| 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 | 24 | Very low | 43 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 100% | 1.197 | 70% | 0.698 | S | S | * | * | 0 | 34.5 | 0 | -87.6 | -175.4 | 177.9 | 0 | 0 | 112.8 | |||||
| 2 | T | 29.1 | Very low | 46.9 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | trans | -141.5 | 49.7 | 175.7 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | K | 29.5 | Very low | 50.5 | Low | 193 Ų | 193 | 117.8 Ų | 117.8 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -108.6 | -1.1 | 165 | -92 | -171.8 | 173.7 | -177.3 | 0 | 113.7 | ||
| 4 | D | 30.2 | Very low | 53.6 | Low | 158 Ų | 158 | 115.3 Ų | 115.3 | 85% | 0.845 | 60% | 0.597 | S | S | * | * | trans | -116.5 | 36.4 | -169.6 | -70.1 | -31.8 | 0 | 0 | 0 | 115.6 | ||||
| 5 | I | 29.8 | Very low | 56.4 | Low | 139 Ų | 139 | 107.7 Ų | 107.7 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | trans | -128.8 | 74.5 | 167.3 | -50.1 | 176.2 | 0 | 0 | 0 | 109.3 | ||||
| 6 | C | 27.1 | Very low | 58.8 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | trans | -100.5 | 35.9 | 172.4 | -81 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | Q | 37.4 | Very low | 60.9 | Low | 149 Ų | 149 | 97.4 Ų | 97.4 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | trans | -73.4 | 145.3 | 169 | -82.8 | -176.8 | -15.3 | 0 | 0 | 110.6 | N9 | Q7-N9 PolarHBondContact O-N 2.93Å; Q7-N9 PolarHBondContact O-OD1 3.32Å | ||
| 8 | I | 40.7 | Very low | 62.5 | Low | 138 Ų | 138 | 94.8 Ų | 94.8 | 71% | 0.708 | 49% | 0.488 | S | S | * | . | trans | -71.4 | 94.9 | -172.8 | -60.6 | 162.9 | 0 | 0 | 0 | 108.4 | L10 | I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.21Å; I8-L10 PolarHBondContact O-N 2.86Å | ||
| 9 | N | 63.1 | Low | 63.9 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | trans | -97.2 | 58.3 | -179.9 | -63 | -7.2 | 0 | 0 | 0 | 111.6 | Q7 T69 | Q7-N9 PolarHBondContact O-N 2.93Å; Q7-N9 PolarHBondContact O-OD1 3.32Å; N9-T69 WeakPolarHBondContact CB-OG1 3.35Å; N9-T69 PolarHBondContact O-N 3.18Å; N9-T69 VanDerWaalsContact O-N 3.08Å; N9-T69 PolarHBondContact O-OG1 3.47Å | ||
| 10 | L | 77 | Confident | 65.2 | Low | 103 Ų | 103 | 89.9 Ų | 89.9 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.6 | 159.7 | -92 | 149.2 | 0 | 0 | 0 | 107.5 | I8 L67 | I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 HydrophobicContact CG2-CD1 4.21Å; I8-L10 PolarHBondContact O-N 2.86Å; L10-L67 WeakPolarHBondContact CA-O 3.49Å |
| 11 | R | 85 | Confident | 66.3 | Low | 40 Ų | 40 | 87.6 Ų | 87.6 | 15% | 0.151 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.6 | 177.7 | -69.6 | -63.9 | -162.9 | -165.7 | 3.9 | 109.1 | L67 T69 I149 D150 P152 L153 | R11-L67 PolarHBondContact N-O 3.39Å; R11-L67 PolarHBondContact O-N 3.41Å; R11-T69 HydrophobicContact CB-CG2 4.44Å; R11-T69 HydrophobicContact CG-CG2 3.7Å; R11-I149 HydrophobicContact CB-CD1 3.82Å; R11-I149 HydrophobicContact CG-CD1 4.11Å; R11-D150 IonicContact NH1-OD1 3.17Å; R11-D150 IonicContact NH1-OD2 3.91Å; R11-P152 PolarHBondContact NH2-O 2.99Å; R11-L153 HydrophobicContact CB-CD1 4.27Å; R11-L153 HydrophobicContact CG-CD1 4.25Å |
| 12 | T | 90.2 | Very high | 69.2 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 110.5 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | K64 | T12-K64 HydrophobicContact CG2-CB 4.04Å; T12-K64 HydrophobicContact CG2-CD 4.31Å; T12-K64 HydrophobicContact CG2-CG 4.23Å |
| 13 | I | 92.9 | Very high | 71.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126 | 173.5 | -61.3 | 168 | 0 | 0 | 0 | 107.7 | I15 K64 Y65 L78 L115 V147 I149 | I13-I15 HydrophobicContact CG2-CD1 3.98Å; I13-I15 HydrophobicContact CG2-CG1 4.26Å; I13-K64 WeakPolarHBondContact O-CA 3.49Å; I13-Y65 HydrophobicContact CD1-CD1 4.16Å; I13-Y65 PolarHBondContact N-O 3.47Å; I13-Y65 PolarHBondContact O-N 3.31Å; I13-L78 HydrophobicContact CD1-CD1 3.85Å; I13-L78 HydrophobicContact CD1-CD2 3.88Å; I13-L115 HydrophobicContact CB-CD1 4.45Å; I13-L115 HydrophobicContact CD1-CD1 3.58Å; I13-L115 HydrophobicContact CG1-CD1 3.83Å; I13-L115 HydrophobicContact CG2-CD1 3.74Å; I13-V147 HydrophobicContact CG2-CG1 3.77Å; I13-I149 HydrophobicContact CG1-CD1 4.3Å |
