-L650 HydrophobicContact CG1-CG 4.08Å; C615-L650 WeakPolarHBondContact SG-CD2 3.43Å; V646-L650 WeakPolarHBondContact O-CB 3.26Å; V646-L650 PolarHBondContact O-N 3.36Å; L650-S652 PolarHBondContact O-N 2.84Å; L650-G653 PolarHBondContact O-N 3.26Å; L650-L654 HydrophobicContact CD1-CG 4.37Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.3Å |
| 651 | L | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | 173 | -74.3 | 166.8 | 0 | 0 | 0 | 111.1 | Y612 C615 V616 A647 L648 D649 L654 A655 I671 L693 | Y612-L651 HydrophobicContact CD2-CD2 3.28Å; Y612-L651 HydrophobicContact CE2-CD2 3.5Å; Y612-L651 VanDerWaalsContact CE2-CD2 3.5Å; Y612-L651 HydrophobicContact CG-CD2 3.97Å; C615-L651 HydrophobicContact CB-CD1 3.81Å; C615-L651 HydrophobicContact CB-CD2 3.86Å; C615-L651 HydrophobicContact CB-CG 3.56Å; V616-L651 HydrophobicContact CG2-CD1 4.24Å; V616-L651 HydrophobicContact CG2-CD2 4.25Å; A647-L651 WeakPolarHBondContact O-CB 3.25Å; A647-L651 WeakPolarHBondContact O-CD1 3.45Å; A647-L651 WeakPolarHBondContact O-CG 3.47Å; A647-L651 PolarHBondContact O-N 3.28Å; A647-L651 VanDerWaalsContact O-N 3.09Å; L648-L651 WeakPolarHBondContact O-CB 3.43Å; L648-L651 PolarHBondContact O-N 3.29Å; D649-L651 PolarHBondContact O-N 2.78Å; L651-L654 HydrophobicContact CD2-CD1 4.5Å; L651-A655 WeakPolarHBondContact O-CB 3.21Å; L651-A655 PolarHBondContact O-N 3.37Å; L651-I671 HydrophobicContact CD1-CD1 3.86Å; L651-L693 HydrophobicContact CB-CD1 3.79Å; L651-L693 HydrophobicContact CB-CD2 4.03Å; L651-L693 HydrophobicContact CD1-CD2 4.34Å |
| 652 | S | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -51.1 | 173.8 | -142.8 | 0 | 0 | 0 | 0 | 110.2 | L648 D649 L650 L654 A655 E656 A692 L693 D696 | L648-S652 PolarHBondContact O-N 2.91Å; D649-S652 WeakPolarHBondContact O-CA 3.37Å; D649-S652 WeakPolarHBondContact O-CB 3.34Å; D649-S652 PolarHBondContact O-N 3.4Å; D649-S652 VanDerWaalsContact O-N 3.09Å; L650-S652 PolarHBondContact O-N 2.84Å; S652-L654 VanDerWaalsContact C-N 3.31Å; S652-L654 PolarHBondContact O-N 3.24Å; S652-A655 WeakPolarHBondContact O-CB 3.19Å; S652-A655 PolarHBondContact O-N 2.98Å; S652-E656 WeakPolarHBondContact O-CB 3.24Å; S652-E656 PolarHBondContact O-N 2.98Å; S652-A692 VanDerWaalsContact OG-C 3.28Å; S652-A692 PolarHBondContact OG-O 3.43Å; S652-L693 WeakPolarHBondContact OG-CA 3.42Å; S652-L693 PolarHBondContact OG-N 2.88Å; S652-D696 PolarHBondContact OG-OD2 2.93Å |
| 653 | G | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T598 D649 L650 E656 G657 | T598-G653 WeakPolarHBondContact OG1-CA 3.47Å; T598-G653 PolarHBondContact OG1-O 3.1Å; D649-G653 PolarHBondContact O-N 2.9Å; L650-G653 PolarHBondContact O-N 3.26Å; G653-E656 PolarHBondContact O-N 3.21Å; G653-G657 PolarHBondContact O-N 3.37Å |
| 654 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 171.8 | -74.5 | 175.8 | 0 | 0 | 0 | 112.4 | A597 F604 C608 V611 Y612 L650 L651 S652 E656 L658 I662 | A597-L654 HydrophobicContact CB-CD2 3.93Å; F604-L654 HydrophobicContact CD1-CD2 3.66Å; F604-L654 HydrophobicContact CE1-CD2 3.6Å; C608-L654 HydrophobicContact CB-CD2 4.25Å; V611-L654 HydrophobicContact CG1-CD1 3.96Å; Y612-L654 HydrophobicContact CD2-CD1 4.32Å; L650-L654 HydrophobicContact CD1-CG 4.37Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.3Å; L651-L654 HydrophobicContact CD2-CD1 4.5Å; S652-L654 VanDerWaalsContact C-N 3.31Å; S652-L654 PolarHBondContact O-N 3.24Å; L654-E656 VanDerWaalsContact C-N 3.33Å; L654-L658 HydrophobicContact CD2-CD1 4.25Å; L654-L658 WeakPolarHBondContact O-CB 3.36Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.32Å; L654-L658 PolarHBondContact O-N 3.06Å; L654-I662 HydrophobicContact CB-CD1 3.96Å |
| 655 | A | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L651 S652 G659 I662 D696 L697 | L651-A655 WeakPolarHBondContact O-CB 3.21Å; L651-A655 PolarHBondContact O-N 3.37Å; S652-A655 WeakPolarHBondContact O-CB 3.19Å; S652-A655 PolarHBondContact O-N 2.98Å; A655-G659 VanDerWaalsContact O-CA 3.29Å; A655-G659 WeakPolarHBondContact O-CA 3.49Å; A655-G659 PolarHBondContact O-N 3.31Å; A655-G659 VanDerWaalsContact O-N 3.08Å; A655-I662 HydrophobicContact CB-CD1 3.97Å; A655-D696 HydrophobicContact CB-CB 3.8Å; A655-L697 HydrophobicContact CB-CD2 3.95Å; A655-L697 HydrophobicContact CB-CG 4.5Å |
| 656 | E | 95.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 22.3 Ų | 22.3 | 35% | 0.346 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66 | -53.8 | 174.9 | -172.6 | 175.5 | -179.2 | 0 | 0 | 111.9 | R343 T598 S652 G653 L654 | R343-E656 IonicContact CZ-OE2 2.76Å; R343-E656 VanDerWaalsContact CZ-OE2 3.26Å; R343-E656 IonicContact NH1-OE2 3.5Å; R343-E656 PolarHBondContact NH1-OE2 3.12Å; R343-E656 IonicContact NH2-OE1 3.73Å; R343-E656 IonicContact NH2-OE2 2.81Å; R343-E656 PolarHBondContact NH2-OE2 3.31Å; T598-E656 HydrophobicContact CG2-CG 4.05Å; S652-E656 WeakPolarHBondContact O-CB 3.24Å; S652-E656 PolarHBondContact O-N 2.98Å; G653-E656 PolarHBondContact O-N 3.21Å; L654-E656 VanDerWaalsContact C-N 3.33Å |
| 657 | G | 94.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q601 G653 | Q601-G657 CarbonylContact C-O 3.35Å; Q601-G657 WeakPolarHBondContact CA-O 3.24Å; Q601-G657 WeakPolarHBondContact CB-O 3.01Å; G653-G657 PolarHBondContact O-N 3.37Å |
| 658 | L | 96.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -81 | -20.3 | -177.8 | -58.6 | 178.3 | 0 | 0 | 0 | 113 | Q601 F604 L605 C608 L654 G660 T661 I662 | Q601-L658 WeakPolarHBondContact O-CD2 3.42Å; F604-L658 HydrophobicContact CB-CD2 4.3Å; L605-L658 HydrophobicContact CD2-CD2 3.72Å; L605-L658 HydrophobicContact CG-CD2 4.01Å; C608-L658 HydrophobicContact CB-CD1 3.57Å; L654-L658 HydrophobicContact CD2-CD1 4.25Å; L654-L658 WeakPolarHBondContact O-CB 3.36Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.32Å; L654-L658 PolarHBondContact O-N 3.06Å; L658-G660 PolarHBondContact O-N 2.79Å; L658-T661 WeakPolarHBondContact O-CB 3.36Å; L658-T661 PolarHBondContact O-N 3.09Å; L658-T661 VanDerWaalsContact O-N 3.11Å; L658-T661 PolarHBondContact O-OG1 3.2Å; L658-I662 HydrophobicContact CB-CB 4.28Å; L658-I662 HydrophobicContact CD1-CB 4.46Å; L658-I662 HydrophobicContact CD1-CG1 4.41Å |
| 659 | G | 95.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | 49.9 | -134.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A655 T661 I662 | A655-G659 VanDerWaalsContact O-CA 3.29Å; A655-G659 WeakPolarHBondContact O-CA 3.49Å; A655-G659 PolarHBondContact O-N 3.31Å; A655-G659 VanDerWaalsContact O-N 3.08Å; G659-T661 PolarHBondContact O-N 3.15Å; G659-I662 VanDerWaalsContact O-CG2 3.24Å; G659-I662 WeakPolarHBondContact O-CG2 3.24Å; G659-I662 PolarHBondContact O-N 3.31Å; G659-I662 VanDerWaalsContact O-N 3.09Å |
| 660 | G | 94.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -59.2 | -12 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L658 I662 E663 A700 | L658-G660 PolarHBondContact O-N 2.79Å; G660-I662 VanDerWaalsContact C-N 3.26Å; G660-I662 PolarHBondContact O-N 3.19Å; G660-E663 VanDerWaalsContact O-CB 3.23Å; G660-E663 WeakPolarHBondContact O-CB 3.48Å; G660-E663 PolarHBondContact O-N 3.12Å; G660-A700 WeakPolarHBondContact CA-O 3.23Å |
| 661 | T | 96.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 38.2 Ų | 38.2 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -71.2 | -22.7 | 176.1 | -35.3 | 0 | 0 | 0 | 0 | 112.7 | L605 L658 G659 E663 | L605-T661 HydrophobicContact CD1-CG2 4.08Å; L605-T661 HydrophobicContact CD2-CG2 3.33Å; L605-T661 HydrophobicContact CG-CG2 4.35Å; L658-T661 WeakPolarHBondContact O-CB 3.36Å; L658-T661 PolarHBondContact O-N 3.09Å; L658-T661 VanDerWaalsContact O-N 3.11Å; L658-T661 PolarHBondContact O-OG1 3.2Å; G659-T661 PolarHBondContact O-N 3.15Å; T661-E663 PolarHBondContact O-N 2.92Å |
| 662 | I | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -68.6 | -16.2 | 178 | -156 | 171.9 | 0 | 0 | 0 | 112.9 | Y612 L654 A655 L658 G659 G660 Q664 L665 V666 A700 | Y612-I662 HydrophobicContact CD2-CD1 4.08Å; Y612-I662 HydrophobicContact CD2-CG1 4.37Å; Y612-I662 HydrophobicContact CE2-CD1 4.02Å; Y612-I662 HydrophobicContact CE2-CG1 4.28Å; L654-I662 HydrophobicContact CB-CD1 3.96Å; A655-I662 HydrophobicContact CB-CD1 3.97Å; L658-I662 HydrophobicContact CB-CB 4.28Å; L658-I662 HydrophobicContact CD1-CB 4.46Å; L658-I662 HydrophobicContact CD1-CG1 4.41Å; G659-I662 VanDerWaalsContact O-CG2 3.24Å; G659-I662 WeakPolarHBondContact O-CG2 3.24Å; G659-I662 PolarHBondContact O-N 3.31Å; G659-I662 VanDerWaalsContact O-N 3.09Å; G660-I662 VanDerWaalsContact C-N 3.26Å; G660-I662 PolarHBondContact O-N 3.19Å; I662-Q664 VanDerWaalsContact C-N 3.25Å; I662-Q664 PolarHBondContact O-N 3.42Å; I662-Q664 VanDerWaalsContact O-N 3.08Å; I662-L665 HydrophobicContact CG1-CB 4.43Å; I662-L665 HydrophobicContact CG1-CD1 4.27Å; I662-L665 WeakPolarHBondContact O-CB 3.47Å; I662-L665 PolarHBondContact O-N 2.87Å; I662-V666 HydrophobicContact CG1-CG2 4.3Å; I662-V666 HydrophobicContact CG2-CG2 4.2Å; I662-V666 PolarHBondContact O-N 3.44Å; I662-V666 VanDerWaalsContact O-N 3.16Å; I662-A700 HydrophobicContact CG2-CB 3.93Å |
| 663 | E | 97.6 | Very high | 96.8 | Very high | 55 Ų | 55 | 44 Ų | 44 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -47.7 | -43.6 | -173.9 | -175.5 | -77.3 | 151.5 | 0 | 0 | 113.7 | G660 T661 L665 V666 A667 C701 H704 | G660-E663 VanDerWaalsContact O-CB 3.23Å; G660-E663 WeakPolarHBondContact O-CB 3.48Å; G660-E663 PolarHBondContact O-N 3.12Å; T661-E663 PolarHBondContact O-N 2.92Å; E663-L665 VanDerWaalsContact C-N 3.29Å; E663-L665 PolarHBondContact O-N 3.14Å; E663-V666 PolarHBondContact O-N 3.21Å; E663-A667 WeakPolarHBondContact O-CB 3.25Å; E663-A667 PolarHBondContact O-N 3.49Å; E663-C701 HydrophobicContact CB-CB 4.11Å; E663-C701 HydrophobicContact CG-CB 4.12Å; E663-H704 IonicContact OE1-CD2 2.88Å; E663-H704 IonicContact OE1-CE1 3.07Å; E663-H704 PolarHBondContact OE1-CE1 2.73Å; E663-H704 IonicContact OE1-NE2 3.44Å; E663-H704 PolarHBondContact OE1-NE2 3.39Å |
| 664 | Q | 96.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -68.3 | -30 | -177 | -65 | -173.3 | 12 | 0 | 0 | 112.8 | I662 R668 | I662-Q664 VanDerWaalsContact C-N 3.25Å; I662-Q664 PolarHBondContact O-N 3.42Å; I662-Q664 VanDerWaalsContact O-N 3.08Å; Q664-R668 WeakPolarHBondContact O-CG 3.43Å |
| 665 | L | 97.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.6 | -42.3 | 176.8 | -62.8 | 171.7 | 0 | 0 | 0 | 110 | E609 Y612 I662 E663 R668 S669 | E609-L665 HydrophobicContact CB-CD2 4.18Å; E609-L665 HydrophobicContact CG-CD2 3.99Å; Y612-L665 HydrophobicContact CD1-CB 3.88Å; Y612-L665 HydrophobicContact CD2-CB 4.3Å; Y612-L665 HydrophobicContact CD2-CD1 4.4Å; Y612-L665 HydrophobicContact CE1-CB 3.84Å; Y612-L665 HydrophobicContact CE2-CB 4.29Å; Y612-L665 HydrophobicContact CG-CB 4.11Å; Y612-L665 HydrophobicContact CG-CD1 4.12Å; I662-L665 HydrophobicContact CG1-CB 4.43Å; I662-L665 HydrophobicContact CG1-CD1 4.27Å; I662-L665 WeakPolarHBondContact O-CB 3.47Å; I662-L665 PolarHBondContact O-N 2.87Å; E663-L665 VanDerWaalsContact C-N 3.29Å; E663-L665 PolarHBondContact O-N 3.14Å; L665-R668 PolarHBondContact O-N 3Å; L665-S669 PolarHBondContact O-N 3.37Å |
| 666 | V | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | Y612 I662 E663 R668 S669 I671 L697 H704 | Y612-V666 HydrophobicContact CE2-CG2 4.41Å; Y612-V666 WeakPolarHBondContact OH-CA 3.4Å; I662-V666 HydrophobicContact CG1-CG2 4.3Å; I662-V666 HydrophobicContact CG2-CG2 4.2Å; I662-V666 PolarHBondContact O-N 3.44Å; I662-V666 VanDerWaalsContact O-N 3.16Å; E663-V666 PolarHBondContact O-N 3.21Å; V666-R668 PolarHBondContact O-N 2.99Å; V666-R668 VanDerWaalsContact O-N 3.1Å; V666-S669 PolarHBondContact O-N 3.4Å; V666-S669 VanDerWaalsContact O-N 3.1Å; V666-S669 PolarHBondContact O-OG 3.04Å; V666-I671 HydrophobicContact CG1-CG2 4.12Å; V666-L697 HydrophobicContact CG2-CD2 3.75Å; V666-H704 HydrophobicContact CG1-CB 4.19Å |
| 667 | A | 97.1 | Very high | 97 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | E663 | E663-A667 WeakPolarHBondContact O-CB 3.25Å; E663-A667 PolarHBondContact O-N 3.49Å |
| 668 | R | 96.6 | Very high | 97.2 | Very high | 193 Ų | 193 | 48.7 Ų | 48.7 | 73% | 0.728 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 1.3 | -178.7 | -64.8 | 177.1 | -171.8 | 171.1 | 8.4 | 113.4 | Q664 L665 V666 | Q664-R668 WeakPolarHBondContact O-CG 3.43Å; L665-R668 PolarHBondContact O-N 3Å; V666-R668 PolarHBondContact O-N 2.99Å; V666-R668 VanDerWaalsContact O-N 3.1Å |
| 669 | S | 97.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -114.6 | 170.8 | -178.3 | 84.8 | 0 | 0 | 0 | 0 | 112.6 | Y612 L665 V666 I671 | Y612-S669 PolarHBondContact OH-OG 2.9Å; L665-S669 PolarHBondContact O-N 3.37Å; V666-S669 PolarHBondContact O-N 3.4Å; V666-S669 VanDerWaalsContact O-N 3.1Å; V666-S669 PolarHBondContact O-OG 3.04Å; S669-I671 VanDerWaalsContact OG-CG2 3.29Å; S669-I671 WeakPolarHBondContact OG-CG2 3.47Å; S669-I671 PolarHBondContact OG-N 3.26Å |
| 670 | N | 97.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | trans | -100.6 | 19.1 | 174.4 | 60.7 | -28 | 0 | 0 | 0 | 112.4 | Q620 L672 T673 L674 | Q620-N670 PolarHBondContact OE1-ND2 3.47Å; N670-L672 VanDerWaalsContact C-N 3.3Å; N670-L672 PolarHBondContact O-N 3.18Å; N670-T673 WeakPolarHBondContact O-CB 3.37Å; N670-T673 PolarHBondContact O-N 3.46Å; N670-L674 PolarHBondContact O-N 3.06Å; N670-L674 VanDerWaalsContact O-N 3.16Å | ||
| 671 | I | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56 | -41.8 | -171.5 | -174.1 | 54.9 | 0 | 0 | 0 | 112.6 | Y612 V616 L651 V666 S669 T673 L674 M675 L693 | Y612-I671 WeakPolarHBondContact OH-CG2 3.42Å; V616-I671 HydrophobicContact CG2-CD1 4.45Å; L651-I671 HydrophobicContact CD1-CD1 3.86Å; V666-I671 HydrophobicContact CG1-CG2 4.12Å; S669-I671 VanDerWaalsContact OG-CG2 3.29Å; S669-I671 WeakPolarHBondContact OG-CG2 3.47Å; S669-I671 PolarHBondContact OG-N 3.26Å; I671-T673 VanDerWaalsContact C-N 3.27Å; I671-T673 PolarHBondContact O-N 2.81Å; I671-L674 CarbonylContact O-C 3.44Å; I671-L674 WeakPolarHBondContact O-CB 3.4Å; I671-L674 PolarHBondContact O-N 2.99Å; I671-M675 HydrophobicContact CD1-CG 4.33Å; I671-M675 HydrophobicContact CG1-CG 4.27Å; I671-M675 HydrophobicContact CG1-SD 4.46Å; I671-M675 WeakPolarHBondContact O-CG 3.33Å; I671-M675 PolarHBondContact O-N 3.32Å; I671-L693 HydrophobicContact CD1-CD2 4.07Å; I671-L693 HydrophobicContact CG1-CD2 4.16Å |
| 672 | L | 97.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 179.6 | -61.7 | 177 | 0 | 0 | 0 | 112.8 | N670 M675 Y676 L697 H704 V705 | N670-L672 VanDerWaalsContact C-N 3.3Å; N670-L672 PolarHBondContact O-N 3.18Å; L672-M675 HydrophobicContact CD2-CE 3.35Å; L672-M675 HydrophobicContact CD2-SD 4.35Å; L672-Y676 PolarHBondContact O-N 2.69Å; L672-L697 HydrophobicContact CD2-CD1 4.31Å; L672-H704 HydrophobicContact CD1-CB 4.04Å; L672-H704 WeakPolarHBondContact CD1-O 3.34Å; L672-V705 HydrophobicContact CD2-CG2 4.29Å |
| 673 | T | 97.7 | Very high | 97.4 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 174.3 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | N670 I671 | N670-T673 WeakPolarHBondContact O-CB 3.37Å; N670-T673 PolarHBondContact O-N 3.46Å; I671-T673 VanDerWaalsContact C-N 3.27Å; I671-T673 PolarHBondContact O-N 2.81Å |
| 674 | L | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 175.8 | -58.8 | 176.6 | 0 | 0 | 0 | 110.7 | V616 V619 Q620 L623 N670 I671 Y676 Q677 C678 | V616-L674 HydrophobicContact CG1-CD1 3.95Å; V619-L674 HydrophobicContact CB-CD1 4.45Å; V619-L674 HydrophobicContact CG1-CB 4.09Å; V619-L674 HydrophobicContact CG1-CD1 4.16Å; Q620-L674 HydrophobicContact CB-CD1 4.07Å; Q620-L674 HydrophobicContact CB-CD2 4.23Å; Q620-L674 HydrophobicContact CG-CD2 4.32Å; L623-L674 HydrophobicContact CD1-CB 4.33Å; L623-L674 HydrophobicContact CD1-CD2 4.1Å; N670-L674 PolarHBondContact O-N 3.06Å; N670-L674 VanDerWaalsContact O-N 3.16Å; I671-L674 CarbonylContact O-C 3.44Å; I671-L674 WeakPolarHBondContact O-CB 3.4Å; I671-L674 PolarHBondContact O-N 2.99Å; L674-Y676 VanDerWaalsContact C-N 3.28Å; L674-Y676 PolarHBondContact O-N 2.9Å; L674-Q677 WeakPolarHBondContact O-CA 3.46Å; L674-Q677 WeakPolarHBondContact O-CB 3.41Å; L674-Q677 PolarHBondContact O-N 3.2Å; L674-C678 PolarHBondContact O-N 2.91Å; L674-C678 PolarHBondContact O-SG 2.98Å; L674-C678 VanDerWaalsContact O-SG 3.36Å |
| 675 | M | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -40.3 | 176.3 | -70 | -172.2 | -19.3 | 0 | 0 | 112.1 | I671 L672 Q677 C678 M679 L693 L694 L697 F712 | I671-M675 HydrophobicContact CD1-CG 4.33Å; I671-M675 HydrophobicContact CG1-CG 4.27Å; I671-M675 HydrophobicContact CG1-SD 4.46Å; I671-M675 WeakPolarHBondContact O-CG 3.33Å; I671-M675 PolarHBondContact O-N 3.32Å; L672-M675 HydrophobicContact CD2-CE 3.35Å; L672-M675 HydrophobicContact CD2-SD 4.35Å; M675-Q677 PolarHBondContact O-N 2.84Å; M675-C678 PolarHBondContact O-N 3.23Å; M675-C678 VanDerWaalsContact O-N 3.14Å; M675-M679 WeakPolarHBondContact O-CB 3.36Å; M675-M679 WeakPolarHBondContact O-CG 3.42Å; M675-M679 PolarHBondContact O-N 2.95Å; M675-L693 HydrophobicContact CG-CD2 4.2Å; M675-L693 HydrophobicContact SD-CD2 3.86Å; M675-L693 HydrophobicContact SD-CG 3.89Å; M675-L694 HydrophobicContact CE-CB 4.43Å; M675-L694 HydrophobicContact CE-CD1 3.87Å; M675-L697 HydrophobicContact CE-CD1 4.35Å; M675-L697 HydrophobicContact SD-CD1 3.74Å; M675-F712 HydrophobicContact CE-CE2 3.75Å; M675-F712 HydrophobicContact CE-CZ 4.06Å |
| 676 | Y | 98.1 | Very high | 97.3 | Very high | 102 Ų | 102 | 54.4 Ų | 54.4 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.8 | -36.7 | 175.1 | -177.7 | -106.2 | 0 | 0 | 0 | 112.2 | L672 L674 Q680 D711 F712 I715 | L672-Y676 PolarHBondContact O-N 2.69Å; L674-Y676 VanDerWaalsContact C-N 3.28Å; L674-Y676 PolarHBondContact O-N 2.9Å; Y676-Q680 PolarHBondContact O-NE2 3.44Å; Y676-D711 HydrophobicContact CE2-CB 4.13Å; Y676-F712 HydrophobicContact CD2-CD1 4.24Å; Y676-F712 AromaticContact CD2-CE1 3.94Å; Y676-F712 HydrophobicContact CD2-CE1 3.94Å; Y676-F712 HydrophobicContact CG-CE1 4.49Å; Y676-I715 HydrophobicContact CD2-CD1 3.98Å; Y676-I715 HydrophobicContact CE2-CD1 3.79Å |
| 677 | Q | 98.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.6 | -45.1 | 175.7 | -61.4 | -175.9 | -10.3 | 0 | 0 | 111.7 | L623 M627 L674 M675 M679 Q680 D681 | L623-Q677 HydrophobicContact CD1-CB 4.17Å; L623-Q677 HydrophobicContact CD2-CB 4.24Å; M627-Q677 VanDerWaalsContact CE-OE1 3.22Å; L674-Q677 WeakPolarHBondContact O-CA 3.46Å; L674-Q677 WeakPolarHBondContact O-CB 3.41Å; L674-Q677 PolarHBondContact O-N 3.2Å; M675-Q677 PolarHBondContact O-N 2.84Å; Q677-M679 PolarHBondContact O-N 2.95Å; Q677-Q680 CarbonylContact O-C 3.54Å; Q677-Q680 PolarHBondContact O-N 3.31Å; Q677-Q680 VanDerWaalsContact O-N 3.09Å; Q677-D681 PolarHBondContact O-N 2.93Å |
| 678 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | L648 L674 M675 Q680 D681 V686 | L648-C678 HydrophobicContact CD1-CB 4.28Å; L674-C678 PolarHBondContact O-N 2.91Å; L674-C678 PolarHBondContact O-SG 2.98Å; L674-C678 VanDerWaalsContact O-SG 3.36Å; M675-C678 PolarHBondContact O-N 3.23Å; M675-C678 VanDerWaalsContact O-N 3.14Å; C678-Q680 PolarHBondContact O-N 3.05Å; C678-Q680 VanDerWaalsContact O-N 3.09Å; C678-D681 VanDerWaalsContact O-CB 3.32Å; C678-D681 WeakPolarHBondContact O-CB 3.47Å; C678-D681 PolarHBondContact O-N 3.37Å; C678-V686 HydrophobicContact CB-CG1 3.97Å |
| 679 | M | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.3 | 178.4 | -66.9 | 167.8 | 67.8 | 0 | 0 | 113.4 | M675 Q677 R687 S690 F691 L694 F712 I715 L716 | M675-M679 WeakPolarHBondContact O-CB 3.36Å; M675-M679 WeakPolarHBondContact O-CG 3.42Å; M675-M679 PolarHBondContact O-N 2.95Å; Q677-M679 PolarHBondContact O-N 2.95Å; M679-R687 WeakPolarHBondContact O-CD 3.47Å; M679-S690 WeakPolarHBondContact CA-OG 3.46Å; M679-S690 VanDerWaalsContact CG-OG 3.3Å; M679-S690 WeakPolarHBondContact CG-OG 3.27Å; M679-F691 HydrophobicContact CB-CE1 3.79Å; M679-F691 HydrophobicContact CB-CZ 4.39Å; M679-F691 HydrophobicContact CE-CD1 4.04Å; M679-F691 HydrophobicContact CE-CE1 3.62Å; M679-F691 HydrophobicContact CG-CD1 3.95Å; M679-F691 HydrophobicContact CG-CE1 3.62Å; M679-F691 HydrophobicContact SD-CE1 4.41Å; M679-L694 HydrophobicContact CE-CD2 3.83Å; M679-L694 HydrophobicContact SD-CD2 4.23Å; M679-F712 HydrophobicContact CE-CB 3.91Å; M679-F712 HydrophobicContact CE-CD1 4.04Å; M679-F712 HydrophobicContact CE-CD2 4.49Å; M679-F712 HydrophobicContact CE-CG 3.91Å; M679-F712 HydrophobicContact SD-CD1 3.93Å; M679-F712 HydrophobicContact SD-CD2 4.37Å; M679-F712 HydrophobicContact SD-CE1 4.04Å; M679-F712 HydrophobicContact SD-CE2 4.46Å; M679-F712 HydrophobicContact SD-CG 4.11Å; M679-F712 HydrophobicContact SD-CZ 4.3Å; M679-I715 HydrophobicContact CB-CG2 3.91Å; M679-I715 HydrophobicContact CE-CB 4.18Å; M679-I715 HydrophobicContact CE-CG2 4.16Å; M679-I715 WeakPolarHBondContact O-CG2 3.38Å; M679-L716 HydrophobicContact CE-CG 4.31Å |
| 680 | Q | 97.6 | Very high | 97.4 | Very high | 102 Ų | 102 | 42.7 Ų | 42.7 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 5.7 | 178.3 | -67.1 | 175.8 | 91 | 0 | 0 | 112.6 | Y676 Q677 C678 I715 | Y676-Q680 PolarHBondContact O-NE2 3.44Å; Q677-Q680 CarbonylContact O-C 3.54Å; Q677-Q680 PolarHBondContact O-N 3.31Å; Q677-Q680 VanDerWaalsContact O-N 3.09Å; C678-Q680 PolarHBondContact O-N 3.05Å; C678-Q680 VanDerWaalsContact O-N 3.09Å; Q680-I715 HydrophobicContact CG-CD1 3.91Å; Q680-I715 HydrophobicContact CG-CG1 4.37Å; Q680-I715 HydrophobicContact CG-CG2 4.43Å |
| 681 | D | 97.9 | Very high | 97.5 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | trans | -63.1 | 151.6 | 178.8 | -162.3 | -69.1 | 0 | 0 | 0 | 110.5 | K641 Q677 C678 M683 V686 R687 | K641-D681 IonicContact NZ-OD1 3.32Å; K641-D681 PolarHBondContact NZ-OD1 3.48Å; K641-D681 IonicContact NZ-OD2 3.95Å; K641-D681 PolarHBondContact NZ-OD2 2.88Å; Q677-D681 PolarHBondContact O-N 2.93Å; C678-D681 VanDerWaalsContact O-CB 3.32Å; C678-D681 WeakPolarHBondContact O-CB 3.47Å; C678-D681 PolarHBondContact O-N 3.37Å; D681-M683 VanDerWaalsContact C-N 3.34Å; D681-M683 WeakPolarHBondContact OD1-CB 3.06Å; D681-M683 PolarHBondContact OD1-N 3.06Å; D681-V686 HydrophobicContact CB-CB 3.97Å; D681-V686 HydrophobicContact CB-CG1 3.65Å; D681-R687 VanDerWaalsContact O-CD 3.27Å; D681-R687 WeakPolarHBondContact O-CD 3.43Å; D681-R687 WeakPolarHBondContact O-CG 3.38Å; D681-R687 PolarHBondContact O-NH1 3.29Å | ||
| 682 | K | 95.3 | Very high | 97.5 | Very high | 179 Ų | 179 | 39.6 Ų | 39.6 | 78% | 0.778 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -71 | -30.9 | 178.1 | -63.3 | -178.4 | -178.8 | 178.8 | 0 | 112.3 | P684 R687 | K682-P684 WeakPolarHBondContact O-CD 3.48Å; K682-R687 PolarHBondContact O-NH1 3.48Å |
| 683 | M | 95.3 | Very high | 97.5 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 32% | 0.32 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -76 | 119.5 | -179.6 | -175.9 | 171.8 | -89.8 | 0 | 0 | 110.2 | K641 I645 D681 E685 V686 R687 | K641-M683 HydrophobicContact CB-CE 4.18Å; K641-M683 HydrophobicContact CB-SD 3.53Å; K641-M683 VanDerWaalsContact CB-SD 3.53Å; K641-M683 HydrophobicContact CD-CB 4.2Å; K641-M683 HydrophobicContact CD-CE 4.13Å; K641-M683 HydrophobicContact CD-SD 3.68Å; K641-M683 HydrophobicContact CG-SD 4.17Å; I645-M683 HydrophobicContact CD1-SD 4.05Å; D681-M683 VanDerWaalsContact C-N 3.34Å; D681-M683 WeakPolarHBondContact OD1-CB 3.06Å; D681-M683 PolarHBondContact OD1-N 3.06Å; M683-E685 VanDerWaalsContact C-N 3.34Å; M683-E685 HydrophobicContact CG-CB 4.29Å; M683-E685 WeakPolarHBondContact CG-OE2 3.26Å; M683-E685 PolarHBondContact O-N 3.36Å; M683-V686 HydrophobicContact CB-CB 4.4Å; M683-V686 HydrophobicContact CB-CG2 3.87Å; M683-V686 HydrophobicContact CG-CG2 3.97Å; M683-V686 PolarHBondContact O-N 2.89Å; M683-V686 HydrophobicContact SD-CG2 3.85Å; M683-R687 PolarHBondContact O-N 3.13Å; M683-R687 PolarHBondContact O-NH1 3.41Å |
| 684 | P | 95.9 | Very high | 97.6 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 24% | 0.24 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.5 | -46 | 179.7 | -28.8 | 36.1 | 0 | 0 | 0 | 114.6 | K682 V686 R687 Q688 L724 V727 | K682-P684 WeakPolarHBondContact O-CD 3.48Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 PolarHBondContact O-N 3.06Å; P684-R687 CarbonylContact O-C 3.16Å; P684-R687 WeakPolarHBondContact O-CA 3.27Å; P684-R687 WeakPolarHBondContact O-CB 3.47Å; P684-R687 PolarHBondContact O-N 2.91Å; P684-Q688 PolarHBondContact O-N 3.43Å; P684-L724 HydrophobicContact CB-CD1 4.37Å; P684-L724 HydrophobicContact CB-CD2 4.38Å; P684-L724 HydrophobicContact CG-CD1 4.25Å; P684-L724 HydrophobicContact CG-CD2 4.12Å; P684-V727 HydrophobicContact CB-CG2 3.75Å; P684-V727 VanDerWaalsContact O-CG2 3.31Å; P684-V727 WeakPolarHBondContact O-CG2 3.12Å |
| 685 | E | 94.9 | Very high | 97.5 | Very high | 81 Ų | 81 | 33.3 Ų | 33.3 | 38% | 0.379 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.5 | -42.1 | -175.6 | -62.3 | 82.6 | -177.3 | 0 | 0 | 111 | S342 I645 M683 R687 Q688 S689 | S342-E685 VanDerWaalsContact OG-C 3.31Å; S342-E685 WeakPolarHBondContact OG-CA 3.31Å; S342-E685 VanDerWaalsContact OG-CB 3.27Å; S342-E685 WeakPolarHBondContact OG-CB 3.48Å; S342-E685 PolarHBondContact OG-O 2.72Å; I645-E685 HydrophobicContact CD1-CB 3.6Å; I645-E685 HydrophobicContact CG1-CB 4.42Å; M683-E685 VanDerWaalsContact C-N 3.34Å; M683-E685 HydrophobicContact CG-CB 4.29Å; M683-E685 WeakPolarHBondContact CG-OE2 3.26Å; M683-E685 PolarHBondContact O-N 3.36Å; E685-R687 VanDerWaalsContact C-N 3.33Å; E685-R687 PolarHBondContact O-N 3.04Å; E685-Q688 WeakPolarHBondContact O-CB 3.31Å; E685-Q688 PolarHBondContact O-N 3.21Å; E685-S689 PolarHBondContact O-N 3.29Å; E685-S689 PolarHBondContact O-OG 3.32Å |
| 686 | V | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | K641 M644 I645 L648 C678 D681 M683 P684 S690 | K641-V686 HydrophobicContact CB-CG2 4.3Å; K641-V686 HydrophobicContact CD-CG2 4.14Å; M644-V686 HydrophobicContact CE-CB 4.11Å; M644-V686 HydrophobicContact CE-CG1 3.43Å; M644-V686 VanDerWaalsContact CE-CG1 3.43Å; M644-V686 HydrophobicContact CE-CG2 3.47Å; M644-V686 VanDerWaalsContact CE-CG2 3.47Å; M644-V686 HydrophobicContact SD-CG1 4.06Å; I645-V686 HydrophobicContact CD1-CG2 4.07Å; I645-V686 HydrophobicContact CG1-CG2 3.73Å; L648-V686 HydrophobicContact CD1-CG1 4.47Å; C678-V686 HydrophobicContact CB-CG1 3.97Å; D681-V686 HydrophobicContact CB-CB 3.97Å; D681-V686 HydrophobicContact CB-CG1 3.65Å; M683-V686 HydrophobicContact CB-CB 4.4Å; M683-V686 HydrophobicContact CB-CG2 3.87Å; M683-V686 HydrophobicContact CG-CG2 3.97Å; M683-V686 PolarHBondContact O-N 2.89Å; M683-V686 HydrophobicContact SD-CG2 3.85Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 PolarHBondContact O-N 3.06Å; V686-S690 WeakPolarHBondContact O-CB 3.44Å; V686-S690 PolarHBondContact O-N 3.44Å; V686-S690 VanDerWaalsContact O-N 3.09Å; V686-S690 PolarHBondContact O-OG 2.97Å |
| 687 | R | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 177.8 | -61.7 | -164.7 | -61.8 | -76.8 | -3.5 | 110.2 | M679 D681 K682 M683 P684 E685 S689 S690 F691 N719 V727 | M679-R687 WeakPolarHBondContact O-CD 3.47Å; D681-R687 VanDerWaalsContact O-CD 3.27Å; D681-R687 WeakPolarHBondContact O-CD 3.43Å; D681-R687 WeakPolarHBondContact O-CG 3.38Å; D681-R687 PolarHBondContact O-NH1 3.29Å; K682-R687 PolarHBondContact O-NH1 3.48Å; M683-R687 PolarHBondContact O-N 3.13Å; M683-R687 PolarHBondContact O-NH1 3.41Å; P684-R687 CarbonylContact O-C 3.16Å; P684-R687 WeakPolarHBondContact O-CA 3.27Å; P684-R687 WeakPolarHBondContact O-CB 3.47Å; P684-R687 PolarHBondContact O-N 2.91Å; E685-R687 VanDerWaalsContact C-N 3.33Å; E685-R687 PolarHBondContact O-N 3.04Å; R687-S689 PolarHBondContact O-N 2.91Å; R687-S690 PolarHBondContact O-N 3.24Å; R687-S690 PolarHBondContact O-OG 3.15Å; R687-F691 HydrophobicContact CB-CE2 3.88Å; R687-F691 HydrophobicContact CB-CZ 4.26Å; R687-F691 WeakPolarHBondContact O-CD2 3.32Å; R687-F691 VanDerWaalsContact O-CG 3.28Å; R687-F691 WeakPolarHBondContact O-CG 3.43Å; R687-F691 PolarHBondContact O-N 2.99Å; R687-N719 WeakPolarHBondContact CD-OD1 3.25Å; R687-N719 PolarHBondContact NE-OD1 3.32Å; R687-V727 HydrophobicContact CB-CG1 4.11Å |
| 688 | Q | 97.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.5 | -55.2 | 177.2 | 175.1 | -176.7 | -16 | 0 | 0 | 112.2 | S342 R343 T344 P684 E685 S690 F691 A692 S726 V727 N730 | S342-Q688 PolarHBondContact O-NE2 2.95Å; R343-Q688 VanDerWaalsContact C-NE2 3.26Å; R343-Q688 PolarHBondContact O-NE2 3.12Å; T344-Q688 PolarHBondContact OG1-NE2 3.26Å; T344-Q688 VanDerWaalsContact OG1-NE2 3.1Å; P684-Q688 PolarHBondContact O-N 3.43Å; E685-Q688 WeakPolarHBondContact O-CB 3.31Å; E685-Q688 PolarHBondContact O-N 3.21Å; Q688-S690 VanDerWaalsContact C-N 3.33Å; Q688-S690 PolarHBondContact O-N 3.4Å; Q688-F691 PolarHBondContact O-N 2.95Å; Q688-A692 PolarHBondContact O-N 2.96Å; Q688-A692 VanDerWaalsContact O-N 3.13Å; Q688-S726 VanDerWaalsContact OE1-CB 3.28Å; Q688-V727 HydrophobicContact CB-CG2 4.08Å; Q688-N730 WeakPolarHBondContact CG-ND2 3.14Å; Q688-N730 PolarHBondContact O-ND2 3.01Å |
| 689 | S | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 179.1 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | S342 I645 D649 E685 R687 F691 A692 L693 | S342-S689 PolarHBondContact OG-OG 3.33Å; S342-S689 VanDerWaalsContact OG-OG 3.1Å; I645-S689 VanDerWaalsContact CG2-OG 3.27Å; I645-S689 WeakPolarHBondContact CG2-OG 3.27Å; D649-S689 VanDerWaalsContact CG-OG 3.26Å; D649-S689 WeakPolarHBondContact OD1-CA 3.28Å; D649-S689 WeakPolarHBondContact OD1-CB 3.3Å; D649-S689 PolarHBondContact OD1-OG 3.37Å; D649-S689 PolarHBondContact OD2-OG 2.98Å; E685-S689 PolarHBondContact O-N 3.29Å; E685-S689 PolarHBondContact O-OG 3.32Å; R687-S689 PolarHBondContact O-N 2.91Å; S689-F691 VanDerWaalsContact C-N 3.33Å; S689-F691 PolarHBondContact O-N 3.41Å; S689-A692 PolarHBondContact O-N 3.48Å; S689-L693 PolarHBondContact O-N 3.15Å |
| 690 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -32.7 | 176 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | M679 V686 R687 Q688 L694 | M679-S690 WeakPolarHBondContact CA-OG 3.46Å; M679-S690 VanDerWaalsContact CG-OG 3.3Å; M679-S690 WeakPolarHBondContact CG-OG 3.27Å; V686-S690 WeakPolarHBondContact O-CB 3.44Å; V686-S690 PolarHBondContact O-N 3.44Å; V686-S690 VanDerWaalsContact O-N 3.09Å; V686-S690 PolarHBondContact O-OG 2.97Å; R687-S690 PolarHBondContact O-N 3.24Å; R687-S690 PolarHBondContact O-OG 3.15Å; Q688-S690 VanDerWaalsContact C-N 3.33Å; Q688-S690 PolarHBondContact O-N 3.4Å; S690-L694 WeakPolarHBondContact O-CB 3.37Å; S690-L694 PolarHBondContact O-N 3.45Å |
| 691 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.8 | -36.3 | 176.4 | -61.8 | -38.2 | 0 | 0 | 0 | 112.2 | M679 R687 Q688 S689 L694 G695 I715 L716 N719 V727 N730 A731 | M679-F691 HydrophobicContact CB-CE1 3.79Å; M679-F691 HydrophobicContact CB-CZ 4.39Å; M679-F691 HydrophobicContact CE-CD1 4.04Å; M679-F691 HydrophobicContact CE-CE1 3.62Å; M679-F691 HydrophobicContact CG-CD1 3.95Å; M679-F691 HydrophobicContact CG-CE1 3.62Å; M679-F691 HydrophobicContact SD-CE1 4.41Å; R687-F691 HydrophobicContact CB-CE2 3.88Å; R687-F691 HydrophobicContact CB-CZ 4.26Å; R687-F691 WeakPolarHBondContact O-CD2 3.32Å; R687-F691 VanDerWaalsContact O-CG 3.28Å; R687-F691 WeakPolarHBondContact O-CG 3.43Å; R687-F691 PolarHBondContact O-N 2.99Å; Q688-F691 PolarHBondContact O-N 2.95Å; S689-F691 VanDerWaalsContact C-N 3.33Å; S689-F691 PolarHBondContact O-N 3.41Å; F691-L694 PolarHBondContact O-N 2.99Å; F691-G695 PolarHBondContact O-N 3.18Å; F691-G695 VanDerWaalsContact O-N 3.08Å; F691-I715 HydrophobicContact CE1-CG2 4.38Å; F691-I715 HydrophobicContact CZ-CG2 4.38Å; F691-L716 HydrophobicContact CD1-CD2 3.51Å; F691-L716 HydrophobicContact CE1-CD2 3.76Å; F691-L716 HydrophobicContact CE1-CG 4.49Å; F691-L716 HydrophobicContact CG-CD2 4.07Å; F691-L716 HydrophobicContact CZ-CD2 4.49Å; F691-N719 HydrophobicContact CE2-CB 3.67Å; F691-N719 HydrophobicContact CZ-CB 3.83Å; F691-V727 HydrophobicContact CD2-CG1 4.05Å; F691-V727 HydrophobicContact CE2-CG1 3.63Å; F691-N730 HydrophobicContact CB-CB 3.89Å; F691-A731 HydrophobicContact CD2-CB 3.8Å; F691-A731 HydrophobicContact CE2-CB 4.07Å; F691-A731 HydrophobicContact CG-CB 4.24Å |
| 692 | A | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -52.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V345 S652 Q688 S689 L694 G695 D696 W733 | V345-A692 HydrophobicContact CG2-CB 4.25Å; S652-A692 VanDerWaalsContact OG-C 3.28Å; S652-A692 PolarHBondContact OG-O 3.43Å; Q688-A692 PolarHBondContact O-N 2.96Å; Q688-A692 VanDerWaalsContact O-N 3.13Å; S689-A692 PolarHBondContact O-N 3.48Å; A692-L694 VanDerWaalsContact C-N 3.29Å; A692-L694 PolarHBondContact O-N 2.89Å; A692-G695 PolarHBondContact O-N 2.89Å; A692-G695 VanDerWaalsContact O-N 3.1Å; A692-D696 PolarHBondContact O-N 3Å; A692-W733 WeakPolarHBondContact O-CZ3 3.41Å |
| 693 | L | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 177.3 | 178 | 60.4 | 0 | 0 | 0 | 112.4 | L648 L651 S652 I671 M675 S689 G695 D696 L697 | L648-L693 HydrophobicContact CD2-CD2 3.75Å; L651-L693 HydrophobicContact CB-CD1 3.79Å; L651-L693 HydrophobicContact CB-CD2 4.03Å; L651-L693 HydrophobicContact CD1-CD2 4.34Å; S652-L693 WeakPolarHBondContact OG-CA 3.42Å; S652-L693 PolarHBondContact OG-N 2.88Å; I671-L693 HydrophobicContact CD1-CD2 4.07Å; I671-L693 HydrophobicContact CG1-CD2 4.16Å; M675-L693 HydrophobicContact CG-CD2 4.2Å; M675-L693 HydrophobicContact SD-CD2 3.86Å; M675-L693 HydrophobicContact SD-CG 3.89Å; S689-L693 PolarHBondContact O-N 3.15Å; L693-G695 PolarHBondContact O-N 3.42Å; L693-D696 PolarHBondContact O-N 3.34Å; L693-L697 HydrophobicContact CD1-CD1 3.95Å; L693-L697 HydrophobicContact CD1-CD2 4.42Å; L693-L697 HydrophobicContact CD1-CG 3.83Å; L693-L697 HydrophobicContact CG-CD1 3.96Å; L693-L697 HydrophobicContact CG-CG 4.25Å; L693-L697 WeakPolarHBondContact O-CB 3.4Å; L693-L697 WeakPolarHBondContact O-CG 3.29Å; L693-L697 PolarHBondContact O-N 3.27Å |
| 694 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 177 | 174.8 | 60.6 | 0 | 0 | 0 | 111.9 | M675 M679 S690 F691 A692 T698 V705 F712 L716 I738 | M675-L694 HydrophobicContact CE-CB 4.43Å; M675-L694 HydrophobicContact CE-CD1 3.87Å; M679-L694 HydrophobicContact CE-CD2 3.83Å; M679-L694 HydrophobicContact SD-CD2 4.23Å; S690-L694 WeakPolarHBondContact O-CB 3.37Å; S690-L694 PolarHBondContact O-N 3.45Å; F691-L694 PolarHBondContact O-N 2.99Å; A692-L694 VanDerWaalsContact C-N 3.29Å; A692-L694 PolarHBondContact O-N 2.89Å; L694-T698 VanDerWaalsContact O-CB 3.26Å; L694-T698 WeakPolarHBondContact O-CB 3.34Å; L694-T698 PolarHBondContact O-N 3.27Å; L694-T698 PolarHBondContact O-OG1 2.69Å; L694-V705 HydrophobicContact CD1-CG1 3.68Å; L694-F712 HydrophobicContact CD1-CD2 3.65Å; L694-F712 HydrophobicContact CD1-CE2 3.82Å; L694-F712 HydrophobicContact CD2-CD2 4.08Å; L694-L716 HydrophobicContact CD2-CD1 3.98Å; L694-L716 HydrophobicContact CD2-CD2 4.34Å; L694-L716 HydrophobicContact CD2-CG 4.44Å; L694-I738 HydrophobicContact CD2-CD1 4.17Å; L694-I738 HydrophobicContact CG-CD1 4.37Å |
| 695 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F691 A692 L693 T698 K699 W733 | F691-G695 PolarHBondContact O-N 3.18Å; F691-G695 VanDerWaalsContact O-N 3.08Å; A692-G695 PolarHBondContact O-N 2.89Å; A692-G695 VanDerWaalsContact O-N 3.1Å; L693-G695 PolarHBondContact O-N 3.42Å; G695-T698 WeakPolarHBondContact O-CB 3.46Å; G695-T698 PolarHBondContact O-N 2.97Å; G695-K699 PolarHBondContact O-N 3.42Å; G695-W733 VanDerWaalsContact CA-CZ3 3.42Å |
| 696 | D | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.8 | -75.4 | -37.2 | 0 | 0 | 0 | 112.9 | R343 S652 A655 A692 L693 T698 K699 A700 W733 | R343-D696 IonicContact NH1-OD2 3.68Å; S652-D696 PolarHBondContact OG-OD2 2.93Å; A655-D696 HydrophobicContact CB-CB 3.8Å; A692-D696 PolarHBondContact O-N 3Å; L693-D696 PolarHBondContact O-N 3.34Å; D696-T698 PolarHBondContact O-N 3.46Å; D696-K699 PolarHBondContact O-N 3.42Å; D696-K699 WeakPolarHBondContact OD1-CE 2.96Å; D696-K699 IonicContact OD1-NZ 3.77Å; D696-K699 PolarHBondContact OD1-NZ 2.94Å; D696-A700 WeakPolarHBondContact O-CB 3.41Å; D696-A700 PolarHBondContact O-N 3.48Å; D696-W733 WeakPolarHBondContact OD1-CH2 3.41Å |
| 697 | L | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -30.5 | 173.3 | -70.7 | -179.9 | 0 | 0 | 0 | 112.5 | A655 V666 L672 M675 L693 A700 C701 V705 | A655-L697 HydrophobicContact CB-CD2 3.95Å; A655-L697 HydrophobicContact CB-CG 4.5Å; V666-L697 HydrophobicContact CG2-CD2 3.75Å; L672-L697 HydrophobicContact CD2-CD1 4.31Å; M675-L697 HydrophobicContact CE-CD1 4.35Å; M675-L697 HydrophobicContact SD-CD1 3.74Å; L693-L697 HydrophobicContact CD1-CD1 3.95Å; L693-L697 HydrophobicContact CD1-CD2 4.42Å; L693-L697 HydrophobicContact CD1-CG 3.83Å; L693-L697 HydrophobicContact CG-CD1 3.96Å; L693-L697 HydrophobicContact CG-CG 4.25Å; L693-L697 WeakPolarHBondContact O-CB 3.4Å; L693-L697 WeakPolarHBondContact O-CG 3.29Å; L693-L697 PolarHBondContact O-N 3.27Å; L697-A700 PolarHBondContact O-N 2.97Å; L697-C701 CarbonylContact O-C 3.6Å; L697-C701 PolarHBondContact O-N 3.41Å; L697-V705 HydrophobicContact CB-CG2 4.07Å |
| 698 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -43 | 173.9 | -66.4 | 0 | 0 | 0 | 0 | 111 | L694 G695 D696 F702 E737 I738 Q741 | L694-T698 VanDerWaalsContact O-CB 3.26Å; L694-T698 WeakPolarHBondContact O-CB 3.34Å; L694-T698 PolarHBondContact O-N 3.27Å; L694-T698 PolarHBondContact O-OG1 2.69Å; G695-T698 WeakPolarHBondContact O-CB 3.46Å; G695-T698 PolarHBondContact O-N 2.97Å; D696-T698 PolarHBondContact O-N 3.46Å; T698-F702 HydrophobicContact CG2-CD2 3.89Å; T698-F702 HydrophobicContact CG2-CE2 4.3Å; T698-F702 WeakPolarHBondContact O-CB 3.46Å; T698-E737 HydrophobicContact CG2-CB 4.15Å; T698-I738 HydrophobicContact CG2-CB 4.4Å; T698-I738 HydrophobicContact CG2-CG1 3.83Å; T698-Q741 HydrophobicContact CG2-CB 4.33Å; T698-Q741 HydrophobicContact CG2-CG 3.73Å |
| 699 | K | 96.3 | Very high | 98 | Very high | 80 Ų | 80 | 23.4 Ų | 23.4 | 35% | 0.348 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.8 | -44 | 172.7 | -71.5 | -179 | -67.8 | 174.9 | 0 | 112 | G695 D696 W733 E737 | G695-K699 PolarHBondContact O-N 3.42Å; D696-K699 PolarHBondContact O-N 3.42Å; D696-K699 WeakPolarHBondContact OD1-CE 2.96Å; D696-K699 IonicContact OD1-NZ 3.77Å; D696-K699 PolarHBondContact OD1-NZ 2.94Å; K699-W733 HydrophobicContact CD-CZ2 4.49Å; K699-E737 HydrophobicContact CD-CG 4.36Å; K699-E737 HydrophobicContact CG-CG 4.21Å; K699-E737 WeakPolarHBondContact CG-OE2 3.24Å |
| 700 | A | 97.1 | Very high | 98 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.2 | -47.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | G660 I662 D696 L697 | G660-A700 WeakPolarHBondContact CA-O 3.23Å; I662-A700 HydrophobicContact CG2-CB 3.93Å; D696-A700 WeakPolarHBondContact O-CB 3.41Å; D696-A700 PolarHBondContact O-N 3.48Å; L697-A700 PolarHBondContact O-N 2.97Å |
| 701 | C | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -150.4 | 57.7 | -170.6 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | E663 L697 Q703 H704 | E663-C701 HydrophobicContact CB-CB 4.11Å; E663-C701 HydrophobicContact CG-CB 4.12Å; L697-C701 CarbonylContact O-C 3.6Å; L697-C701 PolarHBondContact O-N 3.41Å; C701-Q703 PolarHBondContact O-N 3.03Å; C701-H704 PolarHBondContact O-N 3.21Å |
| 702 | F | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 30 Ų | 30 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52 | -27.9 | -177.1 | -172.8 | -120.8 | 0 | 0 | 0 | 115.2 | T698 H704 V705 K706 I709 Q741 M742 | T698-F702 HydrophobicContact CG2-CD2 3.89Å; T698-F702 HydrophobicContact CG2-CE2 4.3Å; T698-F702 WeakPolarHBondContact O-CB 3.46Å; F702-H704 PolarHBondContact O-N 3.42Å; F702-H704 VanDerWaalsContact O-N 3.09Å; F702-V705 HydrophobicContact CD2-CB 4.1Å; F702-V705 HydrophobicContact CE2-CB 4.5Å; F702-V705 PolarHBondContact O-N 2.99Å; F702-K706 HydrophobicContact CD1-CB 4.19Å; F702-K706 HydrophobicContact CE1-CB 3.78Å; F702-K706 HydrophobicContact CE1-CD 3.83Å; F702-K706 HydrophobicContact CE1-CG 3.94Å; F702-K706 HydrophobicContact CE2-CB 4.3Å; F702-K706 HydrophobicContact CZ-CB 3.82Å; F702-K706 HydrophobicContact CZ-CD 4.4Å; F702-K706 HydrophobicContact CZ-CG 4.03Å; F702-K706 WeakPolarHBondContact O-CB 3.49Å; F702-K706 PolarHBondContact O-N 3.22Å; F702-I709 HydrophobicContact CE2-CD1 4.26Å; F702-I709 HydrophobicContact CE2-CG1 4.23Å; F702-I709 HydrophobicContact CZ-CG1 4.41Å; F702-Q741 HydrophobicContact CB-CB 4.3Å; F702-Q741 HydrophobicContact CB-CG 4.21Å; F702-Q741 HydrophobicContact CD1-CB 3.6Å; F702-Q741 HydrophobicContact CD1-CG 4.43Å; F702-Q741 HydrophobicContact CD2-CB 3.73Å; F702-Q741 HydrophobicContact CD2-CG 4.14Å; F702-Q741 HydrophobicContact CE1-CB 3.72Å; F702-Q741 HydrophobicContact CE2-CB 3.88Å; F702-Q741 HydrophobicContact CG-CB 3.6Å; F702-Q741 HydrophobicContact CG-CG 4.01Å; F702-Q741 HydrophobicContact CZ-CB 3.87Å; F702-M742 HydrophobicContact CE1-SD 4.24Å; F702-M742 HydrophobicContact CZ-CG 3.77Å; F702-M742 HydrophobicContact CZ-SD 3.64Å |
| 703 | Q | 97.7 | Very high | 98 | Very high | 107 Ų | 107 | 30 Ų | 30 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.2 | -28.9 | 177.6 | 65.9 | -83.2 | 13.5 | 0 | 0 | 113.5 | C701 | C701-Q703 PolarHBondContact O-N 3.03Å |
| 704 | H | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 21% | 0.213 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -87.8 | -30.2 | 177.2 | -61.2 | -50.6 | 0 | 0 | 0 | 112.2 | E663 V666 L672 C701 F702 P707 | E663-H704 IonicContact OE1-CD2 2.88Å; E663-H704 IonicContact OE1-CE1 3.07Å; E663-H704 PolarHBondContact OE1-CE1 2.73Å; E663-H704 IonicContact OE1-NE2 3.44Å; E663-H704 PolarHBondContact OE1-NE2 3.39Å; V666-H704 HydrophobicContact CG1-CB 4.19Å; L672-H704 HydrophobicContact CD1-CB 4.04Å; L672-H704 WeakPolarHBondContact CD1-O 3.34Å; C701-H704 PolarHBondContact O-N 3.21Å; F702-H704 PolarHBondContact O-N 3.42Å; F702-H704 VanDerWaalsContact O-N 3.09Å; H704-P707 WeakPolarHBondContact O-CD 3.44Å |
| 705 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.7 | -37.5 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | L672 L694 L697 F702 P707 C708 I709 | L672-V705 HydrophobicContact CD2-CG2 4.29Å; L694-V705 HydrophobicContact CD1-CG1 3.68Å; L697-V705 HydrophobicContact CB-CG2 4.07Å; F702-V705 HydrophobicContact CD2-CB 4.1Å; F702-V705 HydrophobicContact CE2-CB 4.5Å; F702-V705 PolarHBondContact O-N 2.99Å; V705-P707 VanDerWaalsContact C-N 3.33Å; V705-P707 VanDerWaalsContact O-N 3.15Å; V705-C708 WeakPolarHBondContact O-CB 3.18Å; V705-C708 PolarHBondContact O-N 3.03Å; V705-I709 HydrophobicContact CG1-CD1 3.87Å |
| 706 | K | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -48 | -43.8 | -175.6 | -174.8 | 170.3 | -175.1 | 164.1 | 0 | 114.1 | F702 C708 I709 E745 | F702-K706 HydrophobicContact CD1-CB 4.19Å; F702-K706 HydrophobicContact CE1-CB 3.78Å; F702-K706 HydrophobicContact CE1-CD 3.83Å; F702-K706 HydrophobicContact CE1-CG 3.94Å; F702-K706 HydrophobicContact CE2-CB 4.3Å; F702-K706 HydrophobicContact CZ-CB 3.82Å; F702-K706 HydrophobicContact CZ-CD 4.4Å; F702-K706 HydrophobicContact CZ-CG 4.03Å; F702-K706 WeakPolarHBondContact O-CB 3.49Å; F702-K706 PolarHBondContact O-N 3.22Å; K706-C708 PolarHBondContact O-N 3.49Å; K706-I709 PolarHBondContact O-N 3.2Å; K706-E745 VanDerWaalsContact CE-OE2 3.27Å; K706-E745 WeakPolarHBondContact CE-OE2 3.49Å; K706-E745 IonicContact NZ-OE1 3.41Å; K706-E745 PolarHBondContact NZ-OE1 3.07Å; K706-E745 IonicContact NZ-OE2 3.9Å; K706-E745 PolarHBondContact NZ-OE2 3.27Å |
| 707 | P | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 66% | 0.656 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -60.6 | -24.2 | 177.2 | -24.3 | 35.8 | 0 | 0 | 0 | 115.1 | H704 V705 | H704-P707 WeakPolarHBondContact O-CD 3.44Å; V705-P707 VanDerWaalsContact C-N 3.33Å; V705-P707 VanDerWaalsContact O-N 3.15Å |
| 708 | C | 98.2 | Very high | 97.9 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -94.8 | -9.2 | -175.8 | -59 | 0 | 0 | 0 | 0 | 113.6 | V705 K706 G710 D711 F712 | V705-C708 WeakPolarHBondContact O-CB 3.18Å; V705-C708 PolarHBondContact O-N 3.03Å; K706-C708 PolarHBondContact O-N 3.49Å; C708-G710 PolarHBondContact O-N 3.09Å; C708-D711 PolarHBondContact O-N 2.74Å; C708-F712 HydrophobicContact CB-CD1 4.32Å; C708-F712 HydrophobicContact CB-CD2 3.83Å; C708-F712 HydrophobicContact CB-CE1 4.03Å; C708-F712 HydrophobicContact CB-CE2 3.52Å; C708-F712 HydrophobicContact CB-CG 4.23Å; C708-F712 HydrophobicContact CB-CZ 3.64Å; C708-F712 WeakPolarHBondContact O-CG 3.39Å; C708-F712 PolarHBondContact O-N 2.95Å |
| 709 | I | 97.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -34.7 | -173.8 | -66.8 | -57.8 | 0 | 0 | 0 | 112.8 | F702 V705 K706 D711 F712 M713 I738 M742 Y749 | F702-I709 HydrophobicContact CE2-CD1 4.26Å; F702-I709 HydrophobicContact CE2-CG1 4.23Å; F702-I709 HydrophobicContact CZ-CG1 4.41Å; V705-I709 HydrophobicContact CG1-CD1 3.87Å; K706-I709 PolarHBondContact O-N 3.2Å; I709-D711 PolarHBondContact O-N 2.65Å; I709-F712 PolarHBondContact O-N 3.09Å; I709-M713 HydrophobicContact CG2-CG 3.71Å; I709-M713 WeakPolarHBondContact O-CB 3.48Å; I709-M713 WeakPolarHBondContact O-CG 3.35Å; I709-M713 PolarHBondContact O-N 3.44Å; I709-I738 HydrophobicContact CD1-CD1 3.93Å; I709-I738 HydrophobicContact CD1-CG1 4.04Å; I709-I738 HydrophobicContact CD1-CG2 3.74Å; I709-I738 HydrophobicContact CG1-CG2 4.48Å; I709-I738 HydrophobicContact CG2-CG2 4.43Å; I709-M742 HydrophobicContact CG2-CE 4.16Å; I709-M742 HydrophobicContact CG2-SD 4.37Å; I709-Y749 HydrophobicContact CG2-CE2 4.08Å |
| 710 | G | 97.4 | Very high | 98 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.1 | -31.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C708 P714 | C708-G710 PolarHBondContact O-N 3.09Å; G710-P714 WeakPolarHBondContact O-CD 3.16Å |
| 711 | D | 97.8 | Very high | 97.9 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -91 | -34.8 | 178.4 | -60 | -42.2 | 0 | 0 | 0 | 111.8 | Y676 C708 I709 P714 | Y676-D711 HydrophobicContact CE2-CB 4.13Å; C708-D711 PolarHBondContact O-N 2.74Å; I709-D711 PolarHBondContact O-N 2.65Å; D711-P714 WeakPolarHBondContact O-CD 3.2Å |
| 712 | F | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.4 | -37.8 | -175.5 | -70.2 | -4.1 | 0 | 0 | 0 | 113.8 | M675 Y676 M679 L694 C708 I709 I715 L716 | M675-F712 HydrophobicContact CE-CE2 3.75Å; M675-F712 HydrophobicContact CE-CZ 4.06Å; Y676-F712 HydrophobicContact CD2-CD1 4.24Å; Y676-F712 AromaticContact CD2-CE1 3.94Å; Y676-F712 HydrophobicContact CD2-CE1 3.94Å; Y676-F712 HydrophobicContact CG-CE1 4.49Å; M679-F712 HydrophobicContact CE-CB 3.91Å; M679-F712 HydrophobicContact CE-CD1 4.04Å; M679-F712 HydrophobicContact CE-CD2 4.49Å; M679-F712 HydrophobicContact CE-CG 3.91Å; M679-F712 HydrophobicContact SD-CD1 3.93Å; M679-F712 HydrophobicContact SD-CD2 4.37Å; M679-F712 HydrophobicContact SD-CE1 4.04Å; M679-F712 HydrophobicContact SD-CE2 4.46Å; M679-F712 HydrophobicContact SD-CG 4.11Å; M679-F712 HydrophobicContact SD-CZ 4.3Å; L694-F712 HydrophobicContact CD1-CD2 3.65Å; L694-F712 HydrophobicContact CD1-CE2 3.82Å; L694-F712 HydrophobicContact CD2-CD2 4.08Å; C708-F712 HydrophobicContact CB-CD1 4.32Å; C708-F712 HydrophobicContact CB-CD2 3.83Å; C708-F712 HydrophobicContact CB-CE1 4.03Å; C708-F712 HydrophobicContact CB-CE2 3.52Å; C708-F712 HydrophobicContact CB-CG 4.23Å; C708-F712 HydrophobicContact CB-CZ 3.64Å; C708-F712 WeakPolarHBondContact O-CG 3.39Å; C708-F712 PolarHBondContact O-N 2.95Å; I709-F712 PolarHBondContact O-N 3.09Å; F712-I715 PolarHBondContact O-N 2.9Å; F712-I715 VanDerWaalsContact O-N 3.09Å; F712-L716 PolarHBondContact O-N 3.21Å |
| 713 | M | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | -178.5 | -78.3 | -57.7 | -52.6 | 0 | 0 | 114.1 | I709 I715 L716 G717 I735 I738 M746 Y749 V753 | I709-M713 HydrophobicContact CG2-CG 3.71Å; I709-M713 WeakPolarHBondContact O-CB 3.48Å; I709-M713 WeakPolarHBondContact O-CG 3.35Å; I709-M713 PolarHBondContact O-N 3.44Å; M713-I715 VanDerWaalsContact C-N 3.33Å; M713-I715 PolarHBondContact O-N 3.45Å; M713-L716 PolarHBondContact O-N 3.27Å; M713-L716 HydrophobicContact SD-CD1 4.02Å; M713-G717 PolarHBondContact O-N 3.1Å; M713-I735 HydrophobicContact CE-CG1 4.25Å; M713-I735 HydrophobicContact CE-CG2 4.27Å; M713-I738 HydrophobicContact SD-CD1 4.44Å; M713-I738 HydrophobicContact SD-CG2 4.32Å; M713-M746 HydrophobicContact CE-CE 3.4Å; M713-M746 HydrophobicContact SD-CE 3.82Å; M713-Y749 HydrophobicContact CB-CD1 3.55Å; M713-Y749 HydrophobicContact CB-CE1 3.98Å; M713-Y749 HydrophobicContact CB-CG 4.05Å; M713-Y749 HydrophobicContact CG-CD1 3.85Å; M713-Y749 HydrophobicContact CG-CD2 4.34Å; M713-Y749 HydrophobicContact CG-CE1 4.25Å; M713-Y749 HydrophobicContact CG-CG 3.9Å; M713-V753 HydrophobicContact CE-CG1 3.87Å |