| 14 | Q | 94.2 | Very high | 74.1 | Confident | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.1 | 174.7 | -60.3 | -171.8 | 12 | 0 | 0 | 108.7 | V62 F63 V147 S148 | Q14-V62 HydrophobicContact CB-CG1 4.04Å; Q14-V62 HydrophobicContact CG-CG1 4.48Å; Q14-F63 WeakPolarHBondContact CA-O 3.48Å; Q14-V147 WeakPolarHBondContact O-CA 3.34Å; Q14-S148 PolarHBondContact N-O 2.79Å; Q14-S148 PolarHBondContact O-N 3.43Å |
| 15 | I | 95.7 | Very high | 76.1 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 100.9 | 174 | -58.8 | 103.4 | 0 | 0 | 0 | 107 | I13 L36 V62 F63 F83 F110 I145 V147 | I13-I15 HydrophobicContact CG2-CD1 3.98Å; I13-I15 HydrophobicContact CG2-CG1 4.26Å; I15-L36 HydrophobicContact CB-CD2 3.97Å; I15-L36 HydrophobicContact CD1-CD2 3.82Å; I15-L36 HydrophobicContact CG1-CD2 4.11Å; I15-L36 HydrophobicContact CG2-CD2 3.99Å; I15-V62 WeakPolarHBondContact O-CA 3.48Å; I15-F63 HydrophobicContact CB-CB 4.3Å; I15-F63 PolarHBondContact N-O 3.28Å; I15-F63 PolarHBondContact O-N 3.38Å; I15-F83 HydrophobicContact CD1-CE1 4.12Å; I15-F110 HydrophobicContact CG1-CZ 4.32Å; I15-F110 HydrophobicContact CG2-CZ 3.86Å; I15-I145 HydrophobicContact CG2-CG2 3.56Å; I15-V147 HydrophobicContact CG1-CG1 4.38Å; I15-V147 HydrophobicContact CG1-CG2 4.25Å; I15-V147 HydrophobicContact CG2-CG2 4.33Å |
| 16 | H | 95.2 | Very high | 78 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110 | 178.1 | -177.5 | -162 | 0 | 0 | 0 | 109.8 | D60 V62 I145 L146 | H16-D60 IonicContact CD2-OD1 3.78Å; H16-D60 IonicContact CE1-OD1 2.8Å; H16-D60 PolarHBondContact CE1-OD1 2.98Å; H16-D60 IonicContact NE2-OD1 2.79Å; H16-D60 PolarHBondContact NE2-OD1 3.45Å; H16-V62 HydrophobicContact CB-CG2 4.07Å; H16-I145 WeakPolarHBondContact O-CA 3.24Å; H16-L146 HydrophobicContact CB-CB 4.3Å; H16-L146 PolarHBondContact N-O 3.26Å; H16-L146 PolarHBondContact O-N 2.86Å |
| 17 | L | 93.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 115 | 171.8 | -170.2 | 148.7 | 0 | 0 | 0 | 109.1 | V34 I59 D60 H61 L85 V143 I145 | L17-V34 HydrophobicContact CD1-CG1 4.09Å; L17-I59 HydrophobicContact CD2-CB 3.49Å; L17-I59 VanDerWaalsContact CD2-CB 3.49Å; L17-I59 HydrophobicContact CD2-CD1 3.31Å; L17-I59 HydrophobicContact CD2-CG1 3.94Å; L17-I59 HydrophobicContact CD2-CG2 3.8Å; L17-D60 CarbonylContact O-C 3.58Å; L17-D60 VanDerWaalsContact O-CA 3.3Å; L17-D60 WeakPolarHBondContact O-CA 3.46Å; L17-D60 PolarHBondContact O-N 2.7Å; L17-H61 PolarHBondContact N-O 3.25Å; L17-H61 PolarHBondContact O-N 2.94Å; L17-L85 HydrophobicContact CD1-CD1 3.26Å; L17-L85 HydrophobicContact CD1-CD2 4.17Å; L17-L85 HydrophobicContact CD1-CG 4.26Å; L17-V143 HydrophobicContact CD1-CG1 3.59Å; L17-V143 HydrophobicContact CD2-CG1 4.32Å; L17-V143 HydrophobicContact CG-CG1 3.78Å; L17-I145 HydrophobicContact CD1-CG1 4.5Å |
| 18 | Q | 89.7 | Confident | 81.3 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -64.8 | -172.4 | -61.4 | -176.9 | -0.5 | 0 | 0 | 110.6 | I59 D60 E144 | Q18-I59 PolarHBondContact O-N 3.47Å; Q18-I59 VanDerWaalsContact O-N 3.12Å; Q18-D60 PolarHBondContact O-N 2.9Å; Q18-E144 HydrophobicContact CB-CB 4.33Å; Q18-E144 PolarHBondContact N-O 2.94Å; Q18-E144 VanDerWaalsContact N-O 3.13Å |
| 19 | R | 89.4 | Confident | 82.7 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 166.6 | -175.9 | 69.6 | -174.1 | 79.3 | -155.5 | 6.5 | 112.7 | H21 E56 L57 E144 | R19-H21 WeakPolarHBondContact CD-CE1 3.4Å; R19-H21 WeakPolarHBondContact CD-NE2 3.37Å; R19-E56 IonicContact NH1-OE2 3.12Å; R19-L57 CarbonylContact C-O 3.48Å; R19-L57 VanDerWaalsContact CA-O 3.3Å; R19-L57 WeakPolarHBondContact CA-O 3.38Å; R19-E144 WeakPolarHBondContact CD-OE2 3.38Å; R19-E144 HydrophobicContact CG-CB 4.3Å; R19-E144 HydrophobicContact CG-CG 3.99Å; R19-E144 WeakPolarHBondContact CG-OE2 3.41Å; R19-E144 IonicContact NE-OE2 2.79Å; R19-E144 PolarHBondContact NE-OE2 3.04Å; R19-E144 VanDerWaalsContact NE-OE2 3.08Å; R19-E144 PolarHBondContact O-N 3.36Å |
| 20 | I | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.7 | 172 | -45.3 | -175.7 | 0 | 0 | 0 | 109.1 | F23 E56 L57 I59 V87 L128 P141 T142 V143 | I20-F23 HydrophobicContact CB-CD2 4.29Å; I20-F23 HydrophobicContact CD1-CD2 4.39Å; I20-F23 HydrophobicContact CG2-CB 4.42Å; I20-F23 HydrophobicContact CG2-CD2 3.96Å; I20-E56 VanDerWaalsContact O-CA 3.32Å; I20-E56 WeakPolarHBondContact O-CA 3.4Å; I20-L57 HydrophobicContact CB-CB 4.23Å; I20-L57 HydrophobicContact CD1-CD2 4.06Å; I20-L57 HydrophobicContact CG1-CB 4.47Å; I20-L57 PolarHBondContact N-O 3.17Å; I20-L57 PolarHBondContact O-N 2.92Å; I20-I59 HydrophobicContact CD1-CD1 3.73Å; I20-I59 HydrophobicContact CG1-CD1 3.96Å; I20-V87 HydrophobicContact CD1-CG2 4.2Å; I20-L128 HydrophobicContact CD1-CD1 3.89Å; I20-L128 HydrophobicContact CG2-CD1 3.78Å; I20-P141 HydrophobicContact CG2-CB 4.2Å; I20-T142 CarbonylContact C-O 3.53Å; I20-T142 WeakPolarHBondContact CA-O 3.33Å; I20-V143 HydrophobicContact CB-CG2 4.49Å; I20-V143 HydrophobicContact CD1-CG2 4.19Å; I20-V143 HydrophobicContact CG1-CG1 4.32Å; I20-V143 HydrophobicContact CG1-CG2 3.99Å; I20-V143 HydrophobicContact CG2-CG2 4.04Å |
| 21 | H | 87.8 | Confident | 84 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 157.5 | 173.9 | -61 | -75.7 | 0 | 0 | 0 | 112.3 | R19 F23 E56 P141 T142 E144 | R19-H21 WeakPolarHBondContact CD-CE1 3.4Å; R19-H21 WeakPolarHBondContact CD-NE2 3.37Å; H21-F23 PolarHBondContact O-N 3.34Å; H21-E56 IonicContact CE1-OE1 3.45Å; H21-E56 PolarHBondContact CE1-OE1 3.02Å; H21-E56 VanDerWaalsContact CE1-OE1 3.27Å; H21-E56 IonicContact ND1-OE1 3.77Å; H21-E56 PolarHBondContact ND1-OE1 2.96Å; H21-P141 VanDerWaalsContact O-CA 3.31Å; H21-P141 WeakPolarHBondContact O-CA 3.43Å; H21-T142 PolarHBondContact N-O 2.88Å; H21-T142 PolarHBondContact O-N 3.44Å; H21-E144 IonicContact CD2-OE1 3.82Å; H21-E144 IonicContact CE1-OE1 3.47Å; H21-E144 WeakPolarHBondContact NE2-CG 3.32Å; H21-E144 IonicContact NE2-OE1 2.7Å; H21-E144 PolarHBondContact NE2-OE1 3.25Å; H21-E144 IonicContact NE2-OE2 3.64Å |
| 22 | N | 84.2 | Confident | 84.3 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 53 | 36 | 179.4 | -61.2 | -21.2 | 0 | 0 | 0 | 112.3 | V24 N55 | N22-V24 PolarHBondContact O-N 2.83Å; N22-N55 CarbonylContact C-O 3.29Å; N22-N55 PolarHBondContact N-O 3.3Å |
| 23 | F | 83.7 | Confident | 84.4 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | trans | -77.1 | 112.5 | -177.6 | -170.8 | -91.9 | 0 | 0 | 0 | 110.9 | I20 H21 Y32 T51 N55 L57 V87 W105 | I20-F23 HydrophobicContact CB-CD2 4.29Å; I20-F23 HydrophobicContact CD1-CD2 4.39Å; I20-F23 HydrophobicContact CG2-CB 4.42Å; I20-F23 HydrophobicContact CG2-CD2 3.96Å; H21-F23 PolarHBondContact O-N 3.34Å; F23-Y32 HydrophobicContact CE1-CD1 4.21Å; F23-Y32 HydrophobicContact CE1-CD2 4.15Å; F23-Y32 AromaticContact CE1-CE1 3.9Å; F23-Y32 HydrophobicContact CE1-CE1 3.9Å; F23-Y32 AromaticContact CE1-CE2 3.87Å; F23-Y32 HydrophobicContact CE1-CE2 3.87Å; F23-Y32 HydrophobicContact CE1-CG 4.31Å; F23-Y32 AromaticContact CE1-CZ 3.7Å; F23-Y32 AromaticContact CZ-CD1 3.57Å; F23-Y32 HydrophobicContact CZ-CD1 3.57Å; F23-Y32 HydrophobicContact CZ-CD2 4.22Å; F23-Y32 AromaticContact CZ-CE1 3.53Å; F23-Y32 HydrophobicContact CZ-CE1 3.53Å; F23-Y32 HydrophobicContact CZ-CE2 4.22Å; F23-Y32 AromaticContact CZ-CG 3.9Å; F23-Y32 HydrophobicContact CZ-CG 3.9Å; F23-Y32 AromaticContact CZ-CZ 3.86Å; F23-T51 HydrophobicContact