| 714 | P | 98.3 | Very high | 97 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -43 | 170.6 | -24.4 | 31.9 | 0 | 0 | 0 | 114 | G710 D711 G717 T718 M752 | G710-P714 WeakPolarHBondContact O-CD 3.16Å; D711-P714 WeakPolarHBondContact O-CD 3.2Å; P714-G717 PolarHBondContact O-N 3.23Å; P714-T718 PolarHBondContact O-N 2.77Å; P714-T718 PolarHBondContact O-OG1 3.01Å; P714-M752 VanDerWaalsContact CA-CE 3.47Å; P714-M752 HydrophobicContact CB-CE 3.94Å; P714-M752 HydrophobicContact CG-CE 3.98Å |
| 715 | I | 98.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -45.1 | -178.8 | -59.7 | 167.1 | 0 | 0 | 0 | 110.5 | Y676 M679 Q680 F691 F712 M713 G717 T718 N719 | Y676-I715 HydrophobicContact CD2-CD1 3.98Å; Y676-I715 HydrophobicContact CE2-CD1 3.79Å; M679-I715 HydrophobicContact CB-CG2 3.91Å; M679-I715 HydrophobicContact CE-CB 4.18Å; M679-I715 HydrophobicContact CE-CG2 4.16Å; M679-I715 WeakPolarHBondContact O-CG2 3.38Å; Q680-I715 HydrophobicContact CG-CD1 3.91Å; Q680-I715 HydrophobicContact CG-CG1 4.37Å; Q680-I715 HydrophobicContact CG-CG2 4.43Å; F691-I715 HydrophobicContact CE1-CG2 4.38Å; F691-I715 HydrophobicContact CZ-CG2 4.38Å; F712-I715 PolarHBondContact O-N 2.9Å; F712-I715 VanDerWaalsContact O-N 3.09Å; M713-I715 VanDerWaalsContact C-N 3.33Å; M713-I715 PolarHBondContact O-N 3.45Å; I715-G717 VanDerWaalsContact C-N 3.33Å; I715-G717 PolarHBondContact O-N 3.06Å; I715-T718 PolarHBondContact O-N 3.37Å; I715-T718 PolarHBondContact O-OG1 3.44Å; I715-N719 PolarHBondContact O-N 3.44Å; I715-N719 PolarHBondContact O-ND2 2.82Å |
| 716 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.1 | -72 | 166.3 | 0 | 0 | 0 | 111.1 | M679 F691 L694 F712 M713 T718 N719 L720 A731 A734 I735 I738 | M679-L716 HydrophobicContact CE-CG 4.31Å; F691-L716 HydrophobicContact CD1-CD2 3.51Å; F691-L716 HydrophobicContact CE1-CD2 3.76Å; F691-L716 HydrophobicContact CE1-CG 4.49Å; F691-L716 HydrophobicContact CG-CD2 4.07Å; F691-L716 HydrophobicContact CZ-CD2 4.49Å; L694-L716 HydrophobicContact CD2-CD1 3.98Å; L694-L716 HydrophobicContact CD2-CD2 4.34Å; L694-L716 HydrophobicContact CD2-CG 4.44Å; F712-L716 PolarHBondContact O-N 3.21Å; M713-L716 PolarHBondContact O-N 3.27Å; M713-L716 HydrophobicContact SD-CD1 4.02Å; L716-T718 VanDerWaalsContact C-N 3.28Å; L716-T718 PolarHBondContact O-N 2.83Å; L716-N719 CarbonylContact O-C 3.37Å; L716-N719 PolarHBondContact O-N 3.13Å; L716-L720 PolarHBondContact O-N 2.8Å; L716-A731 HydrophobicContact CD2-CB 3.92Å; L716-A734 HydrophobicContact CD2-CB 4.24Å; L716-I735 HydrophobicContact CB-CD1 4.02Å; L716-I735 HydrophobicContact CB-CG1 3.9Å; L716-I735 HydrophobicContact CD1-CG1 3.94Å; L716-I735 HydrophobicContact CG-CG1 4.36Å; L716-I738 HydrophobicContact CD1-CD1 3.75Å |
| 717 | G | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -32.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | M713 P714 I715 N719 Q756 | M713-G717 PolarHBondContact O-N 3.1Å; P714-G717 PolarHBondContact O-N 3.23Å; I715-G717 VanDerWaalsContact C-N 3.33Å; I715-G717 PolarHBondContact O-N 3.06Å; G717-N719 VanDerWaalsContact C-N 3.34Å; G717-Q756 PolarHBondContact O-NE2 3.4Å; G717-Q756 PolarHBondContact O-OE1 3.15Å |
| 718 | T | 97.4 | Very high | 96.4 | Very high | 105 Ų | 105 | 37.1 Ų | 37.1 | 64% | 0.644 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -77 | -18.5 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | P714 I715 L716 | P714-T718 PolarHBondContact O-N 2.77Å; P714-T718 PolarHBondContact O-OG1 3.01Å; I715-T718 PolarHBondContact O-N 3.37Å; I715-T718 PolarHBondContact O-OG1 3.44Å; L716-T718 VanDerWaalsContact C-N 3.28Å; L716-T718 PolarHBondContact O-N 2.83Å |
| 719 | N | 98 | Very high | 96.4 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 6.8 | 179.3 | -78.1 | -87.5 | 0 | 0 | 0 | 113.1 | R687 F691 I715 L716 G717 N721 V727 C728 A731 | R687-N719 WeakPolarHBondContact CD-OD1 3.25Å; R687-N719 PolarHBondContact NE-OD1 3.32Å; F691-N719 HydrophobicContact CE2-CB 3.67Å; F691-N719 HydrophobicContact CZ-CB 3.83Å; I715-N719 PolarHBondContact O-N 3.44Å; I715-N719 PolarHBondContact O-ND2 2.82Å; L716-N719 CarbonylContact O-C 3.37Å; L716-N719 PolarHBondContact O-N 3.13Å; G717-N719 VanDerWaalsContact C-N 3.34Å; N719-N721 PolarHBondContact O-N 2.87Å; N719-V727 HydrophobicContact CB-CG1 4.2Å; N719-C728 WeakPolarHBondContact O-CA 3.35Å; N719-A731 HydrophobicContact CB-CB 4.26Å |
| 720 | L | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -75.7 | 48.8 | 165.3 | -64.2 | 179.4 | 0 | 0 | 0 | 111.2 | L716 T732 I735 V753 Q756 L757 I760 | L716-L720 PolarHBondContact O-N 2.8Å; L720-T732 WeakPolarHBondContact CD2-OG1 3.37Å; L720-I735 HydrophobicContact CD1-CD1 4.02Å; L720-I735 HydrophobicContact CD2-CD1 3.97Å; L720-I735 HydrophobicContact CG-CD1 4.21Å; L720-V753 HydrophobicContact CD1-CB 3.92Å; L720-V753 HydrophobicContact CD1-CG1 4.13Å; L720-Q756 HydrophobicContact CB-CB 4.06Å; L720-Q756 HydrophobicContact CD1-CB 3.99Å; L720-Q756 PolarHBondContact O-OE1 3.16Å; L720-L757 HydrophobicContact CD1-CD2 4.19Å; L720-L757 HydrophobicContact CD1-CG 4.16Å; L720-L757 HydrophobicContact CD2-CD2 4.07Å; L720-I760 HydrophobicContact CB-CD1 4.19Å | ||
| 721 | N | 94.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | trans | -103.9 | 109.6 | 177 | -179.9 | 7.3 | 0 | 0 | 0 | 109.7 | N719 E723 L724 C728 | N719-N721 PolarHBondContact O-N 2.87Å; N721-E723 PolarHBondContact ND2-OE2 3.42Å; N721-E723 VanDerWaalsContact ND2-OE2 3.14Å; N721-E723 PolarHBondContact O-N 3.38Å; N721-E723 VanDerWaalsContact O-N 3.12Å; N721-E723 WeakPolarHBondContact OD1-CB 3.42Å; N721-E723 WeakPolarHBondContact OD1-CG 3.42Å; N721-E723 PolarHBondContact OD1-N 3.13Å; N721-E723 VanDerWaalsContact OD1-N 3.11Å; N721-L724 PolarHBondContact O-N 3.04Å; N721-C728 WeakPolarHBondContact O-CB 3.23Å | ||
| 722 | P | 91.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 29.3 Ų | 29.3 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 5.5 | -175.9 | 36.3 | -39.5 | 0 | 0 | 0 | 113.9 | L724 I760 R763 | P722-L724 VanDerWaalsContact C-N 3.3Å; P722-I760 HydrophobicContact CB-CG1 4.34Å; P722-I760 HydrophobicContact CG-CG1 4.36Å; P722-R763 PolarHBondContact O-NH1 3.38Å |
| 723 | E | 91.8 | Very high | 96.5 | Very high | 153 Ų | 153 | 29.4 Ų | 29.4 | 72% | 0.715 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -27 | 162.5 | -65.2 | 176.1 | 161.9 | 0 | 0 | 112.1 | N721 | N721-E723 PolarHBondContact ND2-OE2 3.42Å; N721-E723 VanDerWaalsContact ND2-OE2 3.14Å; N721-E723 PolarHBondContact O-N 3.38Å; N721-E723 VanDerWaalsContact O-N 3.12Å; N721-E723 WeakPolarHBondContact OD1-CB 3.42Å; N721-E723 WeakPolarHBondContact OD1-CG 3.42Å; N721-E723 PolarHBondContact OD1-N 3.13Å; N721-E723 VanDerWaalsContact OD1-N 3.11Å |
| 724 | L | 93.1 | Very high | 96.5 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -112.2 | 78.5 | 175.4 | -61.5 | 177.8 | 0 | 0 | 0 | 108.5 | P684 N721 P722 S726 V727 C728 | P684-L724 HydrophobicContact CB-CD1 4.37Å; P684-L724 HydrophobicContact CB-CD2 4.38Å; P684-L724 HydrophobicContact CG-CD1 4.25Å; P684-L724 HydrophobicContact CG-CD2 4.12Å; N721-L724 PolarHBondContact O-N 3.04Å; P722-L724 VanDerWaalsContact C-N 3.3Å; L724-S726 PolarHBondContact O-N 3.33Å; L724-V727 HydrophobicContact CB-CB 4.01Å; L724-V727 HydrophobicContact CB-CG2 4.06Å; L724-V727 PolarHBondContact O-N 3.21Å; L724-C728 VanDerWaalsContact O-CB 3.3Å; L724-C728 WeakPolarHBondContact O-CB 3.45Å; L724-C728 PolarHBondContact O-N 3.44Å |
| 725 | I | 92.5 | Very high | 96.5 | Very high | 69 Ų | 69 | 27 Ų | 27 | 35% | 0.354 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -52.1 | -55.3 | -167.9 | -68 | 159.7 | 0 | 0 | 0 | 111.8 | V727 C728 N729 P767 L770 | I725-V727 PolarHBondContact O-N 3.09Å; I725-C728 WeakPolarHBondContact O-CB 3.41Å; I725-C728 PolarHBondContact O-N 3.04Å; I725-N729 VanDerWaalsContact O-CB 3.29Å; I725-N729 WeakPolarHBondContact O-CB 3.25Å; I725-N729 PolarHBondContact O-N 2.91Å; I725-P767 HydrophobicContact CD1-CG 3.9Å; I725-P767 HydrophobicContact CG1-CG 4.46Å; I725-P767 HydrophobicContact CG2-CB 4.41Å; I725-P767 HydrophobicContact CG2-CG 3.9Å; I725-L770 HydrophobicContact CG2-CD2 4.31Å |
| 726 | S | 92.5 | Very high | 96.5 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 29% | 0.287 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.8 | -35.5 | -174.5 | -44.5 | 0 | 0 | 0 | 0 | 112.9 | Q688 L724 N729 N730 | Q688-S726 VanDerWaalsContact OE1-CB 3.28Å; L724-S726 PolarHBondContact O-N 3.33Å; S726-N729 PolarHBondContact O-N 3.11Å; S726-N730 PolarHBondContact O-N 3.41Å; S726-N730 VanDerWaalsContact O-N 3.09Å |
| 727 | V | 96.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 172.2 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | P684 R687 Q688 F691 N719 L724 I725 N729 N730 A731 | P684-V727 HydrophobicContact CB-CG2 3.75Å; P684-V727 VanDerWaalsContact O-CG2 3.31Å; P684-V727 WeakPolarHBondContact O-CG2 3.12Å; R687-V727 HydrophobicContact CB-CG1 4.11Å; Q688-V727 HydrophobicContact CB-CG2 4.08Å; F691-V727 HydrophobicContact CD2-CG1 4.05Å; F691-V727 HydrophobicContact CE2-CG1 3.63Å; N719-V727 HydrophobicContact CB-CG1 4.2Å; L724-V727 HydrophobicContact CB-CB 4.01Å; L724-V727 HydrophobicContact CB-CG2 4.06Å; L724-V727 PolarHBondContact O-N 3.21Å; I725-V727 PolarHBondContact O-N 3.09Å; V727-N729 VanDerWaalsContact C-N 3.28Å; V727-N729 PolarHBondContact O-N 3.21Å; V727-N730 PolarHBondContact O-N 3.23Å; V727-A731 VanDerWaalsContact O-CB 3.3Å; V727-A731 WeakPolarHBondContact O-CB 3.13Å; V727-A731 PolarHBondContact O-N 2.94Å |
| 728 | C | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 179.2 | -174 | 0 | 0 | 0 | 0 | 111.2 | N719 N721 L724 I725 T732 L770 | N719-C728 WeakPolarHBondContact O-CA 3.35Å; N721-C728 WeakPolarHBondContact O-CB 3.23Å; L724-C728 VanDerWaalsContact O-CB 3.3Å; L724-C728 WeakPolarHBondContact O-CB 3.45Å; L724-C728 PolarHBondContact O-N 3.44Å; I725-C728 WeakPolarHBondContact O-CB 3.41Å; I725-C728 PolarHBondContact O-N 3.04Å; C728-T732 WeakPolarHBondContact O-CB 3.42Å; C728-T732 PolarHBondContact O-N 3.05Å; C728-T732 PolarHBondContact O-OG1 3.46Å; C728-L770 HydrophobicContact CB-CD1 4.42Å |
| 729 | N | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -56 | 177.1 | -178.9 | 72.6 | 0 | 0 | 0 | 111.7 | V345 I725 S726 V727 A731 T732 W733 T769 L770 N773 | V345-N729 PolarHBondContact O-ND2 2.94Å; I725-N729 VanDerWaalsContact O-CB 3.29Å; I725-N729 WeakPolarHBondContact O-CB 3.25Å; I725-N729 PolarHBondContact O-N 2.91Å; S726-N729 PolarHBondContact O-N 3.11Å; V727-N729 VanDerWaalsContact C-N 3.28Å; V727-N729 PolarHBondContact O-N 3.21Å; N729-A731 VanDerWaalsContact C-N 3.34Å; N729-A731 PolarHBondContact O-N 2.69Å; N729-T732 WeakPolarHBondContact O-CB 3.29Å; N729-T732 PolarHBondContact O-N 3.18Å; N729-W733 PolarHBondContact O-N 3.49Å; N729-T769 PolarHBondContact OD1-O 3.18Å; N729-L770 HydrophobicContact CB-CD1 4.05Å; N729-L770 WeakPolarHBondContact OD1-CA 3.32Å; N729-N773 PolarHBondContact ND2-ND2 3.03Å; N729-N773 PolarHBondContact OD1-ND2 3.18Å |
| 730 | N | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | -178.3 | -69.8 | 7.2 | 0 | 0 | 0 | 111.8 | R343 V345 Q688 F691 S726 V727 W733 A734 | R343-N730 PolarHBondContact O-ND2 2.87Å; V345-N730 PolarHBondContact N-OD1 3.24Å; Q688-N730 WeakPolarHBondContact CG-ND2 3.14Å; Q688-N730 PolarHBondContact O-ND2 3.01Å; F691-N730 HydrophobicContact CB-CB 3.89Å; S726-N730 PolarHBondContact O-N 3.41Å; S726-N730 VanDerWaalsContact O-N 3.09Å; V727-N730 PolarHBondContact O-N 3.23Å; N730-W733 PolarHBondContact O-N 2.9Å; N730-A734 VanDerWaalsContact O-CB 3.31Å; N730-A734 WeakPolarHBondContact O-CB 3.12Å; N730-A734 PolarHBondContact O-N 3.25Å |
| 731 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | F691 L716 N719 V727 N729 A734 I735 | F691-A731 HydrophobicContact CD2-CB 3.8Å; F691-A731 HydrophobicContact CE2-CB 4.07Å; F691-A731 HydrophobicContact CG-CB 4.24Å; L716-A731 HydrophobicContact CD2-CB 3.92Å; N719-A731 HydrophobicContact CB-CB 4.26Å; V727-A731 VanDerWaalsContact O-CB 3.3Å; V727-A731 WeakPolarHBondContact O-CB 3.13Å; V727-A731 PolarHBondContact O-N 2.94Å; N729-A731 VanDerWaalsContact C-N 3.34Å; N729-A731 PolarHBondContact O-N 2.69Å; A731-A734 PolarHBondContact O-N 3.28Å; A731-I735 WeakPolarHBondContact O-CD1 3.18Å; A731-I735 VanDerWaalsContact O-CG1 3.26Å; A731-I735 WeakPolarHBondContact O-CG1 3.47Å; A731-I735 PolarHBondContact O-N 3.13Å |
| 732 | T | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 177.6 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L720 C728 N729 I735 G736 L757 N773 T777 | L720-T732 WeakPolarHBondContact CD2-OG1 3.37Å; C728-T732 WeakPolarHBondContact O-CB 3.42Å; C728-T732 PolarHBondContact O-N 3.05Å; C728-T732 PolarHBondContact O-OG1 3.46Å; N729-T732 WeakPolarHBondContact O-CB 3.29Å; N729-T732 PolarHBondContact O-N 3.18Å; T732-I735 PolarHBondContact O-N 3.04Å; T732-G736 PolarHBondContact O-N 2.98Å; T732-L757 HydrophobicContact CG2-CD2 3.63Å; T732-N773 HydrophobicContact CG2-CB 4.46Å; T732-T777 HydrophobicContact CG2-CG2 4.35Å; T732-T777 WeakPolarHBondContact O-CG2 3.47Å; T732-T777 PolarHBondContact O-OG1 2.98Å |
| 733 | W | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.5 | 174.7 | 84.6 | 0 | 0 | 0 | 111.9 | V345 A692 G695 D696 K699 N729 N730 I735 G736 E737 | V345-W733 HydrophobicContact CB-CD2 4.38Å; V345-W733 HydrophobicContact CB-CG 4.41Å; V345-W733 HydrophobicContact CG1-CD2 3.82Å; V345-W733 HydrophobicContact CG1-CE3 4.39Å; V345-W733 HydrophobicContact CG1-CG 3.86Å; V345-W733 HydrophobicContact CG1-CZ2 4.42Å; V345-W733 HydrophobicContact CG2-CD2 4.28Å; V345-W733 HydrophobicContact CG2-CE3 4.01Å; V345-W733 HydrophobicContact CG2-CZ3 4.23Å; A692-W733 WeakPolarHBondContact O-CZ3 3.41Å; G695-W733 VanDerWaalsContact CA-CZ3 3.42Å; D696-W733 WeakPolarHBondContact OD1-CH2 3.41Å; K699-W733 HydrophobicContact CD-CZ2 4.49Å; N729-W733 PolarHBondContact O-N 3.49Å; N730-W733 PolarHBondContact O-N 2.9Å; W733-I735 VanDerWaalsContact C-N 3.34Å; W733-I735 PolarHBondContact O-N 3.08Å; W733-G736 WeakPolarHBondContact O-CA 3.5Å; W733-G736 PolarHBondContact O-N 3.31Å; W733-E737 HydrophobicContact CD2-CG 4.29Å; W733-E737 HydrophobicContact CH2-CG 4.37Å; W733-E737 HydrophobicContact CZ2-CG 3.86Å; W733-E737 PolarHBondContact O-N 3.3Å |
| 734 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L716 N730 A731 G736 E737 I738 | L716-A734 HydrophobicContact CD2-CB 4.24Å; N730-A734 VanDerWaalsContact O-CB 3.31Å; N730-A734 WeakPolarHBondContact O-CB 3.12Å; N730-A734 PolarHBondContact O-N 3.25Å; A731-A734 PolarHBondContact O-N 3.28Å; A734-G736 VanDerWaalsContact C-N 3.27Å; A734-G736 PolarHBondContact O-N 3.36Å; A734-E737 PolarHBondContact O-N 3.33Å; A734-I738 WeakPolarHBondContact O-CB 3.46Å; A734-I738 WeakPolarHBondContact O-CD1 3.32Å; A734-I738 VanDerWaalsContact O-CG1 3.24Å; A734-I738 WeakPolarHBondContact O-CG1 3.44Å; A734-I738 PolarHBondContact O-N 2.97Å |
| 735 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 173.1 | -67.5 | 160.9 | 0 | 0 | 0 | 110.6 | M713 L716 L720 A731 T732 W733 I738 S739 M746 V753 T777 | M713-I735 HydrophobicContact CE-CG1 4.25Å; M713-I735 HydrophobicContact CE-CG2 4.27Å; L716-I735 HydrophobicContact CB-CD1 4.02Å; L716-I735 HydrophobicContact CB-CG1 3.9Å; L716-I735 HydrophobicContact CD1-CG1 3.94Å; L716-I735 HydrophobicContact CG-CG1 4.36Å; L720-I735 HydrophobicContact CD1-CD1 4.02Å; L720-I735 HydrophobicContact CD2-CD1 3.97Å; L720-I735 HydrophobicContact CG-CD1 4.21Å; A731-I735 WeakPolarHBondContact O-CD1 3.18Å; A731-I735 VanDerWaalsContact O-CG1 3.26Å; A731-I735 WeakPolarHBondContact O-CG1 3.47Å; A731-I735 PolarHBondContact O-N 3.13Å; T732-I735 PolarHBondContact O-N 3.04Å; W733-I735 VanDerWaalsContact C-N 3.34Å; W733-I735 PolarHBondContact O-N 3.08Å; I735-I738 PolarHBondContact O-N 2.72Å; I735-S739 WeakPolarHBondContact O-CB 3.28Å; I735-S739 PolarHBondContact O-N 2.85Å; I735-S739 PolarHBondContact O-OG 3.2Å; I735-M746 HydrophobicContact CG2-CE 4.07Å; I735-V753 HydrophobicContact CD1-CB 4.4Å; I735-V753 HydrophobicContact CD1-CG1 3.93Å; I735-V753 HydrophobicContact CG2-CG2 4.36Å; I735-T777 HydrophobicContact CB-CG2 4.15Å; I735-T777 HydrophobicContact CG2-CG2 3.89Å |
| 736 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T732 W733 A734 S739 I740 T777 R780 | T732-G736 PolarHBondContact O-N 2.98Å; W733-G736 WeakPolarHBondContact O-CA 3.5Å; W733-G736 PolarHBondContact O-N 3.31Å; A734-G736 VanDerWaalsContact C-N 3.27Å; A734-G736 PolarHBondContact O-N 3.36Å; G736-S739 WeakPolarHBondContact O-CB 3.38Å; G736-S739 PolarHBondContact O-N 2.96Å; G736-I740 PolarHBondContact O-N 3.01Å; G736-T777 WeakPolarHBondContact CA-OG1 3.43Å; G736-R780 WeakPolarHBondContact O-CD 3.21Å |
| 737 | E | 98.1 | Very high | 98 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 5% | 0.051 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.6 | -68.7 | -58.2 | 150.5 | 0 | 0 | 112.2 | T698 K699 W733 A734 S739 I740 Q741 R780 | T698-E737 HydrophobicContact CG2-CB 4.15Å; K699-E737 HydrophobicContact CD-CG 4.36Å; K699-E737 HydrophobicContact CG-CG 4.21Å; K699-E737 WeakPolarHBondContact CG-OE2 3.24Å; W733-E737 HydrophobicContact CD2-CG 4.29Å; W733-E737 HydrophobicContact CH2-CG 4.37Å; W733-E737 HydrophobicContact CZ2-CG 3.86Å; W733-E737 PolarHBondContact O-N 3.3Å; A734-E737 PolarHBondContact O-N 3.33Å; E737-S739 VanDerWaalsContact C-N 3.26Å; E737-S739 PolarHBondContact O-N 3.22Å; E737-I740 PolarHBondContact O-N 3.33Å; E737-Q741 PolarHBondContact O-N 2.92Å; E737-R780 IonicContact OE1-CZ 3.36Å; E737-R780 IonicContact OE1-NH1 2.65Å; E737-R780 PolarHBondContact OE1-NH1 3.05Å; E737-R780 IonicContact OE1-NH2 2.7Å; E737-R780 PolarHBondContact OE1-NH2 3.18Å; E737-R780 IonicContact OE2-NH1 3.64Å; E737-R780 IonicContact OE2-NH2 3.14Å |
| 738 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 176.1 | -69.5 | 164.8 | 0 | 0 | 0 | 110.7 | L694 T698 I709 M713 L716 A734 I735 I740 Q741 M742 M746 | L694-I738 HydrophobicContact CD2-CD1 4.17Å; L694-I738 HydrophobicContact CG-CD1 4.37Å; T698-I738 HydrophobicContact CG2-CB 4.4Å; T698-I738 HydrophobicContact CG2-CG1 3.83Å; I709-I738 HydrophobicContact CD1-CD1 3.93Å; I709-I738 HydrophobicContact CD1-CG1 4.04Å; I709-I738 HydrophobicContact CD1-CG2 3.74Å; I709-I738 HydrophobicContact CG1-CG2 4.48Å; I709-I738 HydrophobicContact CG2-CG2 4.43Å; M713-I738 HydrophobicContact SD-CD1 4.44Å; M713-I738 HydrophobicContact SD-CG2 4.32Å; L716-I738 HydrophobicContact CD1-CD1 3.75Å; A734-I738 WeakPolarHBondContact O-CB 3.46Å; A734-I738 WeakPolarHBondContact O-CD1 3.32Å; A734-I738 VanDerWaalsContact O-CG1 3.24Å; A734-I738 WeakPolarHBondContact O-CG1 3.44Å; A734-I738 PolarHBondContact O-N 2.97Å; I735-I738 PolarHBondContact O-N 2.72Å; I738-I740 VanDerWaalsContact C-N 3.33Å; I738-I740 PolarHBondContact O-N 2.97Å; I738-Q741 PolarHBondContact O-N 3.34Å; I738-M742 HydrophobicContact CG2-CG 3.89Å; I738-M742 WeakPolarHBondContact O-CB 3.22Å; I738-M742 WeakPolarHBondContact O-CG 3.21Å; I738-M742 PolarHBondContact O-N 3.33Å; I738-M746 HydrophobicContact CG2-SD 4.42Å |
| 739 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | -178.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | I735 G736 E737 Q741 M742 G743 L781 V784 | I735-S739 WeakPolarHBondContact O-CB 3.28Å; I735-S739 PolarHBondContact O-N 2.85Å; I735-S739 PolarHBondContact O-OG 3.2Å; G736-S739 WeakPolarHBondContact O-CB 3.38Å; G736-S739 PolarHBondContact O-N 2.96Å; E737-S739 VanDerWaalsContact C-N 3.26Å; E737-S739 PolarHBondContact O-N 3.22Å; S739-Q741 VanDerWaalsContact C-N 3.34Å; S739-Q741 PolarHBondContact O-N 3.41Å; S739-M742 PolarHBondContact O-N 2.91Å; S739-G743 PolarHBondContact O-N 3.42Å; S739-L781 WeakPolarHBondContact OG-CD2 3.48Å; S739-V784 WeakPolarHBondContact O-CG1 3.34Å |
| 740 | I | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 30 Ų | 30 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.1 | -66.9 | -58.8 | 0 | 0 | 0 | 111.7 | G736 E737 I738 R780 Y783 V784 | G736-I740 PolarHBondContact O-N 3.01Å; E737-I740 PolarHBondContact O-N 3.33Å; I738-I740 VanDerWaalsContact C-N 3.33Å; I738-I740 PolarHBondContact O-N 2.97Å; I740-R780 HydrophobicContact CD1-CB 3.96Å; I740-R780 HydrophobicContact CD1-CG 3.87Å; I740-R780 HydrophobicContact CG1-CB 4.15Å; I740-R780 HydrophobicContact CG1-CG 3.95Å; I740-Y783 HydrophobicContact CD1-CD1 3.91Å; I740-V784 HydrophobicContact CD1-CG1 4.4Å |
| 741 | Q | 97.8 | Very high | 97.9 | Very high | 83 Ų | 83 | 34.4 Ų | 34.4 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.7 | -34.3 | 179.7 | -61.9 | -63.1 | -22.6 | 0 | 0 | 113.3 | T698 F702 E737 I738 S739 | T698-Q741 HydrophobicContact CG2-CB 4.33Å; T698-Q741 HydrophobicContact CG2-CG 3.73Å; F702-Q741 HydrophobicContact CB-CB 4.3Å; F702-Q741 HydrophobicContact CB-CG 4.21Å; F702-Q741 HydrophobicContact CD1-CB 3.6Å; F702-Q741 HydrophobicContact CD1-CG 4.43Å; F702-Q741 HydrophobicContact CD2-CB 3.73Å; F702-Q741 HydrophobicContact CD2-CG 4.14Å; F702-Q741 HydrophobicContact CE1-CB 3.72Å; F702-Q741 HydrophobicContact CE2-CB 3.88Å; F702-Q741 HydrophobicContact CG-CB 3.6Å; F702-Q741 HydrophobicContact CG-CG 4.01Å; F702-Q741 HydrophobicContact CZ-CB 3.87Å; E737-Q741 PolarHBondContact O-N 2.92Å; I738-Q741 PolarHBondContact O-N 3.34Å; S739-Q741 VanDerWaalsContact C-N 3.34Å; S739-Q741 PolarHBondContact O-N 3.41Å |
| 742 | M | 97.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.069 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.1 | -32.9 | 178.2 | -76.8 | -70.7 | -75.6 | 0 | 0 | 113 | F702 I709 I738 S739 E745 M746 Y749 | F702-M742 HydrophobicContact CE1-SD 4.24Å; F702-M742 HydrophobicContact CZ-CG 3.77Å; F702-M742 HydrophobicContact CZ-SD 3.64Å; I709-M742 HydrophobicContact CG2-CE 4.16Å; I709-M742 HydrophobicContact CG2-SD 4.37Å; I738-M742 HydrophobicContact CG2-CG 3.89Å; I738-M742 WeakPolarHBondContact O-CB 3.22Å; I738-M742 WeakPolarHBondContact O-CG 3.21Å; I738-M742 PolarHBondContact O-N 3.33Å; S739-M742 PolarHBondContact O-N 2.91Å; M742-E745 HydrophobicContact CE-CB 3.63Å; M742-E745 WeakPolarHBondContact CE-O 3.39Å; M742-E745 WeakPolarHBondContact O-CB 3Å; M742-E745 PolarHBondContact O-N 3Å; M742-E745 HydrophobicContact SD-CB 4.41Å; M742-M746 HydrophobicContact CB-CB 4.05Å; M742-Y749 HydrophobicContact CE-CE2 4.07Å |
| 743 | G | 97.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 57.6 | -136.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S739 E745 M746 | S739-G743 PolarHBondContact O-N 3.42Å; G743-E745 PolarHBondContact O-N 2.88Å; G743-E745 VanDerWaalsContact O-N 3.11Å; G743-M746 VanDerWaalsContact O-CB 3.26Å; G743-M746 WeakPolarHBondContact O-CB 3.27Å; G743-M746 PolarHBondContact O-N 3.31Å |
| 744 | P | 96.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 70% | 0.695 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -61 | -19.2 | -179.9 | -24.4 | 34.9 | 0 | 0 | 0 | 115.1 | M746 Q747 | P744-M746 PolarHBondContact O-N 2.84Å; P744-Q747 WeakPolarHBondContact O-CB 3.18Å; P744-Q747 PolarHBondContact O-N 3.04Å |
| 745 | E | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 44.2 Ų | 44.2 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -67.2 | -10.6 | 175.7 | -63.6 | 179.6 | -129.7 | 0 | 0 | 112.3 | K706 M742 G743 Q747 P748 | K706-E745 VanDerWaalsContact CE-OE2 3.27Å; K706-E745 WeakPolarHBondContact CE-OE2 3.49Å; K706-E745 IonicContact NZ-OE1 3.41Å; K706-E745 PolarHBondContact NZ-OE1 3.07Å; K706-E745 IonicContact NZ-OE2 3.9Å; K706-E745 PolarHBondContact NZ-OE2 3.27Å; M742-E745 HydrophobicContact CE-CB 3.63Å; M742-E745 WeakPolarHBondContact CE-O 3.39Å; M742-E745 WeakPolarHBondContact O-CB 3Å; M742-E745 PolarHBondContact O-N 3Å; M742-E745 HydrophobicContact SD-CB 4.41Å; G743-E745 PolarHBondContact O-N 2.88Å; G743-E745 VanDerWaalsContact O-N 3.11Å; E745-Q747 VanDerWaalsContact C-N 3.26Å; E745-Q747 PolarHBondContact O-N 2.94Å; E745-P748 VanDerWaalsContact O-CD 3.23Å; E745-P748 WeakPolarHBondContact O-CD 3.45Å |