CD1-CG2 3.79Å; F23-T51 HydrophobicContact CE1-CG2 3.55Å; F23-N55 PolarHBondContact N-O 3.42Å; F23-L57 HydrophobicContact CB-CB 4.33Å; F23-L57 HydrophobicContact CD1-CB 4.21Å; F23-L57 HydrophobicContact CD2-CB 4.16Å; F23-L57 HydrophobicContact CD2-CD2 4.35Å; F23-L57 HydrophobicContact CE1-CD2 4.49Å; F23-L57 HydrophobicContact CE2-CD2 3.99Å; F23-L57 HydrophobicContact CG-CB 3.96Å; F23-L57 HydrophobicContact CZ-CD2 4.07Å; F23-V87 HydrophobicContact CE2-CG1 4.49Å; F23-W105 AromaticContact CD2-CH2 3.44Å; F23-W105 HydrophobicContact CD2-CH2 3.44Å; F23-W105 VanDerWaalsContact CD2-CH2 3.44Å; F23-W105 AromaticContact CD2-CZ2 3.74Å; F23-W105 HydrophobicContact CD2-CZ2 3.74Å; F23-W105 AromaticContact CD2-CZ3 3.98Å; F23-W105 HydrophobicContact CD2-CZ3 3.98Å; F23-W105 HydrophobicContact CE1-CZ2 4.35Å; F23-W105 AromaticContact CE2-CD2 3.93Å; F23-W105 HydrophobicContact CE2-CD2 3.93Å; F23-W105 AromaticContact CE2-CE2 3.69Å; F23-W105 AromaticContact CE2-CE3 3.87Å; F23-W105 HydrophobicContact CE2-CE3 3.87Å; F23-W105 AromaticContact CE2-CH2 3.34Å; F23-W105 HydrophobicContact CE2-CH2 3.34Å; F23-W105 AromaticContact CE2-CZ2 3.41Å; F23-W105 HydrophobicContact CE2-CZ2 3.41Å; F23-W105 VanDerWaalsContact CE2-CZ2 3.41Å; F23-W105 AromaticContact CE2-CZ3 3.6Å; F23-W105 HydrophobicContact CE2-CZ3 3.6Å; F23-W105 HydrophobicContact CG-CH2 4.33Å; F23-W105 HydrophobicContact CG-CZ2 4.36Å; F23-W105 HydrophobicContact CZ-CD2 4.14Å; F23-W105 AromaticContact CZ-CE2 3.72Å; F23-W105 HydrophobicContact CZ-CH2 4.16Å; F23-W105 AromaticContact CZ-CZ2 3.74Å; F23-W105 HydrophobicContact CZ-CZ2 3.74Å | ||
| 24 | V | 78.7 | Confident | 84.4 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | trans | -91.9 | 110.3 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | N22 W105 | N22-V24 PolarHBondContact O-N 2.83Å; V24-W105 WeakPolarHBondContact O-CZ2 3.33Å | ||
| 25 | K | 72.5 | Confident | 84.4 | Confident | 115 Ų | 115 | 44.8 Ų | 44.8 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | trans | -63.6 | 137.8 | 173.5 | 64.2 | 171.8 | -178.1 | 165.7 | 0 | 111.5 | D28 | K25-D28 IonicContact NZ-OD1 3.47Å; K25-D28 PolarHBondContact NZ-OD1 2.94Å | ||
| 26 | V | 68.2 | Low | 84.3 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -93.8 | -31.5 | -179.4 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | Y32 | V26-Y32 PolarHBondContact N-OH 3.37Š|
| 27 | G | 67.1 | Low | 84.2 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -151.4 | 153.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 28 | D | 66.7 | Low | 84.1 | Confident | 136 Ų | 136 | 44 Ų | 44 | 73% | 0.727 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 126.3 | 178.7 | -71.4 | -34 | 0 | 0 | 0 | 111 | K25 | K25-D28 IonicContact NZ-OD1 3.47Å; K25-D28 PolarHBondContact NZ-OD1 2.94Å |
| 29 | G | 70.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 4.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L92 | G29-L92 WeakPolarHBondContact O-CD1 3.39Š|
| 30 | S | 81.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -67 | 138.4 | 169.7 | -69.4 | 0 | 0 | 0 | 0 | 111 | Y32 E89 | S30-Y32 WeakPolarHBondContact O-CE2 3.48Å; S30-E89 WeakPolarHBondContact CB-OE1 3.4Å; S30-E89 PolarHBondContact OG-OE1 2.92Å | ||
| 31 | K | 86.4 | Confident | 82.9 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 149.1 | 170.9 | -56.4 | -152.8 | 172.9 | -119.6 | 0 | 110.6 | K48 D50 H90 | K31-K48 HydrophobicContact CB-CB 4.13Å; K31-K48 HydrophobicContact CD-CB 4.14Å; K31-D50 WeakPolarHBondContact CD-OD1 3.07Å; K31-D50 WeakPolarHBondContact CE-OD1 3.4Å; K31-D50 WeakPolarHBondContact CG-OD1 3.23Å; K31-D50 VanDerWaalsContact NZ-CG 3.26Å; K31-D50 IonicContact NZ-OD1 2.81Å; K31-D50 PolarHBondContact NZ-OD1 2.97Å; K31-D50 IonicContact NZ-OD2 2.88Å; K31-D50 PolarHBondContact NZ-OD2 3.47Å; K31-H90 PolarHBondContact N-O 3.47Å; K31-H90 VanDerWaalsContact N-O 3.09Å; K31-H90 WeakPolarHBondContact O-CB 3.31Å; K31-H90 PolarHBondContact O-N 3.48Å |