| 746 | M | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -71.5 | -18.9 | 176.3 | -167.8 | 57.8 | 178.5 | 0 | 0 | 113.5 | M713 I735 I738 M742 G743 P744 P748 Y749 I750 L781 V784 | M713-M746 HydrophobicContact CE-CE 3.4Å; M713-M746 HydrophobicContact SD-CE 3.82Å; I735-M746 HydrophobicContact CG2-CE 4.07Å; I738-M746 HydrophobicContact CG2-SD 4.42Å; M742-M746 HydrophobicContact CB-CB 4.05Å; G743-M746 VanDerWaalsContact O-CB 3.26Å; G743-M746 WeakPolarHBondContact O-CB 3.27Å; G743-M746 PolarHBondContact O-N 3.31Å; P744-M746 PolarHBondContact O-N 2.84Å; M746-P748 VanDerWaalsContact C-N 3.33Å; M746-P748 WeakPolarHBondContact O-CD 3.42Å; M746-P748 VanDerWaalsContact O-N 3.1Å; M746-Y749 PolarHBondContact O-N 3.47Å; M746-Y749 HydrophobicContact SD-CD2 4.03Å; M746-I750 HydrophobicContact CG-CG1 4.45Å; M746-L781 HydrophobicContact CE-CD2 3.92Å; M746-L781 HydrophobicContact CG-CD2 4.04Å; M746-V784 HydrophobicContact CB-CG2 4.19Å |
| 747 | Q | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 47 Ų | 47 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -46.1 | -43.5 | -173 | -170.4 | -82.7 | -22.3 | 0 | 0 | 115.1 | P744 E745 Y749 I750 E788 | P744-Q747 WeakPolarHBondContact O-CB 3.18Å; P744-Q747 PolarHBondContact O-N 3.04Å; E745-Q747 VanDerWaalsContact C-N 3.26Å; E745-Q747 PolarHBondContact O-N 2.94Å; Q747-Y749 PolarHBondContact O-N 2.9Å; Q747-I750 PolarHBondContact O-N 3.29Å; Q747-E788 HydrophobicContact CG-CG 4.13Å; Q747-E788 PolarHBondContact NE2-OE1 2.97Å |
| 748 | P | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 46.8 Ų | 46.8 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -23.1 | -178.1 | -22.7 | 35.3 | 0 | 0 | 0 | 114.5 | E745 M746 | E745-P748 VanDerWaalsContact O-CD 3.23Å; E745-P748 WeakPolarHBondContact O-CD 3.45Å; M746-P748 VanDerWaalsContact C-N 3.33Å; M746-P748 WeakPolarHBondContact O-CD 3.42Å; M746-P748 VanDerWaalsContact O-N 3.1Å |
| 749 | Y | 98.1 | Very high | 97.6 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 19% | 0.192 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -96.9 | -13 | -172.9 | -52.2 | -75.8 | 0 | 0 | 0 | 113.3 | I709 M713 M742 M746 Q747 A751 M752 | I709-Y749 HydrophobicContact CG2-CE2 4.08Å; M713-Y749 HydrophobicContact CB-CD1 3.55Å; M713-Y749 HydrophobicContact CB-CE1 3.98Å; M713-Y749 HydrophobicContact CB-CG 4.05Å; M713-Y749 HydrophobicContact CG-CD1 3.85Å; M713-Y749 HydrophobicContact CG-CD2 4.34Å; M713-Y749 HydrophobicContact CG-CE1 4.25Å; M713-Y749 HydrophobicContact CG-CG 3.9Å; M742-Y749 HydrophobicContact CE-CE2 4.07Å; M746-Y749 PolarHBondContact O-N 3.47Å; M746-Y749 HydrophobicContact SD-CD2 4.03Å; Q747-Y749 PolarHBondContact O-N 2.9Å; Y749-A751 VanDerWaalsContact C-N 3.34Å; Y749-A751 PolarHBondContact O-N 3.06Å; Y749-M752 HydrophobicContact CD1-SD 4.4Å; Y749-M752 WeakPolarHBondContact O-CB 3.34Å; Y749-M752 PolarHBondContact O-N 3.4Å; Y749-M752 VanDerWaalsContact O-N 3.1Å |
| 750 | I | 97.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -174.1 | -65.6 | 179.5 | 0 | 0 | 0 | 111.7 | M746 Q747 M752 V753 L754 L781 C785 E788 V789 | M746-I750 HydrophobicContact CG-CG1 4.45Å; Q747-I750 PolarHBondContact O-N 3.29Å; I750-M752 PolarHBondContact O-N 3.2Å; I750-M752 VanDerWaalsContact O-N 3.1Å; I750-V753 PolarHBondContact O-N 2.93Å; I750-V753 VanDerWaalsContact O-N 3.13Å; I750-L754 HydrophobicContact CG2-CB 3.93Å; I750-L754 HydrophobicContact CG2-CD2 3.91Å; I750-L754 VanDerWaalsContact O-CB 3.25Å; I750-L754 WeakPolarHBondContact O-CB 3.39Å; I750-L754 PolarHBondContact O-N 3.42Å; I750-L781 HydrophobicContact CG1-CD2 4.32Å; I750-C785 HydrophobicContact CD1-CB 3.08Å; I750-E788 HydrophobicContact CD1-CB 3.97Å; I750-E788 HydrophobicContact CD1-CG 4.12Å; I750-E788 HydrophobicContact CG2-CB 4.02Å; I750-V789 HydrophobicContact CG2-CG2 4.24Å |
| 751 | A | 94.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 77% | 0.769 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.3 | -24 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y749 | Y749-A751 VanDerWaalsContact C-N 3.34Å; Y749-A751 PolarHBondContact O-N 3.06Å |
| 752 | M | 96.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -78.3 | -30 | -179.9 | -60.8 | 175.2 | 52.1 | 0 | 0 | 112.9 | P714 Y749 I750 Q756 | P714-M752 VanDerWaalsContact CA-CE 3.47Å; P714-M752 HydrophobicContact CB-CE 3.94Å; P714-M752 HydrophobicContact CG-CE 3.98Å; Y749-M752 HydrophobicContact CD1-SD 4.4Å; Y749-M752 WeakPolarHBondContact O-CB 3.34Å; Y749-M752 PolarHBondContact O-N 3.4Å; Y749-M752 VanDerWaalsContact O-N 3.1Å; I750-M752 PolarHBondContact O-N 3.2Å; I750-M752 VanDerWaalsContact O-N 3.1Å; M752-Q756 PolarHBondContact O-NE2 3.43Å |
| 753 | V | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -111.6 | -34.2 | -170.3 | -60.4 | 0 | 0 | 0 | 0 | 113 | M713 L720 I735 I750 H755 Q756 L757 L781 | M713-V753 HydrophobicContact CE-CG1 3.87Å; L720-V753 HydrophobicContact CD1-CB 3.92Å; L720-V753 HydrophobicContact CD1-CG1 4.13Å; I735-V753 HydrophobicContact CD1-CB 4.4Å; I735-V753 HydrophobicContact CD1-CG1 3.93Å; I735-V753 HydrophobicContact CG2-CG2 4.36Å; I750-V753 PolarHBondContact O-N 2.93Å; I750-V753 VanDerWaalsContact O-N 3.13Å; V753-H755 PolarHBondContact O-N 3.25Å; V753-Q756 PolarHBondContact O-N 3.12Å; V753-L757 HydrophobicContact CB-CD1 4.36Å; V753-L757 HydrophobicContact CG2-CD1 4.37Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 3.1Å; V753-L757 VanDerWaalsContact O-N 3.07Å; V753-L781 HydrophobicContact CG2-CD1 4.06Å |
| 754 | L | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | -167.8 | 178.8 | 61.2 | 0 | 0 | 0 | 113.3 | I750 Q756 L757 V758 V789 M792 | I750-L754 HydrophobicContact CG2-CB 3.93Å; I750-L754 HydrophobicContact CG2-CD2 3.91Å; I750-L754 VanDerWaalsContact O-CB 3.25Å; I750-L754 WeakPolarHBondContact O-CB 3.39Å; I750-L754 PolarHBondContact O-N 3.42Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; L754-Q756 PolarHBondContact O-N 2.84Å; L754-L757 PolarHBondContact O-N 3.04Å; L754-V758 HydrophobicContact CD1-CG2 4.1Å; L754-V758 WeakPolarHBondContact O-CG2 3.35Å; L754-V758 PolarHBondContact O-N 3.35Å; L754-V789 HydrophobicContact CD1-CG1 3.84Å; L754-V789 HydrophobicContact CD1-CG2 4.49Å; L754-V789 HydrophobicContact CD2-CB 4.41Å; L754-V789 HydrophobicContact CD2-CG1 4.32Å; L754-V789 HydrophobicContact CD2-CG2 4.21Å; L754-M792 HydrophobicContact CD2-CG 4.47Å; L754-M792 HydrophobicContact CD2-SD 3.58Å; L754-M792 VanDerWaalsContact CD2-SD 3.58Å; L754-M792 HydrophobicContact CG-SD 3.71Å |
| 755 | H | 97.4 | Very high | 96.9 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 179.7 | -176.4 | -75.6 | 0 | 0 | 0 | 111.7 | V753 V758 E759 | V753-H755 PolarHBondContact O-N 3.25Å; H755-V758 PolarHBondContact O-N 3.24Å; H755-E759 IonicContact CE1-OE2 2.72Å; H755-E759 IonicContact ND1-OE2 3.84Å; H755-E759 PolarHBondContact O-N 3.2Å |
| 756 | Q | 98.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -42 | -179.7 | -62.5 | -178.6 | 75.7 | 0 | 0 | 111 | G717 L720 M752 V753 L754 V758 E759 I760 | G717-Q756 PolarHBondContact O-NE2 3.4Å; G717-Q756 PolarHBondContact O-OE1 3.15Å; L720-Q756 HydrophobicContact CB-CB 4.06Å; L720-Q756 HydrophobicContact CD1-CB 3.99Å; L720-Q756 PolarHBondContact O-OE1 3.16Å; M752-Q756 PolarHBondContact O-NE2 3.43Å; V753-Q756 PolarHBondContact O-N 3.12Å; L754-Q756 VanDerWaalsContact C-N 3.34Å; L754-Q756 PolarHBondContact O-N 2.84Å; Q756-V758 VanDerWaalsContact C-N 3.34Å; Q756-V758 PolarHBondContact O-N 2.65Å; Q756-E759 WeakPolarHBondContact O-CB 3.13Å; Q756-E759 PolarHBondContact O-N 3.05Å; Q756-E759 VanDerWaalsContact O-N 3.15Å; Q756-I760 WeakPolarHBondContact O-CD1 3.38Å; Q756-I760 VanDerWaalsContact O-CG1 3.26Å; Q756-I760 WeakPolarHBondContact O-CG1 3.4Å; Q756-I760 PolarHBondContact O-N 3.37Å |
| 757 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.9 | -65.8 | 170.6 | 0 | 0 | 0 | 112.4 | L720 T732 V753 L754 E759 I760 I761 T774 T777 I778 L781 | L720-L757 HydrophobicContact CD1-CD2 4.19Å; L720-L757 HydrophobicContact CD1-CG 4.16Å; L720-L757 HydrophobicContact CD2-CD2 4.07Å; T732-L757 HydrophobicContact CG2-CD2 3.63Å; V753-L757 HydrophobicContact CB-CD1 4.36Å; V753-L757 HydrophobicContact CG2-CD1 4.37Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 3.1Å; V753-L757 VanDerWaalsContact O-N 3.07Å; L754-L757 PolarHBondContact O-N 3.04Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 2.89Å; L757-I760 PolarHBondContact O-N 3.43Å; L757-I761 PolarHBondContact O-N 3.1Å; L757-T774 HydrophobicContact CB-CG2 4.14Å; L757-T774 HydrophobicContact CD2-CG2 4.05Å; L757-T774 VanDerWaalsContact O-CG2 3.24Å; L757-T774 WeakPolarHBondContact O-CG2 3.4Å; L757-T777 HydrophobicContact CD1-CG2 3.84Å; L757-I778 HydrophobicContact CB-CD1 3.97Å; L757-I778 HydrophobicContact CB-CG1 3.81Å; L757-I778 HydrophobicContact CD1-CG1 4.31Å; L757-L781 HydrophobicContact CD1-CD1 3.59Å |
| 758 | V | 98.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.1 | -29.6 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | L754 H755 Q756 I761 N762 I778 M792 Q795 F796 | L754-V758 HydrophobicContact CD1-CG2 4.1Å; L754-V758 WeakPolarHBondContact O-CG2 3.35Å; L754-V758 PolarHBondContact O-N 3.35Å; H755-V758 PolarHBondContact O-N 3.24Å; Q756-V758 VanDerWaalsContact C-N 3.34Å; Q756-V758 PolarHBondContact O-N 2.65Å; V758-I761 WeakPolarHBondContact O-CG2 3.24Å; V758-N762 PolarHBondContact O-ND2 3.46Å; V758-I778 HydrophobicContact CG2-CD1 4.3Å; V758-M792 HydrophobicContact CB-CE 3.92Å; V758-M792 HydrophobicContact CG1-CE 3.89Å; V758-M792 HydrophobicContact CG2-CE 3.78Å; V758-M792 HydrophobicContact CG2-SD 4.34Å; V758-Q795 HydrophobicContact CG1-CB 3.93Å; V758-F796 HydrophobicContact CG2-CD1 3.94Å |
| 759 | E | 98 | Very high | 95.5 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70 | -47.8 | 172.3 | -172.4 | 173.8 | 167.7 | 0 | 0 | 111.3 | H755 Q756 L757 I761 N762 R763 | H755-E759 IonicContact CE1-OE2 2.72Å; H755-E759 IonicContact ND1-OE2 3.84Å; H755-E759 PolarHBondContact O-N 3.2Å; Q756-E759 WeakPolarHBondContact O-CB 3.13Å; Q756-E759 PolarHBondContact O-N 3.05Å; Q756-E759 VanDerWaalsContact O-N 3.15Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 2.89Å; E759-I761 PolarHBondContact O-N 3.3Å; E759-N762 PolarHBondContact O-N 2.95Å; E759-R763 PolarHBondContact O-N 2.92Å; E759-R763 VanDerWaalsContact O-N 3.13Å |
| 760 | I | 98.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 179.6 | -68.1 | 161.1 | 0 | 0 | 0 | 111.1 | L720 P722 Q756 L757 N762 R763 L770 T774 | L720-I760 HydrophobicContact CB-CD1 4.19Å; P722-I760 HydrophobicContact CB-CG1 4.34Å; P722-I760 HydrophobicContact CG-CG1 4.36Å; Q756-I760 WeakPolarHBondContact O-CD1 3.38Å; Q756-I760 VanDerWaalsContact O-CG1 3.26Å; Q756-I760 WeakPolarHBondContact O-CG1 3.4Å; Q756-I760 PolarHBondContact O-N 3.37Å; L757-I760 PolarHBondContact O-N 3.43Å; I760-N762 PolarHBondContact O-N 3.47Å; I760-N762 VanDerWaalsContact O-N 3.1Å; I760-R763 WeakPolarHBondContact O-CB 3.37Å; I760-R763 PolarHBondContact O-N 3.09Å; I760-L770 HydrophobicContact CG2-CD1 4.31Å; I760-L770 HydrophobicContact CG2-CD2 4.15Å; I760-L770 HydrophobicContact CG2-CG 4.02Å; I760-T774 HydrophobicContact CB-CG2 4.32Å; I760-T774 HydrophobicContact CG2-CG2 4.21Å |
| 761 | I | 98.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.8 | -177.8 | -158.6 | 170.6 | 0 | 0 | 0 | 113.5 | L757 V758 E759 T774 A775 I778 F796 P799 W800 | L757-I761 PolarHBondContact O-N 3.1Å; V758-I761 WeakPolarHBondContact O-CG2 3.24Å; E759-I761 PolarHBondContact O-N 3.3Å; I761-T774 HydrophobicContact CB-CG2 3.83Å; I761-T774 HydrophobicContact CG1-CG2 4.45Å; I761-A775 HydrophobicContact CD1-CB 3.82Å; I761-I778 HydrophobicContact CB-CD1 4.42Å; I761-I778 HydrophobicContact CD1-CD1 4.1Å; I761-I778 HydrophobicContact CG2-CD1 4.15Å; I761-F796 HydrophobicContact CG2-CB 3.82Å; I761-P799 HydrophobicContact CG1-CB 4.03Å; I761-P799 HydrophobicContact CG1-CG 4.1Å; I761-P799 HydrophobicContact CG2-CG 4.29Å; I761-P799 VanDerWaalsContact O-CB 3.24Å; I761-P799 WeakPolarHBondContact O-CB 3.39Å; I761-W800 HydrophobicContact CD1-CB 3.94Å |
| 762 | N | 97.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -0.8 | 176.9 | -76.4 | -71.8 | 0 | 0 | 0 | 113.1 | V758 E759 I760 Q795 | V758-N762 PolarHBondContact O-ND2 3.46Å; E759-N762 PolarHBondContact O-N 2.95Å; I760-N762 PolarHBondContact O-N 3.47Å; I760-N762 VanDerWaalsContact O-N 3.1Å; N762-Q795 PolarHBondContact ND2-O 3.37Å; N762-Q795 PolarHBondContact OD1-O 3.03Å |
| 763 | R | 95.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 36% | 0.362 | 23% | 0.234 | S | C | . | . | trans | -75.4 | 125.8 | -176.9 | -176.8 | -177.3 | -176.5 | -131.1 | 10.3 | 110 | P722 E759 I760 T766 | P722-R763 PolarHBondContact O-NH1 3.38Å; E759-R763 PolarHBondContact O-N 2.92Å; E759-R763 VanDerWaalsContact O-N 3.13Å; I760-R763 WeakPolarHBondContact O-CB 3.37Å; I760-R763 PolarHBondContact O-N 3.09Å; R763-T766 WeakPolarHBondContact CB-OG1 3.41Å; R763-T766 WeakPolarHBondContact CG-OG1 3.26Å; R763-T766 PolarHBondContact O-OG1 3.01Å | ||
| 764 | P | 91.9 | Very high | 95.5 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 67% | 0.669 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 154.3 | 176.2 | 30.3 | -35.4 | 0 | 0 | 0 | 110.7 | T766 | P764-T766 VanDerWaalsContact C-N 3.25Å; P764-T766 PolarHBondContact O-N 3.25Å |
| 765 | N | 89.3 | Confident | 95.5 | Very high | 166 Ų | 166 | 45.3 Ų | 45.3 | 89% | 0.888 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.2 | 178.5 | -50.3 | -13.7 | 0 | 0 | 0 | 112.5 | ||
| 766 | T | 90.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | trans | -100.2 | 131.6 | 174 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | R763 P764 L770 L771 | R763-T766 WeakPolarHBondContact CB-OG1 3.41Å; R763-T766 WeakPolarHBondContact CG-OG1 3.26Å; R763-T766 PolarHBondContact O-OG1 3.01Å; P764-T766 VanDerWaalsContact C-N 3.25Å; P764-T766 PolarHBondContact O-N 3.25Å; T766-L770 HydrophobicContact CG2-CB 4.13Å; T766-L770 HydrophobicContact CG2-CD2 3.69Å; T766-L770 HydrophobicContact CG2-CG 3.94Å; T766-L771 HydrophobicContact CG2-CD2 3.87Å; T766-L771 HydrophobicContact CG2-CG 3.95Å; T766-L771 WeakPolarHBondContact O-CD1 3.5Å | ||
| 767 | P | 90.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | trans | -56.1 | 147.1 | -179.2 | -30.4 | 38.9 | 0 | 0 | 0 | 112.8 | I725 T769 L770 L771 | I725-P767 HydrophobicContact CD1-CG 3.9Å; I725-P767 HydrophobicContact CG1-CG 4.46Å; I725-P767 HydrophobicContact CG2-CB 4.41Å; I725-P767 HydrophobicContact CG2-CG 3.9Å; P767-T769 VanDerWaalsContact C-N 3.32Å; P767-T769 PolarHBondContact O-N 3.46Å; P767-L770 PolarHBondContact O-N 3.18Å; P767-L771 PolarHBondContact O-N 3.47Å | ||
| 768 | K | 90.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.5 | -45.9 | -173 | -175.2 | -173.8 | -179.5 | -165.3 | 0 | 111.9 | H349 D357 L770 L771 E772 | H349-K768 PolarHBondContact CD2-NZ 2.98Å; H349-K768 WeakPolarHBondContact CE1-CE 3.5Å; H349-K768 PolarHBondContact CE1-NZ 3.43Å; H349-K768 PolarHBondContact ND1-NZ 2.71Å; H349-K768 VanDerWaalsContact NE2-CE 3.34Å; H349-K768 WeakPolarHBondContact NE2-CE 3.48Å; H349-K768 PolarHBondContact NE2-NZ 3.14Å; D357-K768 VanDerWaalsContact OD2-CB 3.26Å; D357-K768 WeakPolarHBondContact OD2-CB 3.48Å; D357-K768 PolarHBondContact OD2-N 3.18Å; K768-L770 VanDerWaalsContact C-N 3.33Å; K768-L770 PolarHBondContact O-N 2.84Å; K768-L771 WeakPolarHBondContact O-CB 3.41Å; K768-L771 PolarHBondContact O-N 3.17Å; K768-L771 VanDerWaalsContact O-N 3.08Å; K768-E772 VanDerWaalsContact CE-OE1 3.22Å; K768-E772 WeakPolarHBondContact CE-OE1 3.36Å; K768-E772 VanDerWaalsContact CG-OE1 3.31Å; K768-E772 WeakPolarHBondContact CG-OE1 3.47Å; K768-E772 WeakPolarHBondContact O-CG 3.24Å; K768-E772 PolarHBondContact O-N 3.16Å |
| 769 | T | 90.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -43.6 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | V345 A346 N729 P767 E772 N773 | V345-T769 WeakPolarHBondContact O-CG2 3.46Å; A346-T769 HydrophobicContact CB-CG2 3.68Å; N729-T769 PolarHBondContact OD1-O 3.18Å; P767-T769 VanDerWaalsContact C-N 3.32Å; P767-T769 PolarHBondContact O-N 3.46Å; T769-E772 PolarHBondContact O-N 2.86Å; T769-N773 PolarHBondContact O-N 3.46Å |
| 770 | L | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -40.1 | 177.7 | 175.8 | 57 | 0 | 0 | 0 | 111.5 | I725 C728 N729 I760 T766 P767 K768 E772 T774 | I725-L770 HydrophobicContact CG2-CD2 4.31Å; C728-L770 HydrophobicContact CB-CD1 4.42Å; N729-L770 HydrophobicContact CB-CD1 4.05Å; N729-L770 WeakPolarHBondContact OD1-CA 3.32Å; I760-L770 HydrophobicContact CG2-CD1 4.31Å; I760-L770 HydrophobicContact CG2-CD2 4.15Å; I760-L770 HydrophobicContact CG2-CG 4.02Å; T766-L770 HydrophobicContact CG2-CB 4.13Å; T766-L770 HydrophobicContact CG2-CD2 3.69Å; T766-L770 HydrophobicContact CG2-CG 3.94Å; P767-L770 PolarHBondContact O-N 3.18Å; K768-L770 VanDerWaalsContact C-N 3.33Å; K768-L770 PolarHBondContact O-N 2.84Å; L770-E772 VanDerWaalsContact C-N 3.31Å; L770-E772 PolarHBondContact O-N 3.47Å; L770-T774 VanDerWaalsContact O-CB 3.23Å; L770-T774 WeakPolarHBondContact O-CB 3.4Å; L770-T774 PolarHBondContact O-N 3.32Å; L770-T774 PolarHBondContact O-OG1 3.29Å |
| 771 | L | 96.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.4 | -67.8 | 175.8 | 0 | 0 | 0 | 111.9 | T766 P767 K768 T774 A775 | T766-L771 HydrophobicContact CG2-CD2 3.87Å; T766-L771 HydrophobicContact CG2-CG 3.95Å; T766-L771 WeakPolarHBondContact O-CD1 3.5Å; P767-L771 PolarHBondContact O-N 3.47Å; K768-L771 WeakPolarHBondContact O-CB 3.41Å; K768-L771 PolarHBondContact O-N 3.17Å; K768-L771 VanDerWaalsContact O-N 3.08Å; L771-T774 PolarHBondContact O-N 3.31Å; L771-A775 VanDerWaalsContact O-CB 3.31Å; L771-A775 WeakPolarHBondContact O-CB 3.19Å; L771-A775 PolarHBondContact O-N 2.78Å |
| 772 | E | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -49.9 | 179.1 | -71.8 | 171.8 | 176.6 | 0 | 0 | 112.3 | Q347 H349 K768 T769 L770 T774 A775 I776 L804 I807 | Q347-E772 WeakPolarHBondContact CB-OE2 3.46Å; Q347-E772 HydrophobicContact CG-CB 4.28Å; H349-E772 IonicContact CE1-OE1 3.26Å; H349-E772 PolarHBondContact CE1-OE1 2.66Å; H349-E772 IonicContact CE1-OE2 3.34Å; H349-E772 PolarHBondContact CE1-OE2 2.93Å; H349-E772 IonicContact NE2-OE1 2.85Å; H349-E772 IonicContact NE2-OE2 2.74Å; K768-E772 VanDerWaalsContact CE-OE1 3.22Å; K768-E772 WeakPolarHBondContact CE-OE1 3.36Å; K768-E772 VanDerWaalsContact CG-OE1 3.31Å; K768-E772 WeakPolarHBondContact CG-OE1 3.47Å; K768-E772 WeakPolarHBondContact O-CG 3.24Å; K768-E772 PolarHBondContact O-N 3.16Å; T769-E772 PolarHBondContact O-N 2.86Å; L770-E772 VanDerWaalsContact C-N 3.31Å; L770-E772 PolarHBondContact O-N 3.47Å; E772-T774 VanDerWaalsContact C-N 3.28Å; E772-T774 PolarHBondContact O-N 2.96Å; E772-A775 PolarHBondContact O-N 2.88Å; E772-I776 WeakPolarHBondContact O-CG1 3.39Å; E772-I776 PolarHBondContact O-N 2.96Å; E772-L804 HydrophobicContact CB-CD2 4.45Å; E772-I807 HydrophobicContact CB-CG2 4.48Å; E772-I807 VanDerWaalsContact CD-CG2 3.48Å; E772-I807 HydrophobicContact CG-CG2 3.98Å |
| 773 | N | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -38 | 174.9 | -81.4 | -38.8 | 0 | 0 | 0 | 111.7 | V345 N729 T732 T769 I776 T777 | V345-N773 PolarHBondContact O-ND2 2.78Å; N729-N773 PolarHBondContact ND2-ND2 3.03Å; N729-N773 PolarHBondContact OD1-ND2 3.18Å; T732-N773 HydrophobicContact CG2-CB 4.46Å; T769-N773 PolarHBondContact O-N 3.46Å; N773-I776 PolarHBondContact O-N 3.33Å; N773-T777 WeakPolarHBondContact O-CB 3.41Å; N773-T777 PolarHBondContact O-N 3Å; N773-T777 PolarHBondContact O-OG1 2.98Å |
| 774 | T | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | L757 I760 I761 L770 L771 E772 T777 I778 | L757-T774 HydrophobicContact CB-CG2 4.14Å; L757-T774 HydrophobicContact CD2-CG2 4.05Å; L757-T774 VanDerWaalsContact O-CG2 3.24Å; L757-T774 WeakPolarHBondContact O-CG2 3.4Å; I760-T774 HydrophobicContact CB-CG2 4.32Å; I760-T774 HydrophobicContact CG2-CG2 4.21Å; I761-T774 HydrophobicContact CB-CG2 3.83Å; I761-T774 HydrophobicContact CG1-CG2 4.45Å; L770-T774 VanDerWaalsContact O-CB 3.23Å; L770-T774 WeakPolarHBondContact O-CB 3.4Å; L770-T774 PolarHBondContact O-N 3.32Å; L770-T774 PolarHBondContact O-OG1 3.29Å; L771-T774 PolarHBondContact O-N 3.31Å; E772-T774 VanDerWaalsContact C-N 3.28Å; E772-T774 PolarHBondContact O-N 2.96Å; T774-T777 PolarHBondContact O-N 2.95Å; T774-I778 HydrophobicContact CG2-CD1 4.01Å; T774-I778 VanDerWaalsContact O-CG1 3.32Å; T774-I778 WeakPolarHBondContact O-CG1 3.31Å; T774-I778 PolarHBondContact O-N 3.48Å |
| 775 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I761 L771 E772 T777 I778 G779 W800 L804 | I761-A775 HydrophobicContact CD1-CB 3.82Å; L771-A775 VanDerWaalsContact O-CB 3.31Å; L771-A775 WeakPolarHBondContact O-CB 3.19Å; L771-A775 PolarHBondContact O-N 2.78Å; E772-A775 PolarHBondContact O-N 2.88Å; A775-T777 PolarHBondContact O-N 3.33Å; A775-I778 PolarHBondContact O-N 3.36Å; A775-G779 PolarHBondContact O-N 3.14Å; A775-W800 HydrophobicContact CB-CG 4.06Å; A775-W800 VanDerWaalsContact O-CD1 3.3Å; A775-W800 PolarHBondContact O-NE1 3.21Å; A775-L804 HydrophobicContact CB-CD1 3.93Å; A775-L804 HydrophobicContact CB-CD2 3.84Å; A775-L804 HydrophobicContact CB-CG 3.69Å |
| 776 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 175.9 | -71.1 | 160.3 | 0 | 0 | 0 | 110.3 | Q347 E772 N773 G779 R780 L804 I807 E812 A816 | Q347-I776 HydrophobicContact CG-CD1 3.91Å; E772-I776 WeakPolarHBondContact O-CG1 3.39Å; E772-I776 PolarHBondContact O-N 2.96Å; N773-I776 PolarHBondContact O-N 3.33Å; I776-G779 WeakPolarHBondContact O-CA 3.49Å; I776-G779 PolarHBondContact O-N 2.97Å; I776-G779 VanDerWaalsContact O-N 3.15Å; I776-R780 HydrophobicContact CG2-CG 4.35Å; I776-R780 WeakPolarHBondContact O-CG 3.42Å; I776-R780 PolarHBondContact O-N 3.3Å; I776-L804 HydrophobicContact CD1-CD2 4.29Å; I776-L804 HydrophobicContact CG1-CD1 4.37Å; I776-L804 HydrophobicContact CG1-CD2 3.8Å; I776-I807 HydrophobicContact CD1-CD1 4.33Å; I776-E812 HydrophobicContact CD1-CB 4.13Å; I776-E812 HydrophobicContact CG2-CB 4.32Å; I776-A816 HydrophobicContact CB-CB 4.4Å; I776-A816 HydrophobicContact CG1-CB 4.29Å; I776-A816 HydrophobicContact CG2-CB 4.45Å |
| 777 | T | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | -178.4 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | T732 I735 G736 L757 N773 T774 A775 G779 R780 L781 | T732-T777 HydrophobicContact CG2-CG2 4.35Å; T732-T777 WeakPolarHBondContact O-CG2 3.47Å; T732-T777 PolarHBondContact O-OG1 2.98Å; I735-T777 HydrophobicContact CB-CG2 4.15Å; I735-T777 HydrophobicContact CG2-CG2 3.89Å; G736-T777 WeakPolarHBondContact CA-OG1 3.43Å; L757-T777 HydrophobicContact CD1-CG2 3.84Å; N773-T777 WeakPolarHBondContact O-CB 3.41Å; N773-T777 PolarHBondContact O-N 3Å; N773-T777 PolarHBondContact O-OG1 2.98Å; T774-T777 PolarHBondContact O-N 2.95Å; A775-T777 PolarHBondContact O-N 3.33Å; T777-G779 VanDerWaalsContact C-N 3.29Å; T777-G779 PolarHBondContact O-N 3.18Å; T777-R780 PolarHBondContact O-N 3.04Å; T777-L781 HydrophobicContact CG2-CD1 4.08Å; T777-L781 HydrophobicContact CG2-CG 4.42Å; T777-L781 WeakPolarHBondContact O-CB 3.46Å; T777-L781 WeakPolarHBondContact O-CG 3.37Å; T777-L781 PolarHBondContact O-N 3.4Å |
| 778 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.9 | -69.1 | 171 | 0 | 0 | 0 | 110.6 | L757 V758 I761 T774 A775 L781 G782 V789 F796 | L757-I778 HydrophobicContact CB-CD1 3.97Å; L757-I778 HydrophobicContact CB-CG1 3.81Å; L757-I778 HydrophobicContact CD1-CG1 4.31Å; V758-I778 HydrophobicContact CG2-CD1 4.3Å; I761-I778 HydrophobicContact CB-CD1 4.42Å; I761-I778 HydrophobicContact CD1-CD1 4.1Å; I761-I778 HydrophobicContact CG2-CD1 4.15Å; T774-I778 HydrophobicContact CG2-CD1 4.01Å; T774-I778 VanDerWaalsContact O-CG1 3.32Å; T774-I778 WeakPolarHBondContact O-CG1 3.31Å; T774-I778 PolarHBondContact O-N 3.48Å; A775-I778 PolarHBondContact O-N 3.36Å; I778-L781 PolarHBondContact O-N 2.86Å; I778-G782 PolarHBondContact O-N 3.42Å; I778-V789 HydrophobicContact CG2-CG1 4.27Å; I778-F796 HydrophobicContact CG2-CD1 4.19Å; I778-F796 HydrophobicContact CG2-CD2 3.87Å; I778-F796 HydrophobicContact CG2-CE1 3.85Å; I778-F796 HydrophobicContact CG2-CE2 3.52Å; I778-F796 HydrophobicContact CG2-CG 4.2Å; I778-F796 HydrophobicContact CG2-CZ 3.5Å |