| 32 | Y | 90.9 | Very high | 83 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 144.6 | -178.7 | -58.2 | -88.6 | 0 | 0 | 0 | 110.8 | F23 V26 S30 K48 C49 T51 L57 Y88 E89 W105 | F23-Y32 HydrophobicContact CE1-CD1 4.21Å; F23-Y32 HydrophobicContact CE1-CD2 4.15Å; F23-Y32 AromaticContact CE1-CE1 3.9Å; F23-Y32 HydrophobicContact CE1-CE1 3.9Å; F23-Y32 AromaticContact CE1-CE2 3.87Å; F23-Y32 HydrophobicContact CE1-CE2 3.87Å; F23-Y32 HydrophobicContact CE1-CG 4.31Å; F23-Y32 AromaticContact CE1-CZ 3.7Å; F23-Y32 AromaticContact CZ-CD1 3.57Å; F23-Y32 HydrophobicContact CZ-CD1 3.57Å; F23-Y32 HydrophobicContact CZ-CD2 4.22Å; F23-Y32 AromaticContact CZ-CE1 3.53Å; F23-Y32 HydrophobicContact CZ-CE1 3.53Å; F23-Y32 HydrophobicContact CZ-CE2 4.22Å; F23-Y32 AromaticContact CZ-CG 3.9Å; F23-Y32 HydrophobicContact CZ-CG 3.9Å; F23-Y32 AromaticContact CZ-CZ 3.86Å; V26-Y32 PolarHBondContact N-OH 3.37Å; S30-Y32 WeakPolarHBondContact O-CE2 3.48Å; Y32-K48 CarbonylContact O-C 3.57Å; Y32-K48 VanDerWaalsContact O-CA 3.31Å; Y32-K48 WeakPolarHBondContact O-CA 3.47Å; Y32-C49 PolarHBondContact N-O 2.88Å; Y32-C49 PolarHBondContact O-N 2.79Å; Y32-C49 PolarHBondContact O-SG 3.01Å; Y32-T51 HydrophobicContact CD2-CG2 3.66Å; Y32-T51 HydrophobicContact CE2-CG2 3.32Å; Y32-L57 HydrophobicContact CD2-CD1 4.43Å; Y32-L57 HydrophobicContact CG-CD2 4.32Å; Y32-Y88 VanDerWaalsContact CA-O 3.31Å; Y32-Y88 WeakPolarHBondContact CA-O 3.24Å; Y32-E89 HydrophobicContact CD1-CB 4.14Å; Y32-E89 HydrophobicContact CD1-CG 4.29Å; Y32-E89 HydrophobicContact CE1-CB 3.92Å; Y32-E89 HydrophobicContact CE1-CG 3.73Å; Y32-W105 AromaticContact CE1-CD1 3.9Å; Y32-W105 HydrophobicContact CE1-CG 4.44Å |
| 33 | S | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.3 | 169.8 | 64.3 | 0 | 0 | 0 | 0 | 110 | E45 V87 Y88 H90 | S33-E45 VanDerWaalsContact CB-OE1 3.31Å; S33-E45 WeakPolarHBondContact CB-OE1 3.39Å; S33-E45 PolarHBondContact OG-OE1 3.21Å; S33-V87 WeakPolarHBondContact O-CA 3.48Å; S33-Y88 PolarHBondContact N-O 2.99Å; S33-Y88 PolarHBondContact O-N 3.35Å; S33-H90 PolarHBondContact OG-NE2 2.9Å |
| 34 | V | 93.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.6 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | L17 E45 S46 I59 F63 L85 T86 V87 | L17-V34 HydrophobicContact CD1-CG1 4.09Å; V34-E45 CarbonylContact O-C 3.53Å; V34-E45 WeakPolarHBondContact O-CA 3.29Å; V34-S46 PolarHBondContact N-OG 3.12Å; V34-S46 PolarHBondContact O-N 3.2Å; V34-I59 HydrophobicContact CG2-CD1 3.41Å; V34-I59 VanDerWaalsContact CG2-CD1 3.41Å; V34-F63 HydrophobicContact CG1-CZ 4.39Å; V34-F63 WeakPolarHBondContact O-CZ 3.4Å; V34-L85 HydrophobicContact CG1-CD1 3.75Å; V34-L85 HydrophobicContact CG1-CD2 3.86Å; V34-L85 HydrophobicContact CG1-CG 3.6Å; V34-T86 CarbonylContact C-O 3.48Å; V34-T86 WeakPolarHBondContact CA-O 3.49Å; V34-V87 HydrophobicContact CG2-CG1 4.43Å; V34-V87 HydrophobicContact CG2-CG2 4.07Å |
| 35 | K | 94 | Very high | 84.3 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.8 | 174.3 | -168.2 | -173.9 | -174.2 | -169.7 | 0 | 109.5 | E37 S42 G44 E45 T86 Y88 | K35-E37 HydrophobicContact CD-CG 4.23Å; K35-E37 WeakPolarHBondContact CE-OE1 3.14Å; K35-E37 HydrophobicContact CG-CG 4.33Å; K35-E37 IonicContact NZ-OE1 3.87Å; K35-E37 PolarHBondContact NZ-OE1 2.89Å; K35-S42 VanDerWaalsContact CE-OG 3.31Å; K35-S42 WeakPolarHBondContact CE-OG 3.13Å; K35-G44 WeakPolarHBondContact CA-O 3.37Å; K35-G44 WeakPolarHBondContact CG-O 3.22Å; K35-E45 HydrophobicContact CB-CB 4.49Å; K35-E45 HydrophobicContact CB-CG 4.31Å; K35-E45 HydrophobicContact CG-CB 4.42Å; K35-T86 PolarHBondContact N-O 2.78Å; K35-T86 PolarHBondContact O-N 2.98Å; K35-Y88 HydrophobicContact CB-CD2 4.29Å; K35-Y88 HydrophobicContact CB-CE2 3.85Å; K35-Y88 HydrophobicContact CD-CE2 4.17Å |