| 779 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57 | -52.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A775 I776 T777 L781 G782 Y783 G819 | A775-G779 PolarHBondContact O-N 3.14Å; I776-G779 WeakPolarHBondContact O-CA 3.49Å; I776-G779 PolarHBondContact O-N 2.97Å; I776-G779 VanDerWaalsContact O-N 3.15Å; T777-G779 VanDerWaalsContact C-N 3.29Å; T777-G779 PolarHBondContact O-N 3.18Å; G779-L781 PolarHBondContact O-N 2.94Å; G779-G782 CarbonylContact O-C 3.59Å; G779-G782 PolarHBondContact O-N 3.09Å; G779-G782 VanDerWaalsContact O-N 3.17Å; G779-Y783 PolarHBondContact O-N 2.88Å; G779-G819 VanDerWaalsContact O-CA 3.24Å; G779-G819 WeakPolarHBondContact O-CA 3.4Å |
| 780 | R | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 179.9 | -69.1 | 176.3 | 163.5 | 179.9 | -14.7 | 113.1 | G736 E737 I740 I776 T777 G782 Y783 V784 S815 | G736-R780 WeakPolarHBondContact O-CD 3.21Å; E737-R780 IonicContact OE1-CZ 3.36Å; E737-R780 IonicContact OE1-NH1 2.65Å; E737-R780 PolarHBondContact OE1-NH1 3.05Å; E737-R780 IonicContact OE1-NH2 2.7Å; E737-R780 PolarHBondContact OE1-NH2 3.18Å; E737-R780 IonicContact OE2-NH1 3.64Å; E737-R780 IonicContact OE2-NH2 3.14Å; I740-R780 HydrophobicContact CD1-CB 3.96Å; I740-R780 HydrophobicContact CD1-CG 3.87Å; I740-R780 HydrophobicContact CG1-CB 4.15Å; I740-R780 HydrophobicContact CG1-CG 3.95Å; I776-R780 HydrophobicContact CG2-CG 4.35Å; I776-R780 WeakPolarHBondContact O-CG 3.42Å; I776-R780 PolarHBondContact O-N 3.3Å; T777-R780 PolarHBondContact O-N 3.04Å; R780-G782 VanDerWaalsContact C-N 3.33Å; R780-G782 PolarHBondContact O-N 3.45Å; R780-Y783 WeakPolarHBondContact O-CB 3.32Å; R780-Y783 PolarHBondContact O-N 3.1Å; R780-V784 PolarHBondContact O-N 3.36Å; R780-V784 VanDerWaalsContact O-N 3.16Å; R780-S815 PolarHBondContact NE-OG 2.9Å |
| 781 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 173 | -73.6 | 169.6 | 0 | 0 | 0 | 111.3 | S739 M746 I750 V753 L757 T777 I778 G779 Y783 V784 C785 V789 | S739-L781 WeakPolarHBondContact OG-CD2 3.48Å; M746-L781 HydrophobicContact CE-CD2 3.92Å; M746-L781 HydrophobicContact CG-CD2 4.04Å; I750-L781 HydrophobicContact CG1-CD2 4.32Å; V753-L781 HydrophobicContact CG2-CD1 4.06Å; L757-L781 HydrophobicContact CD1-CD1 3.59Å; T777-L781 HydrophobicContact CG2-CD1 4.08Å; T777-L781 HydrophobicContact CG2-CG 4.42Å; T777-L781 WeakPolarHBondContact O-CB 3.46Å; T777-L781 WeakPolarHBondContact O-CG 3.37Å; T777-L781 PolarHBondContact O-N 3.4Å; I778-L781 PolarHBondContact O-N 2.86Å; G779-L781 PolarHBondContact O-N 2.94Å; L781-Y783 VanDerWaalsContact C-N 3.28Å; L781-Y783 PolarHBondContact O-N 3.47Å; L781-V784 WeakPolarHBondContact O-CG2 3.44Å; L781-V784 PolarHBondContact O-N 3.39Å; L781-C785 PolarHBondContact O-N 3.41Å; L781-V789 HydrophobicContact CB-CG2 4.09Å |
| 782 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -26.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I778 G779 R780 P786 | I778-G782 PolarHBondContact O-N 3.42Å; G779-G782 CarbonylContact O-C 3.59Å; G779-G782 PolarHBondContact O-N 3.09Å; G779-G782 VanDerWaalsContact O-N 3.17Å; R780-G782 VanDerWaalsContact C-N 3.33Å; R780-G782 PolarHBondContact O-N 3.45Å; G782-P786 WeakPolarHBondContact O-CA 3.4Å; G782-P786 VanDerWaalsContact O-CB 3.27Å; G782-P786 WeakPolarHBondContact O-CB 3.39Å |
| 783 | Y | 98.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 24.4 Ų | 24.4 | 40% | 0.396 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 173.7 | -175.5 | -135.9 | 0 | 0 | 0 | 111.5 | I740 G779 R780 L781 R818 G819 | I740-Y783 HydrophobicContact CD1-CD1 3.91Å; G779-Y783 PolarHBondContact O-N 2.88Å; R780-Y783 WeakPolarHBondContact O-CB 3.32Å; R780-Y783 PolarHBondContact O-N 3.1Å; L781-Y783 VanDerWaalsContact C-N 3.28Å; L781-Y783 PolarHBondContact O-N 3.47Å; Y783-R818 HydrophobicContact CD2-CB 3.85Å; Y783-R818 HydrophobicContact CE2-CB 3.8Å; Y783-R818 HydrophobicContact CG-CB 4.35Å; Y783-G819 VanDerWaalsContact CB-CA 3.49Å |
| 784 | V | 98.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85 | -28.3 | -175.1 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | S739 I740 M746 R780 L781 | S739-V784 WeakPolarHBondContact O-CG1 3.34Å; I740-V784 HydrophobicContact CD1-CG1 4.4Å; M746-V784 HydrophobicContact CB-CG2 4.19Å; R780-V784 PolarHBondContact O-N 3.36Å; R780-V784 VanDerWaalsContact O-N 3.16Å; L781-V784 WeakPolarHBondContact O-CG2 3.44Å; L781-V784 PolarHBondContact O-N 3.39Å |
| 785 | C | 98 | Very high | 98 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.081 | 17% | 0.17 | C | C | . | . | trans | -138.6 | 64.9 | -178 | -72.1 | 0 | 0 | 0 | 0 | 111.8 | I750 L781 Q787 E788 V789 | I750-C785 HydrophobicContact CD1-CB 3.08Å; L781-C785 PolarHBondContact O-N 3.41Å; C785-Q787 PolarHBondContact O-N 2.74Å; C785-Q787 VanDerWaalsContact O-N 3.16Å; C785-E788 HydrophobicContact CB-CG 4.44Å; C785-E788 PolarHBondContact O-N 3.34Å; C785-E788 VanDerWaalsContact O-N 3.15Å; C785-V789 PolarHBondContact O-N 3.43Å | ||
| 786 | P | 97.8 | Very high | 98 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -28.2 | -171.7 | 24.6 | -35.6 | 0 | 0 | 0 | 113.8 | G782 E788 A790 T822 V826 | G782-P786 WeakPolarHBondContact O-CA 3.4Å; G782-P786 VanDerWaalsContact O-CB 3.27Å; G782-P786 WeakPolarHBondContact O-CB 3.39Å; P786-E788 VanDerWaalsContact C-N 3.28Å; P786-E788 PolarHBondContact O-N 3.16Å; P786-A790 WeakPolarHBondContact O-CB 3.35Å; P786-A790 PolarHBondContact O-N 3.01Å; P786-T822 HydrophobicContact CB-CG2 3.81Å; P786-T822 HydrophobicContact CG-CG2 3.88Å; P786-V826 HydrophobicContact CB-CG2 4.02Å; P786-V826 HydrophobicContact CG-CG2 4.48Å |
| 787 | Q | 97.7 | Very high | 98 | Very high | 131 Ų | 131 | 34.5 Ų | 34.5 | 61% | 0.612 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -66.9 | -29.9 | 180 | -60.4 | -58.3 | -40.1 | 0 | 0 | 112.8 | C785 P791 | C785-Q787 PolarHBondContact O-N 2.74Å; C785-Q787 VanDerWaalsContact O-N 3.16Å; Q787-P791 WeakPolarHBondContact O-CD 3.38Å; Q787-P791 WeakPolarHBondContact O-CG 3.48Å |
| 788 | E | 97.8 | Very high | 97.9 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -84.9 | -35.9 | -178.8 | -57.2 | -65.2 | 174 | 0 | 0 | 111.5 | Q747 I750 C785 P786 | Q747-E788 HydrophobicContact CG-CG 4.13Å; Q747-E788 PolarHBondContact NE2-OE1 2.97Å; I750-E788 HydrophobicContact CD1-CB 3.97Å; I750-E788 HydrophobicContact CD1-CG 4.12Å; I750-E788 HydrophobicContact CG2-CB 4.02Å; C785-E788 HydrophobicContact CB-CG 4.44Å; C785-E788 PolarHBondContact O-N 3.34Å; C785-E788 VanDerWaalsContact O-N 3.15Å; P786-E788 VanDerWaalsContact C-N 3.28Å; P786-E788 PolarHBondContact O-N 3.16Å |
| 789 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -93.8 | -38.3 | -172.6 | -169.8 | 0 | 0 | 0 | 0 | 113 | I750 L754 I778 L781 C785 P791 M792 F796 M823 | I750-V789 HydrophobicContact CG2-CG2 4.24Å; L754-V789 HydrophobicContact CD1-CG1 3.84Å; L754-V789 HydrophobicContact CD1-CG2 4.49Å; L754-V789 HydrophobicContact CD2-CB 4.41Å; L754-V789 HydrophobicContact CD2-CG1 4.32Å; L754-V789 HydrophobicContact CD2-CG2 4.21Å; I778-V789 HydrophobicContact CG2-CG1 4.27Å; L781-V789 HydrophobicContact CB-CG2 4.09Å; C785-V789 PolarHBondContact O-N 3.43Å; V789-P791 VanDerWaalsContact C-N 3.29Å; V789-P791 VanDerWaalsContact O-N 3.14Å; V789-M792 PolarHBondContact O-N 3.38Å; V789-F796 HydrophobicContact CG1-CE1 4.32Å; V789-F796 HydrophobicContact CG1-CZ 4.34Å; V789-M823 HydrophobicContact CB-SD 3.71Å; V789-M823 HydrophobicContact CG1-CE 4.38Å; V789-M823 HydrophobicContact CG1-SD 3.4Å; V789-M823 WeakPolarHBondContact CG1-SD 3.3Å |
| 790 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -56.3 | -29.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P786 M792 L793 M823 V826 N827 | P786-A790 WeakPolarHBondContact O-CB 3.35Å; P786-A790 PolarHBondContact O-N 3.01Å; A790-M792 PolarHBondContact O-N 3.21Å; A790-L793 VanDerWaalsContact O-CB 3.24Å; A790-L793 WeakPolarHBondContact O-CB 3.39Å; A790-L793 PolarHBondContact O-N 2.82Å; A790-M823 HydrophobicContact CB-CB 3.92Å; A790-M823 HydrophobicContact CB-CG 4.05Å; A790-V826 HydrophobicContact CB-CB 4.08Å; A790-V826 HydrophobicContact CB-CG1 3.98Å; A790-N827 HydrophobicContact CB-CB 4Å; A790-N827 PolarHBondContact O-ND2 3.32Å |
| 791 | P | 97.9 | Very high | 97.7 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 58% | 0.578 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -58.3 | -26.4 | 172.4 | -27.4 | 37 | 0 | 0 | 0 | 114.3 | Q787 V789 | Q787-P791 WeakPolarHBondContact O-CD 3.38Å; Q787-P791 WeakPolarHBondContact O-CG 3.48Å; V789-P791 VanDerWaalsContact C-N 3.29Å; V789-P791 VanDerWaalsContact O-N 3.14Å |
| 792 | M | 97.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -92.7 | 1.7 | 179.9 | -62.5 | -172 | 75.5 | 0 | 0 | 113.7 | L754 V758 V789 A790 Q794 Q795 F796 | L754-M792 HydrophobicContact CD2-CG 4.47Å; L754-M792 HydrophobicContact CD2-SD 3.58Å; L754-M792 VanDerWaalsContact CD2-SD 3.58Å; L754-M792 HydrophobicContact CG-SD 3.71Å; V758-M792 HydrophobicContact CB-CE 3.92Å; V758-M792 HydrophobicContact CG1-CE 3.89Å; V758-M792 HydrophobicContact CG2-CE 3.78Å; V758-M792 HydrophobicContact CG2-SD 4.34Å; V789-M792 PolarHBondContact O-N 3.38Å; A790-M792 PolarHBondContact O-N 3.21Å; M792-Q794 VanDerWaalsContact C-N 3.28Å; M792-Q794 PolarHBondContact O-N 2.65Å; M792-Q794 VanDerWaalsContact O-N 3.12Å; M792-Q795 VanDerWaalsContact CE-OE1 3.29Å; M792-Q795 WeakPolarHBondContact O-CB 3.43Å; M792-Q795 PolarHBondContact O-N 3.05Å; M792-F796 HydrophobicContact CB-CD1 4.31Å; M792-F796 HydrophobicContact CB-CE1 4.13Å; M792-F796 VanDerWaalsContact O-CD1 3.22Å; M792-F796 WeakPolarHBondContact O-CD1 3.07Å; M792-F796 WeakPolarHBondContact O-CE1 3.16Å |
| 793 | L | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -50.9 | -43.6 | -171.9 | -172.5 | 63.7 | 0 | 0 | 0 | 113.7 | A790 Q795 F796 I797 I820 M823 I824 V831 | A790-L793 VanDerWaalsContact O-CB 3.24Å; A790-L793 WeakPolarHBondContact O-CB 3.39Å; A790-L793 PolarHBondContact O-N 2.82Å; L793-Q795 PolarHBondContact O-N 3.24Å; L793-F796 HydrophobicContact CD1-CE2 3.91Å; L793-F796 HydrophobicContact CD1-CZ 3.76Å; L793-F796 PolarHBondContact O-N 3.48Å; L793-I797 HydrophobicContact CD1-CB 4.48Å; L793-I797 HydrophobicContact CD1-CD1 4.24Å; L793-I797 VanDerWaalsContact O-CB 3.26Å; L793-I797 WeakPolarHBondContact O-CB 3.49Å; L793-I797 WeakPolarHBondContact O-CG2 3.4Å; L793-I797 PolarHBondContact O-N 3.1Å; L793-I820 HydrophobicContact CD1-CD1 3.49Å; L793-I820 VanDerWaalsContact CD1-CD1 3.49Å; L793-I820 HydrophobicContact CD1-CG1 4.42Å; L793-M823 HydrophobicContact CD1-CB 4.33Å; L793-I824 HydrophobicContact CD2-CG1 3.87Å; L793-V831 HydrophobicContact CD2-CB 4.36Å |
| 794 | Q | 96.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 49% | 0.486 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.6 | -24.8 | 179.5 | -168.4 | 179.8 | 7.8 | 0 | 0 | 113.3 | M792 G830 | M792-Q794 VanDerWaalsContact C-N 3.28Å; M792-Q794 PolarHBondContact O-N 2.65Å; M792-Q794 VanDerWaalsContact O-N 3.12Å; Q794-G830 VanDerWaalsContact CA-O 3.28Å; Q794-G830 WeakPolarHBondContact CA-O 3.26Å |
| 795 | Q | 97.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -81 | -21.8 | -175.7 | -57.5 | -178.3 | 21.6 | 0 | 0 | 113.2 | V758 N762 M792 L793 | V758-Q795 HydrophobicContact CG1-CB 3.93Å; N762-Q795 PolarHBondContact ND2-O 3.37Å; N762-Q795 PolarHBondContact OD1-O 3.03Å; M792-Q795 VanDerWaalsContact CE-OE1 3.29Å; M792-Q795 WeakPolarHBondContact O-CB 3.43Å; M792-Q795 PolarHBondContact O-N 3.05Å; L793-Q795 PolarHBondContact O-N 3.24Å |
| 796 | F | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -128.3 | -12.9 | -174.9 | 66.9 | -103.1 | 0 | 0 | 0 | 114.4 | V758 I761 I778 V789 M792 L793 R798 P799 W800 I820 M823 | V758-F796 HydrophobicContact CG2-CD1 3.94Å; I761-F796 HydrophobicContact CG2-CB 3.82Å; I778-F796 HydrophobicContact CG2-CD1 4.19Å; I778-F796 HydrophobicContact CG2-CD2 3.87Å; I778-F796 HydrophobicContact CG2-CE1 3.85Å; I778-F796 HydrophobicContact CG2-CE2 3.52Å; I778-F796 HydrophobicContact CG2-CG 4.2Å; I778-F796 HydrophobicContact CG2-CZ 3.5Å; V789-F796 HydrophobicContact CG1-CE1 4.32Å; V789-F796 HydrophobicContact CG1-CZ 4.34Å; M792-F796 HydrophobicContact CB-CD1 4.31Å; M792-F796 HydrophobicContact CB-CE1 4.13Å; M792-F796 VanDerWaalsContact O-CD1 3.22Å; M792-F796 WeakPolarHBondContact O-CD1 3.07Å; M792-F796 WeakPolarHBondContact O-CE1 3.16Å; L793-F796 HydrophobicContact CD1-CE2 3.91Å; L793-F796 HydrophobicContact CD1-CZ 3.76Å; L793-F796 PolarHBondContact O-N 3.48Å; F796-R798 PolarHBondContact O-N 3.27Å; F796-R798 VanDerWaalsContact O-N 3.12Å; F796-P799 WeakPolarHBondContact O-CD 3.47Å; F796-P799 VanDerWaalsContact O-CG 3.3Å; F796-P799 WeakPolarHBondContact O-CG 3.43Å; F796-W800 HydrophobicContact CD2-CB 4.01Å; F796-W800 HydrophobicContact CD2-CG 4.22Å; F796-W800 WeakPolarHBondContact O-CB 3.43Å; F796-W800 PolarHBondContact O-N 3.12Å; F796-I820 HydrophobicContact CE2-CD1 3.83Å; F796-M823 HydrophobicContact CE2-CE 4.27Å; F796-M823 HydrophobicContact CZ-CE 3.93Å; F796-M823 HydrophobicContact CZ-SD 3.99Å |
| 797 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -36.4 | -173 | -173.3 | 61.6 | 0 | 0 | 0 | 113.2 | L793 W800 C801 I820 V831 D834 | L793-I797 HydrophobicContact CD1-CB 4.48Å; L793-I797 HydrophobicContact CD1-CD1 4.24Å; L793-I797 VanDerWaalsContact O-CB 3.26Å; L793-I797 WeakPolarHBondContact O-CB 3.49Å; L793-I797 WeakPolarHBondContact O-CG2 3.4Å; L793-I797 PolarHBondContact O-N 3.1Å; I797-W800 HydrophobicContact CD1-CE3 4.44Å; I797-C801 WeakPolarHBondContact O-CB 3.5Å; I797-C801 PolarHBondContact O-N 3.49Å; I797-C801 PolarHBondContact O-SG 3.08Å; I797-I820 HydrophobicContact CD1-CD1 3.71Å; I797-I820 HydrophobicContact CD1-CG1 3.72Å; I797-V831 HydrophobicContact CD1-CG2 4.38Å; I797-V831 HydrophobicContact CG1-CG2 3.89Å; I797-D834 HydrophobicContact CG2-CB 4.04Å |
| 798 | R | 96.8 | Very high | 95.2 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 54% | 0.543 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.5 | -56.6 | -178.9 | -177.6 | 173.9 | 177.3 | -170.6 | -1.3 | 113.3 | F796 W800 C801 T802 F837 | F796-R798 PolarHBondContact O-N 3.27Å; F796-R798 VanDerWaalsContact O-N 3.12Å; R798-W800 VanDerWaalsContact C-N 3.29Å; R798-W800 PolarHBondContact O-N 3.35Å; R798-C801 PolarHBondContact O-N 3.07Å; R798-T802 PolarHBondContact O-N 2.99Å; R798-T802 VanDerWaalsContact O-N 3.12Å; R798-T802 PolarHBondContact O-OG1 2.89Å; R798-F837 HydrophobicContact CG-CD1 4.06Å; R798-F837 HydrophobicContact CG-CD2 4.04Å; R798-F837 HydrophobicContact CG-CE1 3.88Å; R798-F837 HydrophobicContact CG-CE2 3.85Å; R798-F837 HydrophobicContact CG-CG 4.15Å; R798-F837 HydrophobicContact CG-CZ 3.79Å |
| 799 | P | 97 | Very high | 94.8 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -34.6 | 174.9 | 27.1 | -36.2 | 0 | 0 | 0 | 111.8 | I761 F796 C801 T802 S803 | I761-P799 HydrophobicContact CG1-CB 4.03Å; I761-P799 HydrophobicContact CG1-CG 4.1Å; I761-P799 HydrophobicContact CG2-CG 4.29Å; I761-P799 VanDerWaalsContact O-CB 3.24Å; I761-P799 WeakPolarHBondContact O-CB 3.39Å; F796-P799 WeakPolarHBondContact O-CD 3.47Å; F796-P799 VanDerWaalsContact O-CG 3.3Å; F796-P799 WeakPolarHBondContact O-CG 3.43Å; P799-C801 PolarHBondContact O-N 3.34Å; P799-T802 PolarHBondContact O-N 3.26Å; P799-T802 VanDerWaalsContact O-N 3.15Å; P799-S803 PolarHBondContact O-N 3.47Å; P799-S803 PolarHBondContact O-OG 3.45Å |
| 800 | W | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 175.1 | -173.3 | 98.5 | 0 | 0 | 0 | 113 | I761 A775 F796 I797 R798 L804 A816 F817 I820 | I761-W800 HydrophobicContact CD1-CB 3.94Å; A775-W800 HydrophobicContact CB-CG 4.06Å; A775-W800 VanDerWaalsContact O-CD1 3.3Å; A775-W800 PolarHBondContact O-NE1 3.21Å; F796-W800 HydrophobicContact CD2-CB 4.01Å; F796-W800 HydrophobicContact CD2-CG 4.22Å; F796-W800 WeakPolarHBondContact O-CB 3.43Å; F796-W800 PolarHBondContact O-N 3.12Å; I797-W800 HydrophobicContact CD1-CE3 4.44Å; R798-W800 VanDerWaalsContact C-N 3.29Å; R798-W800 PolarHBondContact O-N 3.35Å; W800-L804 HydrophobicContact CD2-CD1 4.09Å; W800-L804 VanDerWaalsContact CE2-CD1 3.5Å; W800-L804 HydrophobicContact CH2-CD1 3.85Å; W800-L804 HydrophobicContact CZ2-CD1 3.39Å; W800-L804 HydrophobicContact CZ3-CD1 4.39Å; W800-L804 PolarHBondContact O-N 2.75Å; W800-L804 VanDerWaalsContact O-N 3.08Å; W800-A816 HydrophobicContact CZ2-CB 4.08Å; W800-F817 AromaticContact CH2-CD1 3.94Å; W800-F817 HydrophobicContact CH2-CD1 3.94Å; W800-F817 AromaticContact CH2-CD2 3.73Å; W800-F817 HydrophobicContact CH2-CD2 3.73Å; W800-F817 HydrophobicContact CH2-CE1 4.05Å; W800-F817 AromaticContact CH2-CE2 3.85Å; W800-F817 HydrophobicContact CH2-CE2 3.85Å; W800-F817 AromaticContact CH2-CG 3.81Å; W800-F817 HydrophobicContact CH2-CG 3.81Å; W800-F817 HydrophobicContact CH2-CZ 4.03Å; W800-F817 HydrophobicContact CZ2-CD2 4.48Å; W800-F817 HydrophobicContact CZ3-CD1 4.32Å; W800-F817 HydrophobicContact CZ3-CE1 4.05Å; W800-F817 HydrophobicContact CZ3-CE2 4.28Å; W800-F817 HydrophobicContact CZ3-CZ 4.05Å; W800-I820 HydrophobicContact CD2-CD1 4.15Å; W800-I820 HydrophobicContact CD2-CG1 4.4Å; W800-I820 HydrophobicContact CE3-CD1 4.32Å; W800-I820 HydrophobicContact CE3-CG1 4.11Å; W800-I820 HydrophobicContact CH2-CB 3.65Å; W800-I820 HydrophobicContact CH2-CG1 4.01Å; W800-I820 HydrophobicContact CH2-CG2 3.58Å; W800-I820 HydrophobicContact CZ2-CB 3.82Å; W800-I820 HydrophobicContact CZ2-CD1 4.41Å; W800-I820 HydrophobicContact CZ2-CG1 4.23Å; W800-I820 HydrophobicContact CZ2-CG2 4.25Å; W800-I820 HydrophobicContact CZ3-CB 4.08Å; W800-I820 HydrophobicContact CZ3-CG1 3.94Å; W800-I820 HydrophobicContact CZ3-CG2 3.93Å |
| 801 | C | 97.6 | Very high | 94 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.8 | -75.9 | 0 | 0 | 0 | 0 | 112 | I797 R798 P799 R805 F837 A841 | I797-C801 WeakPolarHBondContact O-CB 3.5Å; I797-C801 PolarHBondContact O-N 3.49Å; I797-C801 PolarHBondContact O-SG 3.08Å; R798-C801 PolarHBondContact O-N 3.07Å; P799-C801 PolarHBondContact O-N 3.34Å; C801-R805 WeakPolarHBondContact O-CB 3.5Å; C801-R805 VanDerWaalsContact O-CG 3.3Å; C801-R805 WeakPolarHBondContact O-CG 3.3Å; C801-R805 PolarHBondContact O-N 2.91Å; C801-F837 HydrophobicContact CB-CB 3.67Å; C801-F837 WeakPolarHBondContact CB-O 3.37Å; C801-F837 VanDerWaalsContact SG-C 3.6Å; C801-A841 HydrophobicContact CB-CB 3.94Å |
| 802 | T | 94.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 112 | R798 P799 R805 | R798-T802 PolarHBondContact O-N 2.99Å; R798-T802 VanDerWaalsContact O-N 3.12Å; R798-T802 PolarHBondContact O-OG1 2.89Å; P799-T802 PolarHBondContact O-N 3.26Å; P799-T802 VanDerWaalsContact O-N 3.15Å; T802-R805 WeakPolarHBondContact O-CG 3.47Å |
| 803 | S | 94.3 | Very high | 93.7 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.9 | -52.4 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | P799 R805 N806 | P799-S803 PolarHBondContact O-N 3.47Å; P799-S803 PolarHBondContact O-OG 3.45Å; S803-R805 VanDerWaalsContact C-N 3.3Å; S803-R805 PolarHBondContact O-N 2.83Å; S803-N806 PolarHBondContact O-N 2.6Å |
| 804 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -80.1 | -3.8 | -171.3 | -58.9 | -172.2 | 0 | 0 | 0 | 115.3 | E772 A775 I776 W800 N806 I807 K813 A816 F817 | E772-L804 HydrophobicContact CB-CD2 4.45Å; A775-L804 HydrophobicContact CB-CD1 3.93Å; A775-L804 HydrophobicContact CB-CD2 3.84Å; A775-L804 HydrophobicContact CB-CG 3.69Å; I776-L804 HydrophobicContact CD1-CD2 4.29Å; I776-L804 HydrophobicContact CG1-CD1 4.37Å; I776-L804 HydrophobicContact CG1-CD2 3.8Å; W800-L804 HydrophobicContact CD2-CD1 4.09Å; W800-L804 VanDerWaalsContact CE2-CD1 3.5Å; W800-L804 HydrophobicContact CH2-CD1 3.85Å; W800-L804 HydrophobicContact CZ2-CD1 3.39Å; W800-L804 HydrophobicContact CZ3-CD1 4.39Å; W800-L804 PolarHBondContact O-N 2.75Å; W800-L804 VanDerWaalsContact O-N 3.08Å; L804-N806 VanDerWaalsContact C-N 3.26Å; L804-N806 PolarHBondContact O-N 2.92Å; L804-I807 HydrophobicContact CB-CD1 4.38Å; L804-I807 HydrophobicContact CB-CG1 4.34Å; L804-I807 HydrophobicContact CD2-CD1 3.67Å; L804-I807 HydrophobicContact CD2-CG1 4.25Å; L804-I807 WeakPolarHBondContact O-CG1 3.27Å; L804-K813 WeakPolarHBondContact O-CE 3.29Å; L804-A816 HydrophobicContact CD1-CB 3.96Å; L804-F817 HydrophobicContact CB-CE2 4Å; L804-F817 HydrophobicContact CB-CZ 4.5Å; L804-F817 HydrophobicContact CD1-CE2 4.37Å |
| 805 | R | 91.4 | Very high | 93.7 | Very high | 104 Ų | 104 | 44 Ų | 44 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.5 | 172.8 | 55.4 | 167.6 | -91.5 | 175.3 | -11.1 | 112.9 | C801 T802 S803 D840 S844 | C801-R805 WeakPolarHBondContact O-CB 3.5Å; C801-R805 VanDerWaalsContact O-CG 3.3Å; C801-R805 WeakPolarHBondContact O-CG 3.3Å; C801-R805 PolarHBondContact O-N 2.91Å; T802-R805 WeakPolarHBondContact O-CG 3.47Å; S803-R805 VanDerWaalsContact C-N 3.3Å; S803-R805 PolarHBondContact O-N 2.83Å; R805-D840 WeakPolarHBondContact CD-OD2 3.26Å; R805-D840 IonicContact CZ-OD2 3.73Å; R805-D840 IonicContact NE-OD2 3.31Å; R805-D840 IonicContact NH1-OD1 3.28Å; R805-D840 IonicContact NH1-OD2 2.64Å; R805-D840 PolarHBondContact NH1-OD2 3.34Å; R805-S844 WeakPolarHBondContact O-CB 3.42Å; R805-S844 PolarHBondContact O-OG 2.76Å |
| 806 | N | 83.5 | Confident | 93.8 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -101 | -0 | -172.6 | -59.3 | -26.7 | 0 | 0 | 0 | 113.6 | H349 S803 L804 | H349-N806 PolarHBondContact ND1-O 3.4Å; S803-N806 PolarHBondContact O-N 2.6Å; L804-N806 VanDerWaalsContact C-N 3.26Å; L804-N806 PolarHBondContact O-N 2.92Å |
| 807 | I | 87.1 | Confident | 93.8 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -88.2 | 145.9 | 177.3 | 63.7 | 160.7 | 0 | 0 | 0 | 111.5 | Q347 E772 I776 L804 K813 | Q347-I807 HydrophobicContact CB-CG2 4.04Å; Q347-I807 HydrophobicContact CG-CG2 4.41Å; E772-I807 HydrophobicContact CB-CG2 4.48Å; E772-I807 VanDerWaalsContact CD-CG2 3.48Å; E772-I807 HydrophobicContact CG-CG2 3.98Å; I776-I807 HydrophobicContact CD1-CD1 4.33Å; L804-I807 HydrophobicContact CB-CD1 4.38Å; L804-I807 HydrophobicContact CB-CG1 4.34Å; L804-I807 HydrophobicContact CD2-CD1 3.67Å; L804-I807 HydrophobicContact CD2-CG1 4.25Å; L804-I807 WeakPolarHBondContact O-CG1 3.27Å; I807-K813 HydrophobicContact CD1-CB 3.62Å; I807-K813 HydrophobicContact CD1-CD 4.1Å; I807-K813 HydrophobicContact CD1-CG 3.62Å; I807-K813 HydrophobicContact CG1-CB 4.32Å; I807-K813 HydrophobicContact CG1-CD 3.86Å; I807-K813 HydrophobicContact CG1-CG 3.92Å; I807-K813 PolarHBondContact O-NZ 2.91Å |
| 808 | R | 86.6 | Confident | 93.8 | Very high | 105 Ų | 105 | 40.1 Ų | 40.1 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | trans | -59.7 | 152.5 | 175.7 | -74.7 | -177.2 | -171.1 | 176.3 | 0.9 | 111.9 | Q348 H349 E350 N810 K813 | Q348-R808 HydrophobicContact CB-CG 4.43Å; Q348-R808 WeakPolarHBondContact O-CG 3.46Å; Q348-R808 PolarHBondContact O-N 3.09Å; Q348-R808 VanDerWaalsContact OE1-NH1 3.16Å; H349-R808 PolarHBondContact O-NE 3.36Å; H349-R808 PolarHBondContact O-NH2 3.02Å; E350-R808 HydrophobicContact CB-CG 3.86Å; E350-R808 HydrophobicContact CG-CG 3.98Å; R808-N810 PolarHBondContact O-N 3.21Å; R808-K813 WeakPolarHBondContact O-CD 3.45Å | ||
| 809 | D | 89.3 | Confident | 93.9 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -68.4 | 99.1 | 174 | -71.6 | -3.8 | 0 | 0 | 0 | 110.3 | K813 W845 V846 N847 | D809-K813 IonicContact OD1-NZ 3.54Å; D809-K813 PolarHBondContact OD1-NZ 3.33Å; D809-W845 HydrophobicContact CB-CE3 4Å; D809-W845 HydrophobicContact CB-CZ3 3.9Å; D809-V846 PolarHBondContact OD2-N 3.18Å; D809-N847 PolarHBondContact OD2-N 2.82Å |
| 810 | N | 89.4 | Confident | 93.9 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 24% | 0.241 | 15% | 0.152 | C | C | . | . | trans | -132.2 | 179.4 | 178.7 | 68.3 | 8.7 | 0 | 0 | 0 | 111.8 | Q347 R808 E812 K813 D814 | Q347-N810 PolarHBondContact OE1-ND2 3.48Å; R808-N810 PolarHBondContact O-N 3.21Å; N810-E812 VanDerWaalsContact C-N 3.26Å; N810-E812 PolarHBondContact ND2-OE2 3.49Å; N810-E812 VanDerWaalsContact ND2-OE2 3.11Å; N810-E812 PolarHBondContact O-N 3.28Å; N810-E812 PolarHBondContact OD1-N 2.95Å; N810-K813 WeakPolarHBondContact OD1-CB 3.13Å; N810-K813 PolarHBondContact OD1-N 3.29Å; N810-D814 WeakPolarHBondContact O-CB 3.42Å; N810-D814 PolarHBondContact O-N 2.87Å | ||
| 811 | E | 90.4 | Very high | 93.9 | Very high | 125 Ų | 125 | 32 Ų | 32 | 58% | 0.584 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -64.6 | -29.6 | 179.5 | -67.7 | -65.2 | 153.6 | 0 | 0 | 112.7 | S815 K849 | E811-S815 WeakPolarHBondContact O-CB 3.46Å; E811-S815 PolarHBondContact O-N 3.31Å; E811-S815 PolarHBondContact O-OG 2.87Å; E811-K849 IonicContact OE1-NZ 3.29Å; E811-K849 PolarHBondContact OE1-NZ 3.48Å; E811-K849 IonicContact OE2-NZ 2.82Å; E811-K849 PolarHBondContact OE2-NZ 3.06Å |
| 812 | E | 93.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -50 | 178.9 | -67.8 | 157.5 | 151.3 | 0 | 0 | 110.7 | Q347 I776 N810 D814 S815 A816 | Q347-E812 VanDerWaalsContact CD-OE2 3.31Å; Q347-E812 VanDerWaalsContact NE2-CD 3.3Å; Q347-E812 PolarHBondContact NE2-OE2 2.89Å; Q347-E812 PolarHBondContact OE1-OE2 3.31Å; I776-E812 HydrophobicContact CD1-CB 4.13Å; I776-E812 HydrophobicContact CG2-CB 4.32Å; N810-E812 VanDerWaalsContact C-N 3.26Å; N810-E812 PolarHBondContact ND2-OE2 3.49Å; N810-E812 VanDerWaalsContact ND2-OE2 3.11Å; N810-E812 PolarHBondContact O-N 3.28Å; N810-E812 PolarHBondContact OD1-N 2.95Å; E812-D814 VanDerWaalsContact C-N 3.34Å; E812-D814 PolarHBondContact O-N 3.4Å; E812-S815 PolarHBondContact O-N 3.14Å; E812-S815 PolarHBondContact O-OG 3.04Å; E812-A816 WeakPolarHBondContact O-CB 3.24Å; E812-A816 PolarHBondContact O-N 2.93Å |
| 813 | K | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 171.3 | -162.3 | -174.9 | -172.4 | 174.9 | 0 | 110.8 | L804 I807 R808 D809 N810 S815 A816 F817 S844 W845 | L804-K813 WeakPolarHBondContact O-CE 3.29Å; I807-K813 HydrophobicContact CD1-CB 3.62Å; I807-K813 HydrophobicContact CD1-CD 4.1Å; I807-K813 HydrophobicContact CD1-CG 3.62Å; I807-K813 HydrophobicContact CG1-CB 4.32Å; I807-K813 HydrophobicContact CG1-CD 3.86Å; I807-K813 HydrophobicContact CG1-CG 3.92Å; I807-K813 PolarHBondContact O-NZ 2.91Å; R808-K813 WeakPolarHBondContact O-CD 3.45Å; D809-K813 IonicContact OD1-NZ 3.54Å; D809-K813 PolarHBondContact OD1-NZ 3.33Å; N810-K813 WeakPolarHBondContact OD1-CB 3.13Å; N810-K813 PolarHBondContact OD1-N 3.29Å; K813-S815 PolarHBondContact O-N 3.17Å; K813-A816 PolarHBondContact O-N 3.47Å; K813-F817 HydrophobicContact CD-CE2 4.36Å; K813-F817 HydrophobicContact CG-CD2 3.73Å; K813-F817 HydrophobicContact CG-CE2 3.63Å; K813-F817 VanDerWaalsContact O-CD2 3.26Å; K813-F817 WeakPolarHBondContact O-CD2 3.26Å; K813-F817 PolarHBondContact O-N 3.43Å; K813-S844 PolarHBondContact NZ-OG 3.31Å; K813-S844 VanDerWaalsContact NZ-OG 3.15Å; K813-W845 HydrophobicContact CB-CH2 4.01Å; K813-W845 HydrophobicContact CB-CZ2 3.96Å; K813-W845 HydrophobicContact CD-CD2 4.33Å; K813-W845 HydrophobicContact CD-CH2 4.02Å; K813-W845 HydrophobicContact CD-CZ2 3.69Å; K813-W845 HydrophobicContact CD-CZ3 4.48Å; K813-W845 HydrophobicContact CG-CH2 3.95Å; K813-W845 HydrophobicContact CG-CZ2 3.45Å; K813-W845 VanDerWaalsContact CG-CZ2 3.45Å |
| 814 | D | 97.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | 179.5 | 175.6 | 83.5 | 0 | 0 | 0 | 111 | N810 E812 A816 F817 R818 W845 L852 | N810-D814 WeakPolarHBondContact O-CB 3.42Å; N810-D814 PolarHBondContact O-N 2.87Å; E812-D814 VanDerWaalsContact C-N 3.34Å; E812-D814 PolarHBondContact O-N 3.4Å; D814-A816 PolarHBondContact O-N 3.09Å; D814-F817 PolarHBondContact O-N 2.9Å; D814-R818 VanDerWaalsContact O-CG 3.32Å; D814-R818 WeakPolarHBondContact O-CG 3.45Å; D814-R818 PolarHBondContact O-N 3.44Å; D814-R818 IonicContact OD1-CZ 3.67Å; D814-R818 IonicContact OD1-NE 3.38Å; D814-R818 PolarHBondContact OD1-NE 3.13Å; D814-R818 IonicContact OD1-NH2 3.1Å; D814-R818 PolarHBondContact OD1-NH2 3.5Å; D814-R818 IonicContact OD2-CZ 2.66Å; D814-R818 IonicContact OD2-NE 2.85Å; D814-R818 PolarHBondContact OD2-NE 3.47Å; D814-R818 IonicContact OD2-NH2 2.68Å; D814-R818 PolarHBondContact OD2-NH2 2.87Å; D814-W845 HydrophobicContact CB-CH2 3.87Å; D814-L852 WeakPolarHBondContact OD1-CD2 3.34Å |
| 815 | S | 97.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 179.2 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | R780 E811 E812 K813 R818 G819 | R780-S815 PolarHBondContact NE-OG 2.9Å; E811-S815 WeakPolarHBondContact O-CB 3.46Å; E811-S815 PolarHBondContact O-N 3.31Å; E811-S815 PolarHBondContact O-OG 2.87Å; E812-S815 PolarHBondContact O-N 3.14Å; E812-S815 PolarHBondContact O-OG 3.04Å; K813-S815 PolarHBondContact O-N 3.17Å; S815-R818 PolarHBondContact O-N 3.45Å; S815-G819 PolarHBondContact O-N 3.41Å |
| 816 | A | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I776 W800 L804 E812 K813 D814 G819 I820 | I776-A816 HydrophobicContact CB-CB 4.4Å; I776-A816 HydrophobicContact CG1-CB 4.29Å; I776-A816 HydrophobicContact CG2-CB 4.45Å; W800-A816 HydrophobicContact CZ2-CB 4.08Å; L804-A816 HydrophobicContact CD1-CB 3.96Å; E812-A816 WeakPolarHBondContact O-CB 3.24Å; E812-A816 PolarHBondContact O-N 2.93Å; K813-A816 PolarHBondContact O-N 3.47Å; D814-A816 PolarHBondContact O-N 3.09Å; A816-G819 WeakPolarHBondContact O-CA 3.29Å; A816-G819 PolarHBondContact O-N 2.87Å; A816-G819 VanDerWaalsContact O-N 3.14Å; A816-I820 PolarHBondContact O-N 2.92Å |
| 817 | F | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -30.9 | 178.9 | -86 | -100.1 | 0 | 0 | 0 | 112.9 | W800 L804 K813 D814 G819 I820 C821 A841 W845 L852 F856 | W800-F817 AromaticContact CH2-CD1 3.94Å; W800-F817 HydrophobicContact CH2-CD1 3.94Å; W800-F817 AromaticContact CH2-CD2 3.73Å; W800-F817 HydrophobicContact CH2-CD2 3.73Å; W800-F817 HydrophobicContact CH2-CE1 4.05Å; W800-F817 AromaticContact CH2-CE2 3.85Å; W800-F817 HydrophobicContact CH2-CE2 3.85Å; W800-F817 AromaticContact CH2-CG 3.81Å; W800-F817 HydrophobicContact CH2-CG 3.81Å; W800-F817 HydrophobicContact CH2-CZ 4.03Å; W800-F817 HydrophobicContact CZ2-CD2 4.48Å; W800-F817 HydrophobicContact CZ3-CD1 4.32Å; W800-F817 HydrophobicContact CZ3-CE1 4.05Å; W800-F817 HydrophobicContact CZ3-CE2 4.28Å; W800-F817 HydrophobicContact CZ3-CZ 4.05Å; L804-F817 HydrophobicContact CB-CE2 4Å; L804-F817 HydrophobicContact CB-CZ 4.5Å; L804-F817 HydrophobicContact CD1-CE2 4.37Å; K813-F817 HydrophobicContact CD-CE2 4.36Å; K813-F817 HydrophobicContact CG-CD2 3.73Å; K813-F817 HydrophobicContact CG-CE2 3.63Å; K813-F817 VanDerWaalsContact O-CD2 3.26Å; K813-F817 WeakPolarHBondContact O-CD2 3.26Å; K813-F817 PolarHBondContact O-N 3.43Å; D814-F817 PolarHBondContact O-N 2.9Å; F817-G819 PolarHBondContact O-N 2.75Å; F817-I820 HydrophobicContact CD1-CG2 4.26Å; F817-I820 WeakPolarHBondContact O-CG2 3.44Å; F817-I820 PolarHBondContact O-N 2.83Å; F817-C821 WeakPolarHBondContact O-CB 3.19Å; F817-C821 PolarHBondContact O-N 3.28Å; F817-C821 PolarHBondContact O-SG 2.88Å; F817-A841 HydrophobicContact CE1-CB 3.98Å; F817-A841 HydrophobicContact CZ-CB 3.9Å; F817-A841 WeakPolarHBondContact CZ-O 3.43Å; F817-W845 HydrophobicContact CB-CZ2 4.18Å; F817-W845 AromaticContact CD1-NE1 3.53Å; F817-W845 AromaticContact CD2-CZ2 3.88Å; F817-W845 HydrophobicContact CD2-CZ2 3.88Å; F817-W845 AromaticContact CD2-NE1 3.59Å; F817-W845 AromaticContact CE1-NE1 3.5Å; F817-W845 HydrophobicContact CE2-CZ2 4.44Å; F817-W845 AromaticContact CE2-NE1 3.55Å; F817-W845 HydrophobicContact CG-CZ2 4.07Å; F817-W845 AromaticContact CG-NE1 3.55Å; F817-W845 AromaticContact CZ-NE1 3.48Å; F817-L852 HydrophobicContact CB-CD1 4.15Å; F817-L852 HydrophobicContact CB-CD2 4.23Å; F817-F856 HydrophobicContact CB-CE1 4.21Å; F817-F856 HydrophobicContact CB-CZ 4.08Å; F817-F856 AromaticContact CD1-CE1 3.68Å; F817-F856 HydrophobicContact CD1-CE1 3.68Å; F817-F856 AromaticContact CD1-CZ 3.63Å; F817-F856 HydrophobicContact CD1-CZ 3.63Å; F817-F856 HydrophobicContact CE1-CZ 4.38Å; F817-F856 HydrophobicContact CG-CE1 4.38Å; F817-F856 HydrophobicContact CG-CZ 4.14Å |
| 818 | R | 98.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 167.8 | -72.1 | 171.9 | -171.8 | -76.2 | -13 | 111.1 | Y783 D814 S815 T822 D851 L852 M855 | Y783-R818 HydrophobicContact CD2-CB 3.85Å; Y783-R818 HydrophobicContact CE2-CB 3.8Å; Y783-R818 HydrophobicContact CG-CB 4.35Å; D814-R818 VanDerWaalsContact O-CG 3.32Å; D814-R818 WeakPolarHBondContact O-CG 3.45Å; D814-R818 PolarHBondContact O-N 3.44Å; D814-R818 IonicContact OD1-CZ 3.67Å; D814-R818 IonicContact OD1-NE 3.38Å; D814-R818 PolarHBondContact OD1-NE 3.13Å; D814-R818 IonicContact OD1-NH2 3.1Å; D814-R818 PolarHBondContact OD1-NH2 3.5Å; D814-R818 IonicContact OD2-CZ 2.66Å; D814-R818 IonicContact OD2-NE 2.85Å; D814-R818 PolarHBondContact OD2-NE 3.47Å; D814-R818 IonicContact OD2-NH2 2.68Å; D814-R818 PolarHBondContact OD2-NH2 2.87Å; S815-R818 PolarHBondContact O-N 3.45Å; R818-T822 WeakPolarHBondContact O-CB 3.24Å; R818-T822 PolarHBondContact O-N 3.44Å; R818-T822 PolarHBondContact O-OG1 3.16Å; R818-D851 IonicContact CZ-OD1 2.74Å; R818-D851 IonicContact CZ-OD2 2.83Å; R818-D851 VanDerWaalsContact CZ-OD2 3.29Å; R818-D851 VanDerWaalsContact NH1-CG 3.34Å; R818-D851 IonicContact NH1-OD1 3.02Å; R818-D851 IonicContact NH1-OD2 3.55Å; R818-D851 PolarHBondContact NH1-OD2 3.06Å; R818-D851 VanDerWaalsContact NH2-CG 3.28Å; R818-D851 IonicContact NH2-OD1 2.86Å; R818-D851 PolarHBondContact NH2-OD1 2.96Å; R818-D851 IonicContact NH2-OD2 2.7Å; R818-D851 PolarHBondContact NH2-OD2 3.35Å; R818-D851 VanDerWaalsContact NH2-OD2 3.1Å; R818-L852 HydrophobicContact CG-CD1 4.05Å; R818-M855 HydrophobicContact CG-SD 4.48Å |
| 819 | G | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -52.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G779 Y783 S815 A816 F817 C821 T822 M823 | G779-G819 VanDerWaalsContact O-CA 3.24Å; G779-G819 WeakPolarHBondContact O-CA 3.4Å; Y783-G819 VanDerWaalsContact CB-CA 3.49Å; S815-G819 PolarHBondContact O-N 3.41Å; A816-G819 WeakPolarHBondContact O-CA 3.29Å; A816-G819 PolarHBondContact O-N 2.87Å; A816-G819 VanDerWaalsContact O-N 3.14Å; F817-G819 PolarHBondContact O-N 2.75Å; G819-C821 VanDerWaalsContact C-N 3.31Å; G819-C821 PolarHBondContact O-N 3.08Å; G819-T822 PolarHBondContact O-N 2.89Å; G819-M823 WeakPolarHBondContact O-CG 3.44Å; G819-M823 PolarHBondContact O-N 3.23Å |
| 820 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 179.5 | -149.4 | 63.6 | 0 | 0 | 0 | 111.5 | L793 F796 I797 W800 A816 F817 T822 M823 I824 F838 | L793-I820 HydrophobicContact CD1-CD1 3.49Å; L793-I820 VanDerWaalsContact CD1-CD1 3.49Å; L793-I820 HydrophobicContact CD1-CG1 4.42Å; F796-I820 HydrophobicContact CE2-CD1 3.83Å; I797-I820 HydrophobicContact CD1-CD1 3.71Å; I797-I820 HydrophobicContact CD1-CG1 3.72Å; W800-I820 HydrophobicContact CD2-CD1 4.15Å; W800-I820 HydrophobicContact CD2-CG1 4.4Å; W800-I820 HydrophobicContact CE3-CD1 4.32Å; W800-I820 HydrophobicContact CE3-CG1 4.11Å; W800-I820 HydrophobicContact CH2-CB 3.65Å; W800-I820 HydrophobicContact CH2-CG1 4.01Å; W800-I820 HydrophobicContact CH2-CG2 3.58Å; W800-I820 HydrophobicContact CZ2-CB 3.82Å; W800-I820 HydrophobicContact CZ2-CD1 4.41Å; W800-I820 HydrophobicContact CZ2-CG1 4.23Å; W800-I820 HydrophobicContact CZ2-CG2 4.25Å; W800-I820 HydrophobicContact CZ3-CB 4.08Å; W800-I820 HydrophobicContact CZ3-CG1 3.94Å; W800-I820 HydrophobicContact CZ3-CG2 3.93Å; A816-I820 PolarHBondContact O-N 2.92Å; F817-I820 HydrophobicContact CD1-CG2 4.26Å; F817-I820 WeakPolarHBondContact O-CG2 3.44Å; F817-I820 PolarHBondContact O-N 2.83Å; I820-T822 VanDerWaalsContact C-N 3.33Å; I820-T822 PolarHBondContact O-N 2.82Å; I820-M823 HydrophobicContact CD1-CE 3.69Å; I820-M823 PolarHBondContact O-N 3.13Å; I820-I824 HydrophobicContact CG1-CD1 4.31Å; I820-I824 WeakPolarHBondContact O-CB 3.49Å; I820-I824 VanDerWaalsContact O-CG1 3.24Å; I820-I824 WeakPolarHBondContact O-CG1 3.4Å; I820-I824 PolarHBondContact O-N 3.04Å; I820-F838 HydrophobicContact CG2-CD2 4.43Å; I820-F838 HydrophobicContact CG2-CE2 3.79Å |
| 821 | C | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 178.5 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | F817 G819 I824 S825 M855 I859 | F817-C821 WeakPolarHBondContact O-CB 3.19Å; F817-C821 PolarHBondContact O-N 3.28Å; F817-C821 PolarHBondContact O-SG 2.88Å; G819-C821 VanDerWaalsContact C-N 3.31Å; G819-C821 PolarHBondContact O-N 3.08Å; C821-I824 PolarHBondContact O-N 2.79Å; C821-S825 PolarHBondContact O-N 2.94Å; C821-M855 HydrophobicContact CB-CB 4.01Å; C821-M855 HydrophobicContact CB-CE 3.45Å; C821-M855 VanDerWaalsContact CB-CE 3.45Å; C821-M855 HydrophobicContact CB-SD 4.16Å; C821-I859 HydrophobicContact CB-CD1 3.67Å |
| 822 | T | 98 | Very high | 95.8 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 17% | 0.172 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | P786 R818 G819 I820 S825 V826 | P786-T822 HydrophobicContact CB-CG2 3.81Å; P786-T822 HydrophobicContact CG-CG2 3.88Å; R818-T822 WeakPolarHBondContact O-CB 3.24Å; R818-T822 PolarHBondContact O-N 3.44Å; R818-T822 PolarHBondContact O-OG1 3.16Å; G819-T822 PolarHBondContact O-N 2.89Å; I820-T822 VanDerWaalsContact C-N 3.33Å; I820-T822 PolarHBondContact O-N 2.82Å; T822-S825 WeakPolarHBondContact O-CB 3.35Å; T822-S825 PolarHBondContact O-N 3.05Å; T822-S825 PolarHBondContact O-OG 3.2Å; T822-V826 PolarHBondContact O-N 3.14Å |
| 823 | M | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.2 | -72.1 | -170.4 | -81 | 0 | 0 | 112.7 | V789 A790 L793 F796 G819 I820 S825 V826 N827 | V789-M823 HydrophobicContact CB-SD 3.71Å; V789-M823 HydrophobicContact CG1-CE 4.38Å; V789-M823 HydrophobicContact CG1-SD 3.4Å; V789-M823 WeakPolarHBondContact CG1-SD 3.3Å; A790-M823 HydrophobicContact CB-CB 3.92Å; A790-M823 HydrophobicContact CB-CG 4.05Å; L793-M823 HydrophobicContact CD1-CB 4.33Å; F796-M823 HydrophobicContact CE2-CE 4.27Å; F796-M823 HydrophobicContact CZ-CE 3.93Å; F796-M823 HydrophobicContact CZ-SD 3.99Å; G819-M823 WeakPolarHBondContact O-CG 3.44Å; G819-M823 PolarHBondContact O-N 3.23Å; I820-M823 HydrophobicContact CD1-CE 3.69Å; I820-M823 PolarHBondContact O-N 3.13Å; M823-S825 VanDerWaalsContact C-N 3.25Å; M823-S825 PolarHBondContact O-N 3.46Å; M823-V826 PolarHBondContact O-N 2.95Å; M823-N827 PolarHBondContact O-N 3.4Å |
| 824 | I | 97.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -37.6 | 175.2 | -69.9 | 165.4 | 0 | 0 | 0 | 110.5 | L793 I820 C821 V826 N827 P828 V831 F838 I859 | L793-I824 HydrophobicContact CD2-CG1 3.87Å; I820-I824 HydrophobicContact CG1-CD1 4.31Å; I820-I824 WeakPolarHBondContact O-CB 3.49Å; I820-I824 VanDerWaalsContact O-CG1 3.24Å; I820-I824 WeakPolarHBondContact O-CG1 3.4Å; I820-I824 PolarHBondContact O-N 3.04Å; C821-I824 PolarHBondContact O-N 2.79Å; I824-V826 VanDerWaalsContact C-N 3.26Å; I824-V826 PolarHBondContact O-N 3.37Å; I824-N827 CarbonylContact O-C 3.28Å; I824-P828 VanDerWaalsContact O-CA 3.24Å; I824-P828 WeakPolarHBondContact O-CA 3.41Å; I824-P828 WeakPolarHBondContact O-CD 3.49Å; I824-P828 WeakPolarHBondContact O-CG 3.23Å; I824-V831 HydrophobicContact CD1-CG1 4.33Å; I824-V831 HydrophobicContact CD1-CG2 4.43Å; I824-V831 HydrophobicContact CG1-CB 4.32Å; I824-V831 HydrophobicContact CG1-CG1 3.99Å; I824-V831 HydrophobicContact CG2-CG1 4Å; I824-F838 HydrophobicContact CD1-CD2 3.83Å; I824-F838 HydrophobicContact CD1-CE1 4.44Å; I824-F838 HydrophobicContact CD1-CE2 3.67Å; I824-F838 HydrophobicContact CD1-CG 4.29Å; I824-F838 HydrophobicContact CD1-CZ 3.98Å; I824-I859 HydrophobicContact CB-CD1 4.17Å; I824-I859 HydrophobicContact CD1-CD1 4.21Å; I824-I859 HydrophobicContact CG2-CD1 4.07Å; I824-I859 HydrophobicContact CG2-CG1 4.14Å; I824-I859 HydrophobicContact CG2-CG2 3.95Å |
| 825 | S | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 30.1 Ų | 30.1 | 59% | 0.594 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -65.5 | -29 | 176.4 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | C821 T822 M823 | C821-S825 PolarHBondContact O-N 2.94Å; T822-S825 WeakPolarHBondContact O-CB 3.35Å; T822-S825 PolarHBondContact O-N 3.05Å; T822-S825 PolarHBondContact O-OG 3.2Å; M823-S825 VanDerWaalsContact C-N 3.25Å; M823-S825 PolarHBondContact O-N 3.46Å |
| 826 | V | 96.7 | Very high | 94.9 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -84.2 | -41.7 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | P786 A790 T822 M823 I824 | P786-V826 HydrophobicContact CB-CG2 4.02Å; P786-V826 HydrophobicContact CG-CG2 4.48Å; A790-V826 HydrophobicContact CB-CB 4.08Å; A790-V826 HydrophobicContact CB-CG1 3.98Å; T822-V826 PolarHBondContact O-N 3.14Å; M823-V826 PolarHBondContact O-N 2.95Å; I824-V826 VanDerWaalsContact C-N 3.26Å; I824-V826 PolarHBondContact O-N 3.37Å |
| 827 | N | 95.9 | Very high | 94.7 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | trans | -131.6 | 74.6 | 179.4 | -177.3 | 17 | 0 | 0 | 0 | 111.7 | A790 M823 I824 G829 G830 | A790-N827 HydrophobicContact CB-CB 4Å; A790-N827 PolarHBondContact O-ND2 3.32Å; M823-N827 PolarHBondContact O-N 3.4Å; I824-N827 CarbonylContact O-C 3.28Å; N827-G829 PolarHBondContact O-N 2.86Å; N827-G830 PolarHBondContact O-N 3.42Å; N827-G830 VanDerWaalsContact O-N 3.12Å; N827-G830 PolarHBondContact OD1-N 3.15Å | ||
| 828 | P | 92.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 41% | 0.409 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -60.5 | -30.9 | 179.3 | -20.8 | 29.1 | 0 | 0 | 0 | 112.7 | I824 G830 V831 V832 | I824-P828 VanDerWaalsContact O-CA 3.24Å; I824-P828 WeakPolarHBondContact O-CA 3.41Å; I824-P828 WeakPolarHBondContact O-CD 3.49Å; I824-P828 WeakPolarHBondContact O-CG 3.23Å; P828-G830 PolarHBondContact O-N 3.33Å; P828-V831 WeakPolarHBondContact O-CG1 3.48Å; P828-V831 PolarHBondContact O-N 2.95Å; P828-V832 WeakPolarHBondContact O-CG2 3.09Å |
| 829 | G | 91.7 | Very high | 94.4 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -60.5 | -24.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N827 V831 | N827-G829 PolarHBondContact O-N 2.86Å; G829-V831 VanDerWaalsContact C-N 3.32Å; G829-V831 PolarHBondContact O-N 3.48Å |
| 830 | G | 90.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -71.7 | -17.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q794 N827 P828 | Q794-G830 VanDerWaalsContact CA-O 3.28Å; Q794-G830 WeakPolarHBondContact CA-O 3.26Å; N827-G830 PolarHBondContact O-N 3.42Å; N827-G830 VanDerWaalsContact O-N 3.12Å; N827-G830 PolarHBondContact OD1-N 3.15Å; P828-G830 PolarHBondContact O-N 3.33Å |
| 831 | V | 92.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -11.1 | -178.2 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | L793 I797 I824 P828 G829 Q833 D834 F835 F838 | L793-V831 HydrophobicContact CD2-CB 4.36Å; I797-V831 HydrophobicContact CD1-CG2 4.38Å; I797-V831 HydrophobicContact CG1-CG2 3.89Å; I824-V831 HydrophobicContact CD1-CG1 4.33Å; I824-V831 HydrophobicContact CD1-CG2 4.43Å; I824-V831 HydrophobicContact CG1-CB 4.32Å; I824-V831 HydrophobicContact CG1-CG1 3.99Å; I824-V831 HydrophobicContact CG2-CG1 4Å; P828-V831 WeakPolarHBondContact O-CG1 3.48Å; P828-V831 PolarHBondContact O-N 2.95Å; G829-V831 VanDerWaalsContact C-N 3.32Å; G829-V831 PolarHBondContact O-N 3.48Å; V831-Q833 VanDerWaalsContact C-N 3.3Å; V831-Q833 PolarHBondContact O-N 2.9Å; V831-D834 CarbonylContact O-C 3.46Å; V831-D834 PolarHBondContact O-N 3.13Å; V831-D834 VanDerWaalsContact O-N 3.12Å; V831-F835 HydrophobicContact CG1-CD2 4.23Å; V831-F835 HydrophobicContact CG2-CD2 4.12Å; V831-F835 WeakPolarHBondContact O-CA 3.46Å; V831-F835 PolarHBondContact O-N 3.42Å; V831-F838 HydrophobicContact CG2-CB 4.08Å |
| 832 | V | 88.6 | Confident | 93.8 | Very high | 56 Ų | 56 | 35 Ų | 35 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -57.6 | -39.3 | -170.6 | 173.3 | 0 | 0 | 0 | 0 | 113.3 | P828 F863 | P828-V832 WeakPolarHBondContact O-CG2 3.09Å; V832-F863 HydrophobicContact CB-CE2 4.48Å; V832-F863 HydrophobicContact CG1-CE2 4.15Å; V832-F863 HydrophobicContact CG2-CE2 4.47Å |
| 833 | Q | 88.1 | Confident | 93.6 | Very high | 151 Ų | 151 | 34 Ų | 34 | 71% | 0.706 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -72 | -30.9 | -177.7 | -67.7 | -174.3 | -12.3 | 0 | 0 | 112.8 | V831 | V831-Q833 VanDerWaalsContact C-N 3.3Å; V831-Q833 PolarHBondContact O-N 2.9Å |
| 834 | D | 92.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -114.6 | 22.3 | -174 | -64.4 | -73 | 0 | 0 | 0 | 111.9 | I797 V831 I836 F837 | I797-D834 HydrophobicContact CG2-CB 4.04Å; V831-D834 CarbonylContact O-C 3.46Å; V831-D834 PolarHBondContact O-N 3.13Å; V831-D834 VanDerWaalsContact O-N 3.12Å; D834-I836 PolarHBondContact O-N 3.43Å; D834-F837 HydrophobicContact CB-CD2 3.95Å; D834-F837 WeakPolarHBondContact O-CB 3.36Å; D834-F837 PolarHBondContact O-N 3.44Å |
| 835 | F | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -25.1 | -172.6 | -166.8 | -104.4 | 0 | 0 | 0 | 113.3 | V831 F837 F838 C839 I859 L860 F863 W872 F875 | V831-F835 HydrophobicContact CG1-CD2 4.23Å; V831-F835 HydrophobicContact CG2-CD2 4.12Å; V831-F835 WeakPolarHBondContact O-CA 3.46Å; V831-F835 PolarHBondContact O-N 3.42Å; F835-F837 VanDerWaalsContact C-N 3.29Å; F835-F837 PolarHBondContact O-N 2.84Å; F835-F838 HydrophobicContact CD2-CD1 4.42Å; F835-F838 AromaticContact CE2-CD1 3.87Å; F835-F838 HydrophobicContact CE2-CD1 3.87Å; F835-F838 HydrophobicContact CE2-CE1 4.49Å; F835-F838 HydrophobicContact CZ-CD1 4.22Å; F835-F838 PolarHBondContact O-N 3.18Å; F835-C839 WeakPolarHBondContact CE1-SG 3.44Å; F835-C839 PolarHBondContact O-N 3.17Å; F835-C839 PolarHBondContact O-SG 3.29Å; F835-I859 HydrophobicContact CE2-CG2 3.9Å; F835-I859 HydrophobicContact CZ-CG2 4.27Å; F835-L860 HydrophobicContact CE1-CD2 4.23Å; F835-L860 HydrophobicContact CZ-CD2 4.09Å; F835-F863 HydrophobicContact CB-CD2 4.32Å; F835-F863 HydrophobicContact CB-CE1 4.44Å; F835-F863 HydrophobicContact CB-CE2 3.79Å; F835-F863 HydrophobicContact CB-CZ 3.85Å; F835-F863 HydrophobicContact CD1-CB 4.3Å; F835-F863 AromaticContact CD1-CD1 3.43Å; F835-F863 HydrophobicContact CD1-CD1 3.43Å; F835-F863 VanDerWaalsContact CD1-CD1 3.43Å; F835-F863 AromaticContact CD1-CD2 3.87Å; F835-F863 HydrophobicContact CD1-CD2 3.87Å; F835-F863 AromaticContact CD1-CE1 3.53Å; F835-F863 HydrophobicContact CD1-CE1 3.53Å; F835-F863 AromaticContact CD1-CE2 3.97Å; F835-F863 HydrophobicContact CD1-CE2 3.97Å; F835-F863 AromaticContact CD1-CG 3.59Å; F835-F863 HydrophobicContact CD1-CG 3.59Å; F835-F863 AromaticContact CD1-CZ 3.8Å; F835-F863 HydrophobicContact CD1-CZ 3.8Å; F835-F863 HydrophobicContact CD2-CB 4.43Å; F835-F863 AromaticContact CD2-CD2 3.68Å; F835-F863 HydrophobicContact CD2-CD2 3.68Å; F835-F863 HydrophobicContact CD2-CE2 4.02Å; F835-F863 HydrophobicContact CD2-CG 4.02Å; F835-F863 HydrophobicContact CE1-CB 3.63Å; F835-F863 AromaticContact CE1-CD1 3.4Å; F835-F863 HydrophobicContact CE1-CD1 3.4Å; F835-F863 HydrophobicContact CE1-CD2 4.07Å; F835-F863 HydrophobicContact CE1-CE1 4.01Å; F835-F863 AromaticContact CE1-CG 3.42Å; F835-F863 HydrophobicContact CE1-CG 3.42Å; F835-F863 VanDerWaalsContact CE1-CG 3.42Å; F835-F863 HydrophobicContact CE2-CB 3.8Å; F835-F863 AromaticContact CE2-CD2 3.9Å; F835-F863 HydrophobicContact CE2-CD2 3.9Å; F835-F863 AromaticContact CE2-CG 3.88Å; F835-F863 HydrophobicContact CE2-CG 3.88Å; F835-F863 HydrophobicContact CG-CD1 4.11Å; F835-F863 AromaticContact CG-CD2 3.68Å; F835-F863 HydrophobicContact CG-CD2 3.68Å; F835-F863 HydrophobicContact CG-CE1 4.08Å; F835-F863 AromaticContact CG-CE2 3.64Å; F835-F863 HydrophobicContact CG-CE2 3.64Å; F835-F863 AromaticContact CG-CG 3.9Å; F835-F863 HydrophobicContact CG-CG 3.9Å; F835-F863 AromaticContact CG-CZ 3.84Å; F835-F863 HydrophobicContact CG-CZ 3.84Å; F835-F863 HydrophobicContact CZ-CB 3.35Å; F835-F863 HydrophobicContact CZ-CD1 4.06Å; F835-F863 HydrophobicContact CZ-CD2 4.09Å; F835-F863 AromaticContact CZ-CG 3.58Å; F835-F863 HydrophobicContact CZ-CG 3.58Å; F835-W872 HydrophobicContact CD1-CZ3 4.47Å; F835-W872 HydrophobicContact CE1-CH2 4.45Å; F835-W872 HydrophobicContact CE1-CZ3 4.03Å; F835-F875 HydrophobicContact CB-CZ 4.25Å; F835-F875 AromaticContact CD1-CE1 3.92Å; F835-F875 HydrophobicContact CD1-CE1 3.92Å; F835-F875 HydrophobicContact CD1-CZ 4.17Å |