| 36 | L | 94.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.7 | 175 | -172.7 | 69.8 | 0 | 0 | 0 | 110 | I15 C43 G44 F63 F83 L85 F110 | I15-L36 HydrophobicContact CB-CD2 3.97Å; I15-L36 HydrophobicContact CD1-CD2 3.82Å; I15-L36 HydrophobicContact CG1-CD2 4.11Å; I15-L36 HydrophobicContact CG2-CD2 3.99Å; L36-C43 HydrophobicContact CB-CB 4.03Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.07Å; L36-C43 WeakPolarHBondContact O-CB 3.41Å; L36-C43 PolarHBondContact O-N 3.47Å; L36-G44 PolarHBondContact N-O 3.37Å; L36-G44 VanDerWaalsContact N-O 3.08Å; L36-F63 HydrophobicContact CB-CD1 3.85Å; L36-F63 HydrophobicContact CB-CD2 3.98Å; L36-F63 HydrophobicContact CB-CE1 3.98Å; L36-F63 HydrophobicContact CB-CE2 4.1Å; L36-F63 HydrophobicContact CB-CG 3.85Å; L36-F63 HydrophobicContact CB-CZ 4.09Å; L36-F63 HydrophobicContact CD2-CB 3.62Å; L36-F63 HydrophobicContact CD2-CD1 4.49Å; L36-F63 HydrophobicContact CD2-CD2 3.85Å; L36-F63 HydrophobicContact CD2-CG 3.74Å; L36-F63 HydrophobicContact CG-CG 4.46Å; L36-F83 HydrophobicContact CD1-CB 4.12Å; L36-F83 HydrophobicContact CD1-CD1 4.37Å; L36-F83 HydrophobicContact CD2-CD1 4.26Å; L36-F83 HydrophobicContact CG-CD1 4.3Å; L36-L85 HydrophobicContact CD1-CB 4.43Å; L36-L85 HydrophobicContact CD1-CD1 4.27Å; L36-F110 HydrophobicContact CD1-CE1 3.91Å; L36-F110 HydrophobicContact CD1-CZ 4.13Å |
| 37 | E | 93 | Very high | 86.2 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.5 | 178.3 | -60.1 | -178.4 | 146.5 | 0 | 0 | 110.4 | K35 F41 F83 V84 S231 | K35-E37 HydrophobicContact CD-CG 4.23Å; K35-E37 WeakPolarHBondContact CE-OE1 3.14Å; K35-E37 HydrophobicContact CG-CG 4.33Å; K35-E37 IonicContact NZ-OE1 3.87Å; K35-E37 PolarHBondContact NZ-OE1 2.89Å; E37-F41 CarbonylContact C-O 3.59Å; E37-F41 WeakPolarHBondContact CA-O 3.39Å; E37-F83 CarbonylContact O-C 3.57Å; E37-F83 VanDerWaalsContact O-CA 3.29Å; E37-F83 WeakPolarHBondContact O-CA 3.27Å; E37-V84 PolarHBondContact N-O 3.26Å; E37-V84 PolarHBondContact O-N 2.91Å; E37-S231 WeakPolarHBondContact OE2-CB 3.47Å; E37-S231 PolarHBondContact OE2-OG 3.36Å |
| 38 | H | 90.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 111.8 | 173 | 179.6 | 74.1 | 0 | 0 | 0 | 109.6 | D40 F41 Y65 S77 K81 P82 F83 | H38-D40 PolarHBondContact O-N 3.44Å; H38-F41 PolarHBondContact N-O 2.97Å; H38-F41 WeakPolarHBondContact O-CB 3.5Å; H38-F41 PolarHBondContact O-N 2.9Å; H38-Y65 HydrophobicContact CB-CE2 4.33Å; H38-Y65 AromaticContact CD2-CZ 3.63Å; H38-Y65 PolarHBondContact CD2-OH 3.35Å; H38-Y65 VanDerWaalsContact CD2-OH 3.31Å; H38-S77 PolarHBondContact CE1-O 2.65Å; H38-S77 VanDerWaalsContact CE1-O 3.25Å; H38-S77 PolarHBondContact NE2-O 3.13Å; H38-S77 PolarHBondContact NE2-OG 3.17Å; H38-K81 PolarHBondContact CE1-O 2.95Å; H38-P82 PolarHBondContact ND1-O 3.48Å; H38-F83 HydrophobicContact CB-CD1 3.69Å; H38-F83 HydrophobicContact CB-CE1 3.63Å; H38-F83 HydrophobicContact CB-CG 4.39Å; H38-F83 HydrophobicContact CB-CZ 4.28Å; H38-F83 AromaticContact CG-CE1 3.9Å; H38-F83 AromaticContact ND1-CD2 3.89Å; H38-F83 AromaticContact ND1-CE2 3.81Å; H38-F83 AromaticContact ND1-CZ 3.88Å |
| 39 | G | 82.2 | Confident | 88 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -121.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 40 | D | 78.5 | Confident | 88.4 | Confident | 167 Ų | 167 | 50.3 Ų | 50.3 | 89% | 0.893 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -0.7 | 177.2 | -55.1 | -51.4 | 0 | 0 | 0 | 112.7 | H38 | H38-D40 PolarHBondContact O-N 3.44Š|