| 836 | I | 91.6 | Very high | 92.7 | Very high | 52 Ų | 52 | 33.2 Ų | 33.2 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.3 | -37 | 176.4 | -172.3 | 163.5 | 0 | 0 | 0 | 111.9 | D834 F838 C839 D840 F875 F879 | D834-I836 PolarHBondContact O-N 3.43Å; I836-F838 VanDerWaalsContact C-N 3.34Å; I836-C839 WeakPolarHBondContact O-CB 3.36Å; I836-C839 PolarHBondContact O-N 3.07Å; I836-D840 PolarHBondContact O-N 3.31Å; I836-F875 HydrophobicContact CB-CE2 4.18Å; I836-F875 HydrophobicContact CB-CZ 3.78Å; I836-F879 HydrophobicContact CB-CE1 4.47Å; I836-F879 HydrophobicContact CD1-CD1 3.99Å; I836-F879 HydrophobicContact CD1-CE1 3.97Å; I836-F879 HydrophobicContact CG1-CD1 4.14Å; I836-F879 HydrophobicContact CG1-CE1 3.79Å |
| 837 | F | 93.9 | Very high | 92.3 | Very high | 52 Ų | 52 | 37 Ų | 37 | 23% | 0.228 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.2 | -68.4 | -85.9 | 0 | 0 | 0 | 110.9 | R798 C801 D834 F835 D840 A841 | R798-F837 HydrophobicContact CG-CD1 4.06Å; R798-F837 HydrophobicContact CG-CD2 4.04Å; R798-F837 HydrophobicContact CG-CE1 3.88Å; R798-F837 HydrophobicContact CG-CE2 3.85Å; R798-F837 HydrophobicContact CG-CG 4.15Å; R798-F837 HydrophobicContact CG-CZ 3.79Å; C801-F837 HydrophobicContact CB-CB 3.67Å; C801-F837 WeakPolarHBondContact CB-O 3.37Å; C801-F837 VanDerWaalsContact SG-C 3.6Å; D834-F837 HydrophobicContact CB-CD2 3.95Å; D834-F837 WeakPolarHBondContact O-CB 3.36Å; D834-F837 PolarHBondContact O-N 3.44Å; F835-F837 VanDerWaalsContact C-N 3.29Å; F835-F837 PolarHBondContact O-N 2.84Å; F837-D840 PolarHBondContact O-N 2.66Å; F837-A841 WeakPolarHBondContact O-CB 3.43Å; F837-A841 PolarHBondContact O-N 3.26Å |
| 838 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.8 | -179.9 | -103 | 0 | 0 | 0 | 112 | I820 I824 V831 F835 I836 D840 A841 V842 F856 I859 | I820-F838 HydrophobicContact CG2-CD2 4.43Å; I820-F838 HydrophobicContact CG2-CE2 3.79Å; I824-F838 HydrophobicContact CD1-CD2 3.83Å; I824-F838 HydrophobicContact CD1-CE1 4.44Å; I824-F838 HydrophobicContact CD1-CE2 3.67Å; I824-F838 HydrophobicContact CD1-CG 4.29Å; I824-F838 HydrophobicContact CD1-CZ 3.98Å; V831-F838 HydrophobicContact CG2-CB 4.08Å; F835-F838 HydrophobicContact CD2-CD1 4.42Å; F835-F838 AromaticContact CE2-CD1 3.87Å; F835-F838 HydrophobicContact CE2-CD1 3.87Å; F835-F838 HydrophobicContact CE2-CE1 4.49Å; F835-F838 HydrophobicContact CZ-CD1 4.22Å; F835-F838 PolarHBondContact O-N 3.18Å; I836-F838 VanDerWaalsContact C-N 3.34Å; F838-D840 VanDerWaalsContact C-N 3.33Å; F838-D840 PolarHBondContact O-N 2.97Å; F838-A841 PolarHBondContact O-N 3.19Å; F838-V842 HydrophobicContact CD1-CG2 4.18Å; F838-V842 HydrophobicContact CD2-CG2 4.28Å; F838-V842 HydrophobicContact CE1-CG2 3.67Å; F838-V842 HydrophobicContact CE2-CG2 3.78Å; F838-V842 HydrophobicContact CG-CG2 4.47Å; F838-V842 HydrophobicContact CZ-CG2 3.45Å; F838-V842 VanDerWaalsContact CZ-CG2 3.45Å; F838-V842 WeakPolarHBondContact O-CB 3.36Å; F838-V842 WeakPolarHBondContact O-CG2 3.46Å; F838-V842 PolarHBondContact O-N 3.36Å; F838-F856 HydrophobicContact CZ-CD1 4.31Å; F838-I859 HydrophobicContact CD1-CG2 4.18Å; F838-I859 HydrophobicContact CE1-CB 4.15Å; F838-I859 HydrophobicContact CE1-CD1 4.5Å; F838-I859 HydrophobicContact CE1-CG2 3.49Å; F838-I859 VanDerWaalsContact CE1-CG2 3.49Å; F838-I859 HydrophobicContact CZ-CB 4.48Å; F838-I859 HydrophobicContact CZ-CD1 4.02Å; F838-I859 HydrophobicContact CZ-CG2 4.09Å |
| 839 | C | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.4 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | F835 I836 V842 A843 F879 L887 | F835-C839 WeakPolarHBondContact CE1-SG 3.44Å; F835-C839 PolarHBondContact O-N 3.17Å; F835-C839 PolarHBondContact O-SG 3.29Å; I836-C839 WeakPolarHBondContact O-CB 3.36Å; I836-C839 PolarHBondContact O-N 3.07Å; C839-V842 PolarHBondContact O-N 2.97Å; C839-A843 WeakPolarHBondContact O-CB 3.46Å; C839-A843 PolarHBondContact O-N 2.98Å; C839-F879 HydrophobicContact CB-CE2 4.4Å; C839-F879 HydrophobicContact CB-CZ 4Å; C839-L887 HydrophobicContact CB-CD1 3.9Å |
| 840 | D | 92.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 177.9 | -169.5 | 43.2 | 0 | 0 | 0 | 111.9 | R805 I836 F837 F838 V842 A843 S844 L883 | R805-D840 WeakPolarHBondContact CD-OD2 3.26Å; R805-D840 IonicContact CZ-OD2 3.73Å; R805-D840 IonicContact NE-OD2 3.31Å; R805-D840 IonicContact NH1-OD1 3.28Å; R805-D840 IonicContact NH1-OD2 2.64Å; R805-D840 PolarHBondContact NH1-OD2 3.34Å; I836-D840 PolarHBondContact O-N 3.31Å; F837-D840 PolarHBondContact O-N 2.66Å; F838-D840 VanDerWaalsContact C-N 3.33Å; F838-D840 PolarHBondContact O-N 2.97Å; D840-V842 PolarHBondContact O-N 2.97Å; D840-A843 CarbonylContact O-C 3.53Å; D840-A843 WeakPolarHBondContact O-CB 3.34Å; D840-A843 PolarHBondContact O-N 3.41Å; D840-A843 VanDerWaalsContact O-N 3.1Å; D840-S844 PolarHBondContact O-N 3.45Å; D840-L883 HydrophobicContact CB-CD2 4.26Å |
| 841 | A | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C801 F817 F837 F838 A843 S844 | C801-A841 HydrophobicContact CB-CB 3.94Å; F817-A841 HydrophobicContact CE1-CB 3.98Å; F817-A841 HydrophobicContact CZ-CB 3.9Å; F817-A841 WeakPolarHBondContact CZ-O 3.43Å; F837-A841 WeakPolarHBondContact O-CB 3.43Å; F837-A841 PolarHBondContact O-N 3.26Å; F838-A841 PolarHBondContact O-N 3.19Å; A841-A843 VanDerWaalsContact C-N 3.32Å; A841-S844 PolarHBondContact O-N 3.22Å; A841-S844 PolarHBondContact O-OG 3.4Å |
| 842 | V | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 173.6 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | F838 C839 D840 S844 W845 F856 L860 L887 Y891 | F838-V842 HydrophobicContact CD1-CG2 4.18Å; F838-V842 HydrophobicContact CD2-CG2 4.28Å; F838-V842 HydrophobicContact CE1-CG2 3.67Å; F838-V842 HydrophobicContact CE2-CG2 3.78Å; F838-V842 HydrophobicContact CG-CG2 4.47Å; F838-V842 HydrophobicContact CZ-CG2 3.45Å; F838-V842 VanDerWaalsContact CZ-CG2 3.45Å; F838-V842 WeakPolarHBondContact O-CB 3.36Å; F838-V842 WeakPolarHBondContact O-CG2 3.46Å; F838-V842 PolarHBondContact O-N 3.36Å; C839-V842 PolarHBondContact O-N 2.97Å; D840-V842 PolarHBondContact O-N 2.97Å; V842-S844 VanDerWaalsContact C-N 3.28Å; V842-W845 PolarHBondContact O-N 2.68Å; V842-F856 HydrophobicContact CG1-CB 3.92Å; V842-F856 HydrophobicContact CG1-CD1 4.27Å; V842-F856 HydrophobicContact CG1-CD2 3.79Å; V842-F856 HydrophobicContact CG1-CE2 4.29Å; V842-F856 HydrophobicContact CG1-CG 3.75Å; V842-F856 HydrophobicContact CG2-CD1 3.68Å; V842-F856 HydrophobicContact CG2-CE1 3.87Å; V842-F856 HydrophobicContact CG2-CG 4.03Å; V842-F856 HydrophobicContact CG2-CZ 4.33Å; V842-L860 HydrophobicContact CG1-CD1 4.28Å; V842-L887 HydrophobicContact CG1-CD2 4.34Å; V842-Y891 HydrophobicContact CG1-CD2 4.35Å; V842-Y891 HydrophobicContact CG1-CE1 4.47Å; V842-Y891 HydrophobicContact CG1-CE2 3.62Å |
| 843 | A | 92.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.7 | -19.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C839 D840 A841 W845 L883 R886 L887 | C839-A843 WeakPolarHBondContact O-CB 3.46Å; C839-A843 PolarHBondContact O-N 2.98Å; D840-A843 CarbonylContact O-C 3.53Å; D840-A843 WeakPolarHBondContact O-CB 3.34Å; D840-A843 PolarHBondContact O-N 3.41Å; D840-A843 VanDerWaalsContact O-N 3.1Å; A841-A843 VanDerWaalsContact C-N 3.32Å; A843-W845 PolarHBondContact O-N 2.68Å; A843-L883 HydrophobicContact CB-CD1 3.15Å; A843-R886 WeakPolarHBondContact O-CD 3.49Å; A843-R886 PolarHBondContact O-NH1 3.33Å; A843-L887 HydrophobicContact CB-CD2 4.1Å; A843-L887 HydrophobicContact CB-CG 4.25Å |
| 844 | S | 92.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.5 | 175.5 | 79 | 0 | 0 | 0 | 0 | 113 | R805 K813 D840 A841 V842 V846 | R805-S844 WeakPolarHBondContact O-CB 3.42Å; R805-S844 PolarHBondContact O-OG 2.76Å; K813-S844 PolarHBondContact NZ-OG 3.31Å; K813-S844 VanDerWaalsContact NZ-OG 3.15Å; D840-S844 PolarHBondContact O-N 3.45Å; A841-S844 PolarHBondContact O-N 3.22Å; A841-S844 PolarHBondContact O-OG 3.4Å; V842-S844 VanDerWaalsContact C-N 3.28Å; S844-V846 PolarHBondContact O-N 3.1Å |
| 845 | W | 92.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | trans | -63.7 | 128.9 | 175.8 | -75 | 85.6 | 0 | 0 | 0 | 112.2 | D809 K813 D814 F817 V842 A843 P848 L852 F856 | D809-W845 HydrophobicContact CB-CE3 4Å; D809-W845 HydrophobicContact CB-CZ3 3.9Å; K813-W845 HydrophobicContact CB-CH2 4.01Å; K813-W845 HydrophobicContact CB-CZ2 3.96Å; K813-W845 HydrophobicContact CD-CD2 4.33Å; K813-W845 HydrophobicContact CD-CH2 4.02Å; K813-W845 HydrophobicContact CD-CZ2 3.69Å; K813-W845 HydrophobicContact CD-CZ3 4.48Å; K813-W845 HydrophobicContact CG-CH2 3.95Å; K813-W845 HydrophobicContact CG-CZ2 3.45Å; K813-W845 VanDerWaalsContact CG-CZ2 3.45Å; D814-W845 HydrophobicContact CB-CH2 3.87Å; F817-W845 HydrophobicContact CB-CZ2 4.18Å; F817-W845 AromaticContact CD1-NE1 3.53Å; F817-W845 AromaticContact CD2-CZ2 3.88Å; F817-W845 HydrophobicContact CD2-CZ2 3.88Å; F817-W845 AromaticContact CD2-NE1 3.59Å; F817-W845 AromaticContact CE1-NE1 3.5Å; F817-W845 HydrophobicContact CE2-CZ2 4.44Å; F817-W845 AromaticContact CE2-NE1 3.55Å; F817-W845 HydrophobicContact CG-CZ2 4.07Å; F817-W845 AromaticContact CG-NE1 3.55Å; F817-W845 AromaticContact CZ-NE1 3.48Å; V842-W845 PolarHBondContact O-N 2.68Å; A843-W845 PolarHBondContact O-N 2.68Å; W845-P848 HydrophobicContact CB-CB 4.29Å; W845-P848 HydrophobicContact CB-CG 4.17Å; W845-P848 HydrophobicContact CD2-CB 4.05Å; W845-P848 HydrophobicContact CE3-CB 3.72Å; W845-P848 HydrophobicContact CG-CB 4.33Å; W845-P848 HydrophobicContact CZ3-CB 4.39Å; W845-L852 HydrophobicContact CH2-CD2 3.87Å; W845-L852 HydrophobicContact CZ2-CD2 3.68Å; W845-L852 HydrophobicContact CZ3-CD2 4.4Å; W845-F856 AromaticContact CD1-CE2 3.89Å; W845-F856 AromaticContact CD1-CZ 3.92Å; W845-F856 HydrophobicContact CD2-CE2 4.45Å; W845-F856 HydrophobicContact CG-CE2 4.1Å; W845-F856 HydrophobicContact CG-CZ 4.48Å; W845-F856 AromaticContact NE1-CZ 3.69Å | ||
| 846 | V | 88.5 | Confident | 93.6 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -91.1 | -50.2 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | D809 S844 | D809-V846 PolarHBondContact OD2-N 3.18Å; S844-V846 PolarHBondContact O-N 3.1Å |
| 847 | N | 87.6 | Confident | 93.8 | Very high | 134 Ų | 134 | 47.2 Ų | 47.2 | 72% | 0.717 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -136.9 | 67.3 | -174.9 | -67.6 | -49.6 | 0 | 0 | 0 | 112.3 | D809 | D809-N847 PolarHBondContact OD2-N 2.82Š|
| 848 | P | 92 | Very high | 93.8 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | trans | -68 | 145.4 | 177.6 | 29.3 | -32.4 | 0 | 0 | 0 | 111.2 | W845 L852 R853 F856 | W845-P848 HydrophobicContact CB-CB 4.29Å; W845-P848 HydrophobicContact CB-CG 4.17Å; W845-P848 HydrophobicContact CD2-CB 4.05Å; W845-P848 HydrophobicContact CE3-CB 3.72Å; W845-P848 HydrophobicContact CG-CB 4.33Å; W845-P848 HydrophobicContact CZ3-CB 4.39Å; P848-L852 HydrophobicContact CB-CD2 4.5Å; P848-R853 HydrophobicContact CG-CB 4.31Å; P848-R853 HydrophobicContact CG-CG 4.49Å; P848-F856 HydrophobicContact CB-CE2 4.14Å | ||
| 849 | K | 93.1 | Very high | 93.9 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | trans | -57.2 | 145.6 | 171.9 | -66.7 | 175 | -176.3 | 166.4 | 0 | 110.2 | E811 D851 L852 R853 | E811-K849 IonicContact OE1-NZ 3.29Å; E811-K849 PolarHBondContact OE1-NZ 3.48Å; E811-K849 IonicContact OE2-NZ 2.82Å; E811-K849 PolarHBondContact OE2-NZ 3.06Å; K849-D851 VanDerWaalsContact CB-OD1 3.31Å; K849-D851 WeakPolarHBondContact CB-OD1 3.19Å; K849-D851 PolarHBondContact O-N 3.2Å; K849-D851 VanDerWaalsContact O-N 3.16Å; K849-L852 PolarHBondContact O-N 2.88Å; K849-L852 VanDerWaalsContact O-N 3.1Å; K849-R853 PolarHBondContact O-N 3.45Å | ||
| 850 | D | 93.3 | Very high | 93.9 | Very high | 135 Ų | 135 | 51.7 Ų | 51.7 | 72% | 0.722 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56.3 | -36.6 | -171.8 | -77.1 | -31.6 | 0 | 0 | 0 | 113.8 | R853 E854 | D850-R853 WeakPolarHBondContact O-CB 3.3Å; D850-R853 PolarHBondContact O-N 2.81Å; D850-E854 PolarHBondContact O-N 3.04Å |
| 851 | D | 94.3 | Very high | 94 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 179.2 | 61.9 | -21.7 | 0 | 0 | 0 | 112.3 | R818 K849 E854 M855 | R818-D851 IonicContact CZ-OD1 2.74Å; R818-D851 IonicContact CZ-OD2 2.83Å; R818-D851 VanDerWaalsContact CZ-OD2 3.29Å; R818-D851 VanDerWaalsContact NH1-CG 3.34Å; R818-D851 IonicContact NH1-OD1 3.02Å; R818-D851 IonicContact NH1-OD2 3.55Å; R818-D851 PolarHBondContact NH1-OD2 3.06Å; R818-D851 VanDerWaalsContact NH2-CG 3.28Å; R818-D851 IonicContact NH2-OD1 2.86Å; R818-D851 PolarHBondContact NH2-OD1 2.96Å; R818-D851 IonicContact NH2-OD2 2.7Å; R818-D851 PolarHBondContact NH2-OD2 3.35Å; R818-D851 VanDerWaalsContact NH2-OD2 3.1Å; K849-D851 VanDerWaalsContact CB-OD1 3.31Å; K849-D851 WeakPolarHBondContact CB-OD1 3.19Å; K849-D851 PolarHBondContact O-N 3.2Å; K849-D851 VanDerWaalsContact O-N 3.16Å; D851-E854 WeakPolarHBondContact O-CB 3.29Å; D851-E854 PolarHBondContact O-N 3.16Å; D851-M855 WeakPolarHBondContact O-CG 3.44Å; D851-M855 PolarHBondContact O-N 2.99Å |
| 852 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 171.7 | -179.6 | 59.3 | 0 | 0 | 0 | 111.1 | D814 F817 R818 W845 P848 K849 E854 M855 F856 | D814-L852 WeakPolarHBondContact OD1-CD2 3.34Å; F817-L852 HydrophobicContact CB-CD1 4.15Å; F817-L852 HydrophobicContact CB-CD2 4.23Å; R818-L852 HydrophobicContact CG-CD1 4.05Å; W845-L852 HydrophobicContact CH2-CD2 3.87Å; W845-L852 HydrophobicContact CZ2-CD2 3.68Å; W845-L852 HydrophobicContact CZ3-CD2 4.4Å; P848-L852 HydrophobicContact CB-CD2 4.5Å; K849-L852 PolarHBondContact O-N 2.88Å; K849-L852 VanDerWaalsContact O-N 3.1Å; L852-E854 VanDerWaalsContact C-N 3.25Å; L852-E854 PolarHBondContact O-N 2.9Å; L852-M855 HydrophobicContact CD1-SD 4.35Å; L852-M855 WeakPolarHBondContact O-CA 3.2Å; L852-M855 WeakPolarHBondContact O-CB 3.42Å; L852-M855 PolarHBondContact O-N 3.03Å; L852-F856 HydrophobicContact CD1-CD1 4.36Å; L852-F856 HydrophobicContact CD1-CE1 3.68Å; L852-F856 HydrophobicContact CD1-CE2 4.31Å; L852-F856 HydrophobicContact CD1-CZ 3.68Å; L852-F856 HydrophobicContact CD2-CE2 4.06Å; L852-F856 HydrophobicContact CD2-CZ 3.76Å; L852-F856 HydrophobicContact CG-CD2 4.38Å; L852-F856 HydrophobicContact CG-CE1 4.04Å; L852-F856 HydrophobicContact CG-CE2 3.73Å; L852-F856 HydrophobicContact CG-CZ 3.53Å; L852-F856 WeakPolarHBondContact O-CG 3.27Å; L852-F856 PolarHBondContact O-N 3.08Å |
| 853 | R | 94.3 | Very high | 93.7 | Very high | 93 Ų | 93 | 53.8 Ų | 53.8 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 174.3 | -170 | -173.8 | 175.9 | 171.2 | 0.2 | 111.7 | P848 K849 D850 F856 Y857 F890 Y891 | P848-R853 HydrophobicContact CG-CB 4.31Å; P848-R853 HydrophobicContact CG-CG 4.49Å; K849-R853 PolarHBondContact O-N 3.45Å; D850-R853 WeakPolarHBondContact O-CB 3.3Å; D850-R853 PolarHBondContact O-N 2.81Å; R853-F856 PolarHBondContact O-N 2.94Å; R853-Y857 WeakPolarHBondContact O-CB 3.44Å; R853-Y857 PolarHBondContact O-N 3.09Å; R853-F890 PolarHBondContact NE-O 2.86Å; R853-F890 PolarHBondContact NH2-O 2.74Å; R853-Y891 HydrophobicContact CG-CD1 4.33Å; R853-Y891 HydrophobicContact CG-CE1 3.67Å |
| 854 | E | 95.6 | Very high | 93.6 | Very high | 105 Ų | 105 | 54.8 Ų | 54.8 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 174.9 | -163.6 | -168.6 | 154.3 | 0 | 0 | 112.1 | D850 D851 L852 Y857 K858 | D850-E854 PolarHBondContact O-N 3.04Å; D851-E854 WeakPolarHBondContact O-CB 3.29Å; D851-E854 PolarHBondContact O-N 3.16Å; L852-E854 VanDerWaalsContact C-N 3.25Å; L852-E854 PolarHBondContact O-N 2.9Å; E854-Y857 PolarHBondContact O-N 3.48Å; E854-K858 WeakPolarHBondContact O-CG 3.38Å; E854-K858 PolarHBondContact O-N 3.35Å; E854-K858 WeakPolarHBondContact OE1-CE 3.1Å; E854-K858 IonicContact OE1-NZ 2.76Å; E854-K858 PolarHBondContact OE1-NZ 3.15Å |
| 855 | M | 97.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.2 | -62.3 | 178.6 | 86.5 | 0 | 0 | 111.3 | R818 C821 D851 L852 Y857 K858 I859 | R818-M855 HydrophobicContact CG-SD 4.48Å; C821-M855 HydrophobicContact CB-CB 4.01Å; C821-M855 HydrophobicContact CB-CE 3.45Å; C821-M855 VanDerWaalsContact CB-CE 3.45Å; C821-M855 HydrophobicContact CB-SD 4.16Å; D851-M855 WeakPolarHBondContact O-CG 3.44Å; D851-M855 PolarHBondContact O-N 2.99Å; L852-M855 HydrophobicContact CD1-SD 4.35Å; L852-M855 WeakPolarHBondContact O-CA 3.2Å; L852-M855 WeakPolarHBondContact O-CB 3.42Å; L852-M855 PolarHBondContact O-N 3.03Å; M855-Y857 VanDerWaalsContact C-N 3.35Å; M855-Y857 PolarHBondContact O-N 3.41Å; M855-K858 PolarHBondContact O-N 3.39Å; M855-I859 WeakPolarHBondContact O-CG1 3.42Å; M855-I859 PolarHBondContact O-N 3.11Å; M855-I859 VanDerWaalsContact O-N 3.12Å |
| 856 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.9 | -63.5 | -25.2 | 0 | 0 | 0 | 111.7 | F817 F838 V842 W845 P848 L852 R853 K858 I859 L860 Y891 | F817-F856 HydrophobicContact CB-CE1 4.21Å; F817-F856 HydrophobicContact CB-CZ 4.08Å; F817-F856 AromaticContact CD1-CE1 3.68Å; F817-F856 HydrophobicContact CD1-CE1 3.68Å; F817-F856 AromaticContact CD1-CZ 3.63Å; F817-F856 HydrophobicContact CD1-CZ 3.63Å; F817-F856 HydrophobicContact CE1-CZ 4.38Å; F817-F856 HydrophobicContact CG-CE1 4.38Å; F817-F856 HydrophobicContact CG-CZ 4.14Å; F838-F856 HydrophobicContact CZ-CD1 4.31Å; V842-F856 HydrophobicContact CG1-CB 3.92Å; V842-F856 HydrophobicContact CG1-CD1 4.27Å; V842-F856 HydrophobicContact CG1-CD2 3.79Å; V842-F856 HydrophobicContact CG1-CE2 4.29Å; V842-F856 HydrophobicContact CG1-CG 3.75Å; V842-F856 HydrophobicContact CG2-CD1 3.68Å; V842-F856 HydrophobicContact CG2-CE1 3.87Å; V842-F856 HydrophobicContact CG2-CG 4.03Å; V842-F856 HydrophobicContact CG2-CZ 4.33Å; W845-F856 AromaticContact CD1-CE2 3.89Å; W845-F856 AromaticContact CD1-CZ 3.92Å; W845-F856 HydrophobicContact CD2-CE2 4.45Å; W845-F856 HydrophobicContact CG-CE2 4.1Å; W845-F856 HydrophobicContact CG-CZ 4.48Å; W845-F856 AromaticContact NE1-CZ 3.69Å; P848-F856 HydrophobicContact CB-CE2 4.14Å; L852-F856 HydrophobicContact CD1-CD1 4.36Å; L852-F856 HydrophobicContact CD1-CE1 3.68Å; L852-F856 HydrophobicContact CD1-CE2 4.31Å; L852-F856 HydrophobicContact CD1-CZ 3.68Å; L852-F856 HydrophobicContact CD2-CE2 4.06Å; L852-F856 HydrophobicContact CD2-CZ 3.76Å; L852-F856 HydrophobicContact CG-CD2 4.38Å; L852-F856 HydrophobicContact CG-CE1 4.04Å; L852-F856 HydrophobicContact CG-CE2 3.73Å; L852-F856 HydrophobicContact CG-CZ 3.53Å; L852-F856 WeakPolarHBondContact O-CG 3.27Å; L852-F856 PolarHBondContact O-N 3.08Å; R853-F856 PolarHBondContact O-N 2.94Å; F856-K858 VanDerWaalsContact C-N 3.34Å; F856-K858 PolarHBondContact O-N 3.19Å; F856-I859 PolarHBondContact O-N 3.22Å; F856-L860 WeakPolarHBondContact O-CB 3.44Å; F856-L860 VanDerWaalsContact O-CG 3.32Å; F856-L860 WeakPolarHBondContact O-CG 3.28Å; F856-L860 PolarHBondContact O-N 3.14Å; F856-Y891 HydrophobicContact CB-CD1 4.14Å; F856-Y891 HydrophobicContact CB-CE1 3.62Å; F856-Y891 AromaticContact CD2-CE1 3.99Å; F856-Y891 HydrophobicContact CD2-CE1 3.99Å; F856-Y891 AromaticContact CD2-CZ 3.92Å; F856-Y891 VanDerWaalsContact CD2-OH 3.31Å; F856-Y891 WeakPolarHBondContact CD2-OH 3.24Å; F856-Y891 HydrophobicContact CG-CE1 4.32Å |
| 857 | Y | 95.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 65.3 Ų | 65.3 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.9 | -48.7 | 176.6 | 178.8 | -85.9 | 0 | 0 | 0 | 111.7 | R853 E854 M855 I859 L860 H861 | R853-Y857 WeakPolarHBondContact O-CB 3.44Å; R853-Y857 PolarHBondContact O-N 3.09Å; E854-Y857 PolarHBondContact O-N 3.48Å; M855-Y857 VanDerWaalsContact C-N 3.35Å; M855-Y857 PolarHBondContact O-N 3.41Å; Y857-I859 VanDerWaalsContact C-N 3.35Å; Y857-I859 PolarHBondContact O-N 3.35Å; Y857-L860 PolarHBondContact O-N 3.15Å; Y857-H861 AromaticContact CD1-CD2 3.96Å; Y857-H861 AromaticContact CD2-CD2 3.48Å; Y857-H861 VanDerWaalsContact CD2-CD2 3.48Å; Y857-H861 WeakPolarHBondContact CD2-CD2 3.29Å; Y857-H861 AromaticContact CD2-NE2 3.58Å; Y857-H861 AromaticContact CE1-CD2 3.74Å; Y857-H861 AromaticContact CE2-CD2 3.27Å; Y857-H861 WeakPolarHBondContact CE2-CD2 3.44Å; Y857-H861 AromaticContact CE2-CE1 3.96Å; Y857-H861 AromaticContact CE2-NE2 3.06Å; Y857-H861 WeakPolarHBondContact CE2-NE2 3.38Å; Y857-H861 AromaticContact CG-CD2 3.82Å; Y857-H861 AromaticContact CZ-CD2 3.39Å; Y857-H861 AromaticContact CZ-CG 3.95Å; Y857-H861 AromaticContact CZ-NE2 3.44Å; Y857-H861 WeakPolarHBondContact O-CB 3.32Å; Y857-H861 PolarHBondContact O-CD2 3.07Å; Y857-H861 VanDerWaalsContact O-CD2 3.29Å; Y857-H861 PolarHBondContact O-N 2.7Å |
| 858 | K | 95.5 | Very high | 93.4 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 52% | 0.522 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | -179.6 | -75.6 | 170.9 | -176.9 | 161 | 0 | 112.5 | E854 M855 F856 G862 | E854-K858 WeakPolarHBondContact O-CG 3.38Å; E854-K858 PolarHBondContact O-N 3.35Å; E854-K858 WeakPolarHBondContact OE1-CE 3.1Å; E854-K858 IonicContact OE1-NZ 2.76Å; E854-K858 PolarHBondContact OE1-NZ 3.15Å; M855-K858 PolarHBondContact O-N 3.39Å; F856-K858 VanDerWaalsContact C-N 3.34Å; F856-K858 PolarHBondContact O-N 3.19Å; K858-G862 WeakPolarHBondContact O-CA 3.35Å; K858-G862 PolarHBondContact O-N 3.3Å |
| 859 | I | 96 | Very high | 93.3 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.2 | -47.9 | -179.1 | -66.1 | 168.6 | 0 | 0 | 0 | 110.9 | C821 I824 F835 F838 M855 F856 Y857 G862 F863 | C821-I859 HydrophobicContact CB-CD1 3.67Å; I824-I859 HydrophobicContact CB-CD1 4.17Å; I824-I859 HydrophobicContact CD1-CD1 4.21Å; I824-I859 HydrophobicContact CG2-CD1 4.07Å; I824-I859 HydrophobicContact CG2-CG1 4.14Å; I824-I859 HydrophobicContact CG2-CG2 3.95Å; F835-I859 HydrophobicContact CE2-CG2 3.9Å; F835-I859 HydrophobicContact CZ-CG2 4.27Å; F838-I859 HydrophobicContact CD1-CG2 4.18Å; F838-I859 HydrophobicContact CE1-CB 4.15Å; F838-I859 HydrophobicContact CE1-CD1 4.5Å; F838-I859 HydrophobicContact CE1-CG2 3.49Å; F838-I859 VanDerWaalsContact CE1-CG2 3.49Å; F838-I859 HydrophobicContact CZ-CB 4.48Å; F838-I859 HydrophobicContact CZ-CD1 4.02Å; F838-I859 HydrophobicContact CZ-CG2 4.09Å; M855-I859 WeakPolarHBondContact O-CG1 3.42Å; M855-I859 PolarHBondContact O-N 3.11Å; M855-I859 VanDerWaalsContact O-N 3.12Å; F856-I859 PolarHBondContact O-N 3.22Å; Y857-I859 VanDerWaalsContact C-N 3.35Å; Y857-I859 PolarHBondContact O-N 3.35Å; I859-G862 PolarHBondContact O-N 3.05Å; I859-F863 PolarHBondContact O-N 2.98Å |
| 860 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | -179.9 | -70 | 169.8 | 0 | 0 | 0 | 111.8 | F835 V842 F856 Y857 F863 K864 L887 Y891 V893 | F835-L860 HydrophobicContact CE1-CD2 4.23Å; F835-L860 HydrophobicContact CZ-CD2 4.09Å; V842-L860 HydrophobicContact CG1-CD1 4.28Å; F856-L860 WeakPolarHBondContact O-CB 3.44Å; F856-L860 VanDerWaalsContact O-CG 3.32Å; F856-L860 WeakPolarHBondContact O-CG 3.28Å; F856-L860 PolarHBondContact O-N 3.14Å; Y857-L860 PolarHBondContact O-N 3.15Å; L860-F863 PolarHBondContact O-N 2.85Å; L860-K864 WeakPolarHBondContact O-CB 3.43Å; L860-K864 PolarHBondContact O-N 3.45Å; L860-L887 HydrophobicContact CD1-CD2 4.19Å; L860-Y891 HydrophobicContact CD1-CD1 4.24Å; L860-Y891 HydrophobicContact CD1-CD2 3.82Å; L860-Y891 HydrophobicContact CD1-CG 3.66Å; L860-V893 HydrophobicContact CB-CG1 4.07Å; L860-V893 HydrophobicContact CB-CG2 4.15Å; L860-V893 HydrophobicContact CD1-CG2 4.13Å |
| 861 | H | 94.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 176.3 | -79.5 | -87.1 | 0 | 0 | 0 | 112.4 | Y857 K864 N865 Y891 V893 | Y857-H861 AromaticContact CD1-CD2 3.96Å; Y857-H861 AromaticContact CD2-CD2 3.48Å; Y857-H861 VanDerWaalsContact CD2-CD2 3.48Å; Y857-H861 WeakPolarHBondContact CD2-CD2 3.29Å; Y857-H861 AromaticContact CD2-NE2 3.58Å; Y857-H861 AromaticContact CE1-CD2 3.74Å; Y857-H861 AromaticContact CE2-CD2 3.27Å; Y857-H861 WeakPolarHBondContact CE2-CD2 3.44Å; Y857-H861 AromaticContact CE2-CE1 3.96Å; Y857-H861 AromaticContact CE2-NE2 3.06Å; Y857-H861 WeakPolarHBondContact CE2-NE2 3.38Å; Y857-H861 AromaticContact CG-CD2 3.82Å; Y857-H861 AromaticContact CZ-CD2 3.39Å; Y857-H861 AromaticContact CZ-CG 3.95Å; Y857-H861 AromaticContact CZ-NE2 3.44Å; Y857-H861 WeakPolarHBondContact O-CB 3.32Å; Y857-H861 PolarHBondContact O-CD2 3.07Å; Y857-H861 VanDerWaalsContact O-CD2 3.29Å; Y857-H861 PolarHBondContact O-N 2.7Å; H861-K864 PolarHBondContact O-N 3.35Å; H861-N865 WeakPolarHBondContact O-CB 3.36Å; H861-N865 PolarHBondContact O-N 3Å; H861-N865 PolarHBondContact O-ND2 2.92Å; H861-Y891 PolarHBondContact NE2-O 3.41Å; H861-V893 VanDerWaalsContact NE2-CG1 3.32Å; H861-V893 WeakPolarHBondContact NE2-CG1 3.34Å |