| 41 | F | 85.1 | Confident | 87.9 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.9 | -176.2 | -173.5 | -93.7 | 0 | 0 | 0 | 111.3 | E37 H38 Y65 | E37-F41 CarbonylContact C-O 3.59Å; E37-F41 WeakPolarHBondContact CA-O 3.39Å; H38-F41 PolarHBondContact N-O 2.97Å; H38-F41 WeakPolarHBondContact O-CB 3.5Å; H38-F41 PolarHBondContact O-N 2.9Å; F41-Y65 HydrophobicContact CB-CE2 4.47Å; F41-Y65 AromaticContact CD1-CD2 3.68Å; F41-Y65 HydrophobicContact CD1-CD2 3.68Å; F41-Y65 AromaticContact CD1-CE2 3.55Å; F41-Y65 HydrophobicContact CD1-CE2 3.55Å; F41-Y65 AromaticContact CE1-CD2 3.8Å; F41-Y65 HydrophobicContact CE1-CD2 3.8Å; F41-Y65 HydrophobicContact CE1-CE2 4.03Å; F41-Y65 HydrophobicContact CG-CE2 4.15Å |
| 42 | S | 88.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.9 | 174.5 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | K35 G44 | K35-S42 VanDerWaalsContact CE-OG 3.31Å; K35-S42 WeakPolarHBondContact CE-OG 3.13Å; S42-G44 VanDerWaalsContact C-N 3.28Å; S42-G44 PolarHBondContact O-N 3.26Å |
| 43 | C | 89.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -18.6 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | L36 F63 | L36-C43 HydrophobicContact CB-CB 4.03Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.07Å; L36-C43 WeakPolarHBondContact O-CB 3.41Å; L36-C43 PolarHBondContact O-N 3.47Å; C43-F63 HydrophobicContact CB-CB 4.42Å |
| 44 | G | 91.2 | Very high | 84.8 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.1 | -177 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | K35 L36 S42 F63 | K35-G44 WeakPolarHBondContact CA-O 3.37Å; K35-G44 WeakPolarHBondContact CG-O 3.22Å; L36-G44 PolarHBondContact N-O 3.37Å; L36-G44 VanDerWaalsContact N-O 3.08Å; S42-G44 VanDerWaalsContact C-N 3.28Å; S42-G44 PolarHBondContact O-N 3.26Å; G44-F63 WeakPolarHBondContact O-CE1 3.34Å |
| 45 | E | 92.8 | Very high | 84.1 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.5 | 174 | -170.3 | 178.9 | 168.8 | 0 | 0 | 109.6 | S33 V34 K35 H90 | S33-E45 VanDerWaalsContact CB-OE1 3.31Å; S33-E45 WeakPolarHBondContact CB-OE1 3.39Å; S33-E45 PolarHBondContact OG-OE1 3.21Å; V34-E45 CarbonylContact O-C 3.53Å; V34-E45 WeakPolarHBondContact O-CA 3.29Å; K35-E45 HydrophobicContact CB-CB 4.49Å; K35-E45 HydrophobicContact CB-CG 4.31Å; K35-E45 HydrophobicContact CG-CB 4.42Å; E45-H90 IonicContact OE1-NE2 3.27Å |
| 46 | S | 92.8 | Very high | 83.5 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 163.8 | 178.2 | 78.5 | 0 | 0 | 0 | 0 | 111.6 | V34 | V34-S46 PolarHBondContact N-OG 3.12Å; V34-S46 PolarHBondContact O-N 3.2Å |
| 47 | Q | 87.8 | Confident | 83.1 | Confident | 168 Ų | 168 | 70.8 Ų | 70.8 | 79% | 0.785 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 153.1 | 167.6 | -63.2 | -175.3 | 3 | 0 | 0 | 110.6 | C49 | Q47-C49 PolarHBondContact O-N 2.72Š|
| 48 | K | 87.7 | Confident | 82.7 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 118.4 | 176.9 | -60.8 | -171.1 | -172.8 | -165.8 | 0 | 109.6 | K31 Y32 H90 | K31-K48 HydrophobicContact CB-CB 4.13Å; K31-K48 HydrophobicContact CD-CB 4.14Å; Y32-K48 CarbonylContact O-C 3.57Å; Y32-K48 VanDerWaalsContact O-CA 3.31Å; Y32-K48 WeakPolarHBondContact O-CA 3.47Å; K48-H90 PolarHBondContact NZ-CE1 3.36Å; K48-H90 PolarHBondContact NZ-ND1 3.02Å |
| 49 | C | 84.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 74.5 Ų | 74.5 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -111.9 | 154.4 | -179.1 | 38.2 | 0 | 0 | 0 | 0 | 111.3 | Y32 Q47 | Y32-C49 PolarHBondContact N-O 2.88Å; Y32-C49 PolarHBondContact O-N 2.79Å; Y32-C49 PolarHBondContact O-SG 3.01Å; Q47-C49 PolarHBondContact O-N 2.72Å |
| 50 | D | 80.1 | Confident | 82.7 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 152.7 | 175.7 | -59.8 | -45.7 | 0 | 0 | 0 | 109.2 | K31 | K31-D50 WeakPolarHBondContact CD-OD1 3.07Å; K31-D50 WeakPolarHBondContact CE-OD1 3.4Å; K31-D50 WeakPolarHBondContact CG-OD1 3.23Å; K31-D50 VanDerWaalsContact NZ-CG 3.26Å; K31-D50 IonicContact NZ-OD1 2.81Å; K31-D50 PolarHBondContact NZ-OD1 2.97Å; K31-D50 IonicContact NZ-OD2 2.88Å; K31-D50 PolarHBondContact NZ-OD2 3.47Å |