| 862 | G | 92.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | K858 I859 N865 Q866 | K858-G862 WeakPolarHBondContact O-CA 3.35Å; K858-G862 PolarHBondContact O-N 3.3Å; I859-G862 PolarHBondContact O-N 3.05Å; G862-N865 PolarHBondContact O-N 2.8Å; G862-Q866 WeakPolarHBondContact O-CB 3.41Å; G862-Q866 PolarHBondContact O-N 3.34Å |
| 863 | F | 91.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 177.3 | -173.3 | -91.8 | 0 | 0 | 0 | 112 | V832 F835 I859 L860 N865 Q866 V867 W872 F875 | V832-F863 HydrophobicContact CB-CE2 4.48Å; V832-F863 HydrophobicContact CG1-CE2 4.15Å; V832-F863 HydrophobicContact CG2-CE2 4.47Å; F835-F863 HydrophobicContact CB-CD2 4.32Å; F835-F863 HydrophobicContact CB-CE1 4.44Å; F835-F863 HydrophobicContact CB-CE2 3.79Å; F835-F863 HydrophobicContact CB-CZ 3.85Å; F835-F863 HydrophobicContact CD1-CB 4.3Å; F835-F863 AromaticContact CD1-CD1 3.43Å; F835-F863 HydrophobicContact CD1-CD1 3.43Å; F835-F863 VanDerWaalsContact CD1-CD1 3.43Å; F835-F863 AromaticContact CD1-CD2 3.87Å; F835-F863 HydrophobicContact CD1-CD2 3.87Å; F835-F863 AromaticContact CD1-CE1 3.53Å; F835-F863 HydrophobicContact CD1-CE1 3.53Å; F835-F863 AromaticContact CD1-CE2 3.97Å; F835-F863 HydrophobicContact CD1-CE2 3.97Å; F835-F863 AromaticContact CD1-CG 3.59Å; F835-F863 HydrophobicContact CD1-CG 3.59Å; F835-F863 AromaticContact CD1-CZ 3.8Å; F835-F863 HydrophobicContact CD1-CZ 3.8Å; F835-F863 HydrophobicContact CD2-CB 4.43Å; F835-F863 AromaticContact CD2-CD2 3.68Å; F835-F863 HydrophobicContact CD2-CD2 3.68Å; F835-F863 HydrophobicContact CD2-CE2 4.02Å; F835-F863 HydrophobicContact CD2-CG 4.02Å; F835-F863 HydrophobicContact CE1-CB 3.63Å; F835-F863 AromaticContact CE1-CD1 3.4Å; F835-F863 HydrophobicContact CE1-CD1 3.4Å; F835-F863 HydrophobicContact CE1-CD2 4.07Å; F835-F863 HydrophobicContact CE1-CE1 4.01Å; F835-F863 AromaticContact CE1-CG 3.42Å; F835-F863 HydrophobicContact CE1-CG 3.42Å; F835-F863 VanDerWaalsContact CE1-CG 3.42Å; F835-F863 HydrophobicContact CE2-CB 3.8Å; F835-F863 AromaticContact CE2-CD2 3.9Å; F835-F863 HydrophobicContact CE2-CD2 3.9Å; F835-F863 AromaticContact CE2-CG 3.88Å; F835-F863 HydrophobicContact CE2-CG 3.88Å; F835-F863 HydrophobicContact CG-CD1 4.11Å; F835-F863 AromaticContact CG-CD2 3.68Å; F835-F863 HydrophobicContact CG-CD2 3.68Å; F835-F863 HydrophobicContact CG-CE1 4.08Å; F835-F863 AromaticContact CG-CE2 3.64Å; F835-F863 HydrophobicContact CG-CE2 3.64Å; F835-F863 AromaticContact CG-CG 3.9Å; F835-F863 HydrophobicContact CG-CG 3.9Å; F835-F863 AromaticContact CG-CZ 3.84Å; F835-F863 HydrophobicContact CG-CZ 3.84Å; F835-F863 HydrophobicContact CZ-CB 3.35Å; F835-F863 HydrophobicContact CZ-CD1 4.06Å; F835-F863 HydrophobicContact CZ-CD2 4.09Å; F835-F863 AromaticContact CZ-CG 3.58Å; F835-F863 HydrophobicContact CZ-CG 3.58Å; I859-F863 PolarHBondContact O-N 2.98Å; L860-F863 PolarHBondContact O-N 2.85Å; F863-N865 VanDerWaalsContact C-N 3.28Å; F863-N865 PolarHBondContact O-N 3.4Å; F863-Q866 WeakPolarHBondContact O-CB 3.12Å; F863-Q866 PolarHBondContact O-N 3.12Å; F863-V867 HydrophobicContact CD1-CG1 4.19Å; F863-V867 HydrophobicContact CD1-CG2 4.31Å; F863-V867 HydrophobicContact CE1-CG1 3.73Å; F863-V867 HydrophobicContact CE1-CG2 4.19Å; F863-V867 HydrophobicContact CE2-CG1 4.23Å; F863-V867 HydrophobicContact CZ-CG1 3.76Å; F863-V867 WeakPolarHBondContact O-CG2 3.28Å; F863-V867 PolarHBondContact O-N 3.07Å; F863-W872 AromaticContact CD1-CE3 3.89Å; F863-W872 HydrophobicContact CD1-CE3 3.89Å; F863-W872 AromaticContact CD1-CZ3 3.72Å; F863-W872 HydrophobicContact CD1-CZ3 3.72Å; F863-W872 HydrophobicContact CE1-CE3 4.2Å; F863-W872 HydrophobicContact CE1-CZ3 4.13Å; F863-F875 HydrophobicContact CE1-CD1 4.33Å; F863-F875 HydrophobicContact CE1-CE1 4.25Å |
| 864 | K | 91.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.1 | -44.5 | 176.1 | 177.6 | 173 | 178.4 | 177.8 | 0 | 112.1 | L860 H861 G868 E869 W872 V893 | L860-K864 WeakPolarHBondContact O-CB 3.43Å; L860-K864 PolarHBondContact O-N 3.45Å; H861-K864 PolarHBondContact O-N 3.35Å; K864-G868 WeakPolarHBondContact O-CA 3.45Å; K864-G868 PolarHBondContact O-N 3.49Å; K864-E869 VanDerWaalsContact CE-CD 3.43Å; K864-E869 WeakPolarHBondContact CE-OE1 3.46Å; K864-E869 WeakPolarHBondContact CE-OE2 3.01Å; K864-E869 IonicContact NZ-OE1 3.88Å; K864-E869 PolarHBondContact NZ-OE1 3.25Å; K864-E869 IonicContact NZ-OE2 3.17Å; K864-W872 HydrophobicContact CB-CD2 4.03Å; K864-W872 HydrophobicContact CB-CE3 4.23Å; K864-W872 HydrophobicContact CB-CG 4.21Å; K864-W872 HydrophobicContact CD-CD2 4.33Å; K864-W872 HydrophobicContact CD-CG 4.05Å; K864-W872 HydrophobicContact CG-CB 4.06Å; K864-W872 HydrophobicContact CG-CD2 4.02Å; K864-W872 HydrophobicContact CG-CG 3.69Å; K864-V893 HydrophobicContact CD-CG1 4.26Å |
| 865 | N | 91.9 | Very high | 91.8 | Very high | 122 Ų | 122 | 67.7 Ų | 67.7 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.9 | -35.6 | 177.1 | -71.6 | -30.8 | 0 | 0 | 0 | 112.6 | H861 G862 F863 | H861-N865 WeakPolarHBondContact O-CB 3.36Å; H861-N865 PolarHBondContact O-N 3Å; H861-N865 PolarHBondContact O-ND2 2.92Å; G862-N865 PolarHBondContact O-N 2.8Å; F863-N865 VanDerWaalsContact C-N 3.28Å; F863-N865 PolarHBondContact O-N 3.4Å |
| 866 | Q | 88.9 | Confident | 91.3 | Very high | 135 Ų | 135 | 65.9 Ų | 65.9 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | -179.9 | -175 | 176.6 | 0.4 | 0 | 0 | 112.7 | G862 F863 | G862-Q866 WeakPolarHBondContact O-CB 3.41Å; G862-Q866 PolarHBondContact O-N 3.34Å; F863-Q866 WeakPolarHBondContact O-CB 3.12Å; F863-Q866 PolarHBondContact O-N 3.12Å |
| 867 | V | 87 | Confident | 90.9 | Very high | 41 Ų | 41 | 71.1 Ų | 71.1 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -83.6 | -23.4 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | F863 N871 W872 | F863-V867 HydrophobicContact CD1-CG1 4.19Å; F863-V867 HydrophobicContact CD1-CG2 4.31Å; F863-V867 HydrophobicContact CE1-CG1 3.73Å; F863-V867 HydrophobicContact CE1-CG2 4.19Å; F863-V867 HydrophobicContact CE2-CG1 4.23Å; F863-V867 HydrophobicContact CZ-CG1 3.76Å; F863-V867 WeakPolarHBondContact O-CG2 3.28Å; F863-V867 PolarHBondContact O-N 3.07Å; V867-N871 HydrophobicContact CB-CB 4.13Å; V867-N871 HydrophobicContact CG2-CB 4.37Å; V867-N871 WeakPolarHBondContact O-CB 3.28Å; V867-N871 PolarHBondContact O-ND2 3.01Å; V867-W872 HydrophobicContact CG2-CB 3.93Å |
| 868 | G | 88.6 | Confident | 90.5 | Very high | 28 Ų | 28 | 71.9 Ų | 71.9 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | 83.6 | 154 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K864 D870 N871 W872 | K864-G868 WeakPolarHBondContact O-CA 3.45Å; K864-G868 PolarHBondContact O-N 3.49Å; G868-D870 PolarHBondContact O-N 3.11Å; G868-N871 PolarHBondContact O-N 3.36Å; G868-W872 WeakPolarHBondContact O-CB 3.41Å; G868-W872 PolarHBondContact O-N 3.09Å | ||
| 869 | E | 88.9 | Confident | 90.1 | Very high | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.1 | -44.2 | -172.9 | -78.6 | -73.1 | 166.3 | 0 | 0 | 114.3 | K864 W872 R873 | K864-E869 VanDerWaalsContact CE-CD 3.43Å; K864-E869 WeakPolarHBondContact CE-OE1 3.46Å; K864-E869 WeakPolarHBondContact CE-OE2 3.01Å; K864-E869 IonicContact NZ-OE1 3.88Å; K864-E869 PolarHBondContact NZ-OE1 3.25Å; K864-E869 IonicContact NZ-OE2 3.17Å; E869-W872 PolarHBondContact O-N 3.31Å; E869-R873 WeakPolarHBondContact O-CG 3.43Å; E869-R873 PolarHBondContact O-N 3.05Å |
| 870 | D | 89 | Confident | 89.7 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.4 | -38.1 | -177.4 | -69.8 | -32.1 | 0 | 0 | 0 | 112.7 | G868 R874 | G868-D870 PolarHBondContact O-N 3.11Å; D870-R874 WeakPolarHBondContact O-CG 3.36Å; D870-R874 PolarHBondContact O-N 2.89Å |
| 871 | N | 88.8 | Confident | 89.3 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -76.1 | -36.2 | 177 | -67.4 | -36.7 | 0 | 0 | 0 | 111.2 | V867 G868 R873 R874 F875 | V867-N871 HydrophobicContact CB-CB 4.13Å; V867-N871 HydrophobicContact CG2-CB 4.37Å; V867-N871 WeakPolarHBondContact O-CB 3.28Å; V867-N871 PolarHBondContact O-ND2 3.01Å; G868-N871 PolarHBondContact O-N 3.36Å; N871-R873 VanDerWaalsContact C-N 3.34Å; N871-R873 PolarHBondContact O-N 3.22Å; N871-R874 PolarHBondContact O-N 2.87Å; N871-F875 WeakPolarHBondContact O-CB 3.49Å; N871-F875 PolarHBondContact O-N 2.81Å |
| 872 | W | 90.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 172.4 | 174.7 | -106.5 | 0 | 0 | 0 | 111.3 | F835 F863 K864 V867 G868 E869 F875 S876 F879 V893 | F835-W872 HydrophobicContact CD1-CZ3 4.47Å; F835-W872 HydrophobicContact CE1-CH2 4.45Å; F835-W872 HydrophobicContact CE1-CZ3 4.03Å; F863-W872 AromaticContact CD1-CE3 3.89Å; F863-W872 HydrophobicContact CD1-CE3 3.89Å; F863-W872 AromaticContact CD1-CZ3 3.72Å; F863-W872 HydrophobicContact CD1-CZ3 3.72Å; F863-W872 HydrophobicContact CE1-CE3 4.2Å; F863-W872 HydrophobicContact CE1-CZ3 4.13Å; K864-W872 HydrophobicContact CB-CD2 4.03Å; K864-W872 HydrophobicContact CB-CE3 4.23Å; K864-W872 HydrophobicContact CB-CG 4.21Å; K864-W872 HydrophobicContact CD-CD2 4.33Å; K864-W872 HydrophobicContact CD-CG 4.05Å; K864-W872 HydrophobicContact CG-CB 4.06Å; K864-W872 HydrophobicContact CG-CD2 4.02Å; K864-W872 HydrophobicContact CG-CG 3.69Å; V867-W872 HydrophobicContact CG2-CB 3.93Å; G868-W872 WeakPolarHBondContact O-CB 3.41Å; G868-W872 PolarHBondContact O-N 3.09Å; E869-W872 PolarHBondContact O-N 3.31Å; W872-F875 AromaticContact CE3-CD1 4Å; W872-F875 HydrophobicContact CE3-CD1 4Å; W872-F875 AromaticContact CZ3-CD1 3.78Å; W872-F875 HydrophobicContact CZ3-CD1 3.78Å; W872-F875 HydrophobicContact CZ3-CE1 4.01Å; W872-F875 WeakPolarHBondContact O-CB 3.29Å; W872-F875 PolarHBondContact O-N 3.23Å; W872-S876 WeakPolarHBondContact O-CB 3.35Å; W872-S876 PolarHBondContact O-N 3.31Å; W872-S876 PolarHBondContact O-OG 3Å; W872-F879 HydrophobicContact CH2-CE2 4.48Å; W872-V893 HydrophobicContact CZ2-CB 3.71Å; W872-V893 HydrophobicContact CZ2-CG2 3.97Å; W872-V893 PolarHBondContact NE1-OXT 3.01Å |
| 873 | R | 89.4 | Confident | 88.7 | Confident | 148 Ų | 148 | 76.9 Ų | 76.9 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.2 | -47.9 | 175 | -75.7 | 175.3 | -175.5 | -171.8 | -0.4 | 112.2 | E869 N871 F875 S876 D877 | E869-R873 WeakPolarHBondContact O-CG 3.43Å; E869-R873 PolarHBondContact O-N 3.05Å; N871-R873 VanDerWaalsContact C-N 3.34Å; N871-R873 PolarHBondContact O-N 3.22Å; R873-F875 PolarHBondContact O-N 3.28Å; R873-S876 PolarHBondContact O-N 2.99Å; R873-S876 PolarHBondContact O-OG 3.05Å; R873-D877 WeakPolarHBondContact O-CB 3.32Å; R873-D877 PolarHBondContact O-N 3.25Å |
| 874 | R | 88.6 | Confident | 88.6 | Confident | 178 Ų | 178 | 79.5 Ų | 79.5 | 67% | 0.672 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 176.8 | -71.9 | 175.2 | -178.9 | 175.7 | 1.3 | 113.3 | D870 N871 Q878 | D870-R874 WeakPolarHBondContact O-CG 3.36Å; D870-R874 PolarHBondContact O-N 2.89Å; N871-R874 PolarHBondContact O-N 2.87Å; R874-Q878 PolarHBondContact O-NE2 3.45Å |
| 875 | F | 88 | Confident | 88.4 | Confident | 40 Ų | 40 | 83.6 Ų | 83.6 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -76.1 | -50.5 | 176.7 | 178.5 | -104.6 | 0 | 0 | 0 | 111.4 | F835 I836 F863 N871 W872 R873 D877 Q878 F879 | F835-F875 HydrophobicContact CB-CZ 4.25Å; F835-F875 AromaticContact CD1-CE1 3.92Å; F835-F875 HydrophobicContact CD1-CE1 3.92Å; F835-F875 HydrophobicContact CD1-CZ 4.17Å; I836-F875 HydrophobicContact CB-CE2 4.18Å; I836-F875 HydrophobicContact CB-CZ 3.78Å; F863-F875 HydrophobicContact CE1-CD1 4.33Å; F863-F875 HydrophobicContact CE1-CE1 4.25Å; N871-F875 WeakPolarHBondContact O-CB 3.49Å; N871-F875 PolarHBondContact O-N 2.81Å; W872-F875 AromaticContact CE3-CD1 4Å; W872-F875 HydrophobicContact CE3-CD1 4Å; W872-F875 AromaticContact CZ3-CD1 3.78Å; W872-F875 HydrophobicContact CZ3-CD1 3.78Å; W872-F875 HydrophobicContact CZ3-CE1 4.01Å; W872-F875 WeakPolarHBondContact O-CB 3.29Å; W872-F875 PolarHBondContact O-N 3.23Å; R873-F875 PolarHBondContact O-N 3.28Å; F875-D877 VanDerWaalsContact C-N 3.26Å; F875-D877 PolarHBondContact O-N 3.41Å; F875-Q878 VanDerWaalsContact O-CB 3.32Å; F875-Q878 WeakPolarHBondContact O-CB 3.24Å; F875-Q878 PolarHBondContact O-N 3.1Å; F875-Q878 VanDerWaalsContact O-N 3.07Å; F875-F879 HydrophobicContact CD1-CE1 4.03Å; F875-F879 AromaticContact CD1-CZ 3.86Å; F875-F879 HydrophobicContact CD1-CZ 3.86Å; F875-F879 AromaticContact CE1-CE1 3.67Å; F875-F879 HydrophobicContact CE1-CE1 3.67Å; F875-F879 AromaticContact CE1-CZ 3.5Å; F875-F879 HydrophobicContact CE1-CZ 3.5Å; F875-F879 HydrophobicContact CZ-CE1 4.1Å; F875-F879 HydrophobicContact CZ-CZ 4.32Å |
| 876 | S | 88.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.7 | -16.3 | -179.2 | 63.5 | 0 | 0 | 0 | 0 | 114 | W872 R873 Q878 F879 | W872-S876 WeakPolarHBondContact O-CB 3.35Å; W872-S876 PolarHBondContact O-N 3.31Å; W872-S876 PolarHBondContact O-OG 3Å; R873-S876 PolarHBondContact O-N 2.99Å; R873-S876 PolarHBondContact O-OG 3.05Å; S876-Q878 PolarHBondContact O-N 3.1Å; S876-F879 WeakPolarHBondContact O-CB 3.36Å; S876-F879 PolarHBondContact O-N 3.3Å |
| 877 | D | 87.9 | Confident | 88.3 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.9 | 168.7 | -75.3 | -18.3 | 0 | 0 | 0 | 113.3 | R873 F875 F879 K884 | R873-D877 WeakPolarHBondContact O-CB 3.32Å; R873-D877 PolarHBondContact O-N 3.25Å; F875-D877 VanDerWaalsContact C-N 3.26Å; F875-D877 PolarHBondContact O-N 3.41Å; D877-F879 VanDerWaalsContact C-N 3.33Å; D877-K884 IonicContact OD1-NZ 2.83Å; D877-K884 PolarHBondContact OD1-NZ 3.44Å |
| 878 | Q | 87.6 | Confident | 88.4 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10 | 174 | -58.6 | 170.3 | 41 | 0 | 0 | 112.5 | R874 F875 S876 | R874-Q878 PolarHBondContact O-NE2 3.45Å; F875-Q878 VanDerWaalsContact O-CB 3.32Å; F875-Q878 WeakPolarHBondContact O-CB 3.24Å; F875-Q878 PolarHBondContact O-N 3.1Å; F875-Q878 VanDerWaalsContact O-N 3.07Å; S876-Q878 PolarHBondContact O-N 3.1Å |
| 879 | F | 88.3 | Confident | 88.4 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -74.5 | 141.5 | -177 | -64.3 | -6.6 | 0 | 0 | 0 | 111.3 | I836 C839 W872 F875 S876 D877 L883 K884 L887 | I836-F879 HydrophobicContact CB-CE1 4.47Å; I836-F879 HydrophobicContact CD1-CD1 3.99Å; I836-F879 HydrophobicContact CD1-CE1 3.97Å; I836-F879 HydrophobicContact CG1-CD1 4.14Å; I836-F879 HydrophobicContact CG1-CE1 3.79Å; C839-F879 HydrophobicContact CB-CE2 4.4Å; C839-F879 HydrophobicContact CB-CZ 4Å; W872-F879 HydrophobicContact CH2-CE2 4.48Å; F875-F879 HydrophobicContact CD1-CE1 4.03Å; F875-F879 AromaticContact CD1-CZ 3.86Å; F875-F879 HydrophobicContact CD1-CZ 3.86Å; F875-F879 AromaticContact CE1-CE1 3.67Å; F875-F879 HydrophobicContact CE1-CE1 3.67Å; F875-F879 AromaticContact CE1-CZ 3.5Å; F875-F879 HydrophobicContact CE1-CZ 3.5Å; F875-F879 HydrophobicContact CZ-CE1 4.1Å; F875-F879 HydrophobicContact CZ-CZ 4.32Å; S876-F879 WeakPolarHBondContact O-CB 3.36Å; S876-F879 PolarHBondContact O-N 3.3Å; D877-F879 VanDerWaalsContact C-N 3.33Å; F879-L883 HydrophobicContact CB-CB 4.4Å; F879-L883 HydrophobicContact CB-CD2 4.02Å; F879-L883 HydrophobicContact CB-CG 4.18Å; F879-L883 HydrophobicContact CD1-CD2 4.16Å; F879-L883 HydrophobicContact CD2-CD2 4.25Å; F879-L883 HydrophobicContact CD2-CG 4.17Å; F879-L883 HydrophobicContact CG-CD2 3.89Å; F879-L883 HydrophobicContact CG-CG 4.2Å; F879-K884 HydrophobicContact CB-CB 4.19Å; F879-L887 HydrophobicContact CD2-CD1 4.11Å; F879-L887 HydrophobicContact CE2-CD1 3.71Å |
| 880 | P | 87.1 | Confident | 88.2 | Confident | 82 Ų | 82 | 79.2 Ų | 79.2 | 53% | 0.532 | 40% | 0.395 | S | S | . | . | trans | -53.7 | 146 | 163.1 | -24.2 | 34.6 | 0 | 0 | 0 | 110.8 | P882 L883 K884 | P880-P882 VanDerWaalsContact C-CD 3.47Å; P880-P882 VanDerWaalsContact C-N 3.35Å; P880-L883 HydrophobicContact CB-CB 4.46Å; P880-L883 WeakPolarHBondContact O-CB 3.38Å; P880-L883 PolarHBondContact O-N 3.16Å; P880-L883 VanDerWaalsContact O-N 3.08Å; P880-K884 PolarHBondContact O-N 3.34Å | ||
| 881 | L | 87 | Confident | 88.3 | Confident | 115 Ų | 115 | 74 Ų | 74 | 60% | 0.602 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -53.4 | -44.8 | -177.5 | -175 | 67.1 | 0 | 0 | 0 | 113.1 | L883 K884 E885 | L881-L883 VanDerWaalsContact C-N 3.33Å; L881-L883 PolarHBondContact O-N 3.33Å; L881-K884 PolarHBondContact O-N 2.86Å; L881-E885 HydrophobicContact CD1-CG 4.21Å; L881-E885 HydrophobicContact CG-CG 4.39Å; L881-E885 WeakPolarHBondContact O-CG 3.38Å; L881-E885 PolarHBondContact O-N 2.99Å |
| 882 | P | 85.4 | Confident | 88.3 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -40.4 | 178.1 | -23.7 | 35 | 0 | 0 | 0 | 113.2 | P880 R886 | P880-P882 VanDerWaalsContact C-CD 3.47Å; P880-P882 VanDerWaalsContact C-N 3.35Å; P882-R886 VanDerWaalsContact O-CB 3.29Å; P882-R886 WeakPolarHBondContact O-CB 3.44Å; P882-R886 PolarHBondContact O-N 3.46Å |
| 883 | L | 87.6 | Confident | 88 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.5 | 174.9 | 57.8 | 0 | 0 | 0 | 110.9 | D840 A843 F879 P880 L881 E885 R886 L887 | D840-L883 HydrophobicContact CB-CD2 4.26Å; A843-L883 HydrophobicContact CB-CD1 3.15Å; F879-L883 HydrophobicContact CB-CB 4.4Å; F879-L883 HydrophobicContact CB-CD2 4.02Å; F879-L883 HydrophobicContact CB-CG 4.18Å; F879-L883 HydrophobicContact CD1-CD2 4.16Å; F879-L883 HydrophobicContact CD2-CD2 4.25Å; F879-L883 HydrophobicContact CD2-CG 4.17Å; F879-L883 HydrophobicContact CG-CD2 3.89Å; F879-L883 HydrophobicContact CG-CG 4.2Å; P880-L883 HydrophobicContact CB-CB 4.46Å; P880-L883 WeakPolarHBondContact O-CB 3.38Å; P880-L883 PolarHBondContact O-N 3.16Å; P880-L883 VanDerWaalsContact O-N 3.08Å; L881-L883 VanDerWaalsContact C-N 3.33Å; L881-L883 PolarHBondContact O-N 3.33Å; L883-E885 PolarHBondContact O-N 3.09Å; L883-R886 PolarHBondContact O-N 3.22Å; L883-L887 HydrophobicContact CD1-CD1 3.76Å; L883-L887 HydrophobicContact CD1-CG 4.03Å; L883-L887 HydrophobicContact CG-CD1 4.12Å; L883-L887 WeakPolarHBondContact O-CG 3.32Å; L883-L887 PolarHBondContact O-N 2.92Å |
| 884 | K | 89.1 | Confident | 88 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 32% | 0.317 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 180 | -169.7 | 171.7 | -171.7 | 162.2 | 0 | 112 | D877 F879 P880 L881 A888 | D877-K884 IonicContact OD1-NZ 2.83Å; D877-K884 PolarHBondContact OD1-NZ 3.44Å; F879-K884 HydrophobicContact CB-CB 4.19Å; P880-K884 PolarHBondContact O-N 3.34Å; L881-K884 PolarHBondContact O-N 2.86Å; K884-A888 WeakPolarHBondContact O-CB 3.27Å; K884-A888 PolarHBondContact O-N 3.11Å |
| 885 | E | 88.7 | Confident | 87.9 | Confident | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 179.3 | -72.6 | -178.9 | 166.4 | 0 | 0 | 112 | L881 L883 A888 T889 | L881-E885 HydrophobicContact CD1-CG 4.21Å; L881-E885 HydrophobicContact CG-CG 4.39Å; L881-E885 WeakPolarHBondContact O-CG 3.38Å; L881-E885 PolarHBondContact O-N 2.99Å; L883-E885 PolarHBondContact O-N 3.09Å; E885-A888 PolarHBondContact O-N 2.93Å; E885-T889 VanDerWaalsContact O-CB 3.28Å; E885-T889 WeakPolarHBondContact O-CB 3.31Å; E885-T889 PolarHBondContact O-N 3.43Å; E885-T889 PolarHBondContact O-OG1 3.15Å |
| 886 | R | 87.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 179.7 | -163.9 | 177.6 | -79.8 | -166.9 | -3.5 | 111.2 | A843 P882 L883 A888 T889 F890 | A843-R886 WeakPolarHBondContact O-CD 3.49Å; A843-R886 PolarHBondContact O-NH1 3.33Å; P882-R886 VanDerWaalsContact O-CB 3.29Å; P882-R886 WeakPolarHBondContact O-CB 3.44Å; P882-R886 PolarHBondContact O-N 3.46Å; L883-R886 PolarHBondContact O-N 3.22Å; R886-A888 PolarHBondContact O-N 3.28Å; R886-T889 PolarHBondContact O-N 3.11Å; R886-F890 HydrophobicContact CG-CD2 3.7Å; R886-F890 HydrophobicContact CG-CE2 3.91Å; R886-F890 WeakPolarHBondContact O-CD2 3.17Å; R886-F890 PolarHBondContact O-N 2.83Å |
| 887 | L | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.5 | -69.8 | 175.8 | 0 | 0 | 0 | 112.6 | C839 V842 A843 L860 F879 L883 Y891 G892 V893 | C839-L887 HydrophobicContact CB-CD1 3.9Å; V842-L887 HydrophobicContact CG1-CD2 4.34Å; A843-L887 HydrophobicContact CB-CD2 4.1Å; A843-L887 HydrophobicContact CB-CG 4.25Å; L860-L887 HydrophobicContact CD1-CD2 4.19Å; F879-L887 HydrophobicContact CD2-CD1 4.11Å; F879-L887 HydrophobicContact CE2-CD1 3.71Å; L883-L887 HydrophobicContact CD1-CD1 3.76Å; L883-L887 HydrophobicContact CD1-CG 4.03Å; L883-L887 HydrophobicContact CG-CD1 4.12Å; L883-L887 WeakPolarHBondContact O-CG 3.32Å; L883-L887 PolarHBondContact O-N 2.92Å; L887-Y891 HydrophobicContact CD2-CD2 3.86Å; L887-Y891 HydrophobicContact CD2-CE2 4.14Å; L887-Y891 WeakPolarHBondContact O-CA 3.35Å; L887-Y891 WeakPolarHBondContact O-CB 3.23Å; L887-Y891 PolarHBondContact O-N 3.26Å; L887-G892 PolarHBondContact O-N 3.08Å; L887-V893 HydrophobicContact CB-CG2 4.26Å |
| 888 | A | 89.2 | Confident | 87.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K884 E885 R886 G892 | K884-A888 WeakPolarHBondContact O-CB 3.27Å; K884-A888 PolarHBondContact O-N 3.11Å; E885-A888 PolarHBondContact O-N 2.93Å; R886-A888 PolarHBondContact O-N 3.28Å; A888-G892 VanDerWaalsContact O-CA 3.28Å; A888-G892 WeakPolarHBondContact O-CA 3.32Å; A888-G892 PolarHBondContact O-N 2.86Å |
| 889 | T | 87.9 | Confident | 87.9 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.4 | -45.7 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | E885 R886 | E885-T889 VanDerWaalsContact O-CB 3.28Å; E885-T889 WeakPolarHBondContact O-CB 3.31Å; E885-T889 PolarHBondContact O-N 3.43Å; E885-T889 PolarHBondContact O-OG1 3.15Å; R886-T889 PolarHBondContact O-N 3.11Å |
| 890 | F | 84.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -87.6 | -30.6 | -174.1 | -77.2 | -80.1 | 0 | 0 | 0 | 113.8 | R853 R886 | R853-F890 PolarHBondContact NE-O 2.86Å; R853-F890 PolarHBondContact NH2-O 2.74Å; R886-F890 HydrophobicContact CG-CD2 3.7Å; R886-F890 HydrophobicContact CG-CE2 3.91Å; R886-F890 WeakPolarHBondContact O-CD2 3.17Å; R886-F890 PolarHBondContact O-N 2.83Å |
| 891 | Y | 91.5 | Very high | 88 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -128.7 | -8.7 | -169.7 | -49.6 | -75.6 | 0 | 0 | 0 | 114.5 | V842 R853 F856 L860 H861 L887 V893 | V842-Y891 HydrophobicContact CG1-CD2 4.35Å; V842-Y891 HydrophobicContact CG1-CE1 4.47Å; V842-Y891 HydrophobicContact CG1-CE2 3.62Å; R853-Y891 HydrophobicContact CG-CD1 4.33Å; R853-Y891 HydrophobicContact CG-CE1 3.67Å; F856-Y891 HydrophobicContact CB-CD1 4.14Å; F856-Y891 HydrophobicContact CB-CE1 3.62Å; F856-Y891 AromaticContact CD2-CE1 3.99Å; F856-Y891 HydrophobicContact CD2-CE1 3.99Å; F856-Y891 AromaticContact CD2-CZ 3.92Å; F856-Y891 VanDerWaalsContact CD2-OH 3.31Å; F856-Y891 WeakPolarHBondContact CD2-OH 3.24Å; F856-Y891 HydrophobicContact CG-CE1 4.32Å; L860-Y891 HydrophobicContact CD1-CD1 4.24Å; L860-Y891 HydrophobicContact CD1-CD2 3.82Å; L860-Y891 HydrophobicContact CD1-CG 3.66Å; H861-Y891 PolarHBondContact NE2-O 3.41Å; L887-Y891 HydrophobicContact CD2-CD2 3.86Å; L887-Y891 HydrophobicContact CD2-CE2 4.14Å; L887-Y891 WeakPolarHBondContact O-CA 3.35Å; L887-Y891 WeakPolarHBondContact O-CB 3.23Å; L887-Y891 PolarHBondContact O-N 3.26Å; Y891-V893 PolarHBondContact O-N 3.38Å |
| 892 | G | 88.4 | Confident | 88 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | trans | 68.4 | 29.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L887 A888 | L887-G892 PolarHBondContact O-N 3.08Å; A888-G892 VanDerWaalsContact O-CA 3.28Å; A888-G892 WeakPolarHBondContact O-CA 3.32Å; A888-G892 PolarHBondContact O-N 2.86Å | ||
| 893 | V | 85.1 | Confident | 88.3 | Confident | 29 Ų | 29 | 56 Ų | 56 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | trans | -109.9 | 0 | 179.8 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | L860 H861 K864 W872 L887 Y891 | L860-V893 HydrophobicContact CB-CG1 4.07Å; L860-V893 HydrophobicContact CB-CG2 4.15Å; L860-V893 HydrophobicContact CD1-CG2 4.13Å; H861-V893 VanDerWaalsContact NE2-CG1 3.32Å; H861-V893 WeakPolarHBondContact NE2-CG1 3.34Å; K864-V893 HydrophobicContact CD-CG1 4.26Å; W872-V893 HydrophobicContact CZ2-CB 3.71Å; W872-V893 HydrophobicContact CZ2-CG2 3.97Å; W872-V893 PolarHBondContact NE1-OXT 3.01Å; L887-V893 HydrophobicContact CB-CG2 4.26Å; Y891-V893 PolarHBondContact O-N 3.38Å |
Retrieved 893 of 893 residues in 639 ms
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