| 51 | T | 71.8 | Confident | 83.4 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 140.5 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | F23 Y32 L57 | F23-T51 HydrophobicContact CD1-CG2 3.79Å; F23-T51 HydrophobicContact CE1-CG2 3.55Å; Y32-T51 HydrophobicContact CD2-CG2 3.66Å; Y32-T51 HydrophobicContact CE2-CG2 3.32Å; T51-L57 HydrophobicContact CG2-CD1 4.02Å |
| 52 | N | 68.2 | Low | 83.9 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 164 | 170.9 | -72.5 | -10.4 | 0 | 0 | 0 | 111.6 | D54 E56 I58 | N52-D54 PolarHBondContact O-N 3.44Å; N52-E56 PolarHBondContact N-O 3.33Å; N52-I58 VanDerWaalsContact ND2-CD1 3.34Å; N52-I58 WeakPolarHBondContact ND2-CD1 3.45Å |
| 53 | N | 66.1 | Low | 84.3 | Confident | 161 Ų | 161 | 68.3 Ų | 68.3 | 86% | 0.861 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.9 | -179.5 | -73.9 | -17 | 0 | 0 | 0 | 114 | N55 | N53-N55 PolarHBondContact O-N 2.84Š|
| 54 | D | 68.6 | Low | 84.4 | Confident | 133 Ų | 133 | 73.6 Ų | 73.6 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 26.1 | -170 | -61.7 | -31.4 | 0 | 0 | 0 | 114.2 | N52 E56 | N52-D54 PolarHBondContact O-N 3.44Å; D54-E56 PolarHBondContact O-N 3.31Å |
| 55 | N | 78.6 | Confident | 84.4 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 57% | 0.572 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 55.3 | 28.6 | -173.6 | -62.4 | -30.8 | 0 | 0 | 0 | 113.7 | N22 F23 N53 | N22-N55 CarbonylContact C-O 3.29Å; N22-N55 PolarHBondContact N-O 3.3Å; F23-N55 PolarHBondContact N-O 3.42Å; N53-N55 PolarHBondContact O-N 2.84Å |
| 56 | E | 82.5 | Confident | 84.2 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | -122.2 | 144.8 | 176.1 | -65 | -167 | 164.2 | 0 | 0 | 111 | R19 I20 H21 N52 D54 | R19-E56 IonicContact NH1-OE2 3.12Å; I20-E56 VanDerWaalsContact O-CA 3.32Å; I20-E56 WeakPolarHBondContact O-CA 3.4Å; H21-E56 IonicContact CE1-OE1 3.45Å; H21-E56 PolarHBondContact CE1-OE1 3.02Å; H21-E56 VanDerWaalsContact CE1-OE1 3.27Å; H21-E56 IonicContact ND1-OE1 3.77Å; H21-E56 PolarHBondContact ND1-OE1 2.96Å; N52-E56 PolarHBondContact N-O 3.33Å; D54-E56 PolarHBondContact O-N 3.31Å | ||
| 57 | L | 84.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.3 | 168.4 | -175.2 | 68.8 | 0 | 0 | 0 | 109 | R19 I20 F23 Y32 T51 I59 | R19-L57 CarbonylContact C-O 3.48Å; R19-L57 VanDerWaalsContact CA-O 3.3Å; R19-L57 WeakPolarHBondContact CA-O 3.38Å; I20-L57 HydrophobicContact CB-CB 4.23Å; I20-L57 HydrophobicContact CD1-CD2 4.06Å; I20-L57 HydrophobicContact CG1-CB 4.47Å; I20-L57 PolarHBondContact N-O 3.17Å; I20-L57 PolarHBondContact O-N 2.92Å; F23-L57 HydrophobicContact CB-CB 4.33Å; F23-L57 HydrophobicContact CD1-CB 4.21Å; F23-L57 HydrophobicContact CD2-CB 4.16Å; F23-L57 HydrophobicContact CD2-CD2 4.35Å; F23-L57 HydrophobicContact CE1-CD2 4.49Å; F23-L57 HydrophobicContact CE2-CD2 3.99Å; F23-L57 HydrophobicContact CG-CB 3.96Å; F23-L57 HydrophobicContact CZ-CD2 4.07Å; Y32-L57 HydrophobicContact CD2-CD1 4.43Å; Y32-L57 HydrophobicContact CG-CD2 4.32Å; T51-L57 HydrophobicContact CG2-CD1 4.02Å; L57-I59 HydrophobicContact CD2-CD1 3.86Å; L57-I59 HydrophobicContact CD2-CG1 4.07Å; L57-I59 HydrophobicContact CG-CD1 4.2Å; L57-I59 HydrophobicContact CG-CG1 3.95Å |
| 58 | I | 84.5 | Confident | 83.5 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 41% | 0.41 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.6 | 174.7 | -55.2 | 178.7 | 0 | 0 | 0 | 108 | N52 | N52-I58 VanDerWaalsContact ND2-CD1 3.34Å; N52-I58 WeakPolarHBondContact ND2-CD1 3.45Å |
| 59 | I | 85.8 | Confident | 82.8 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -42.1 | -177 | -66.1 | 164 | 0 | 0 | 0 | 110.7 | L17 Q18 I20 V34 L57 H61 | L17-I59 HydrophobicContact CD2-CB 3.49Å; L17-I59 VanDerWaalsContact CD2-CB 3.49Å; L17-I59 HydrophobicContact CD2-CD1 3.31Å; L17-I59 HydrophobicContact CD2-CG1 3.94Å; L17-I59 HydrophobicContact CD2-CG2 3.8Å; Q18-I59 PolarHBondContact O-N 3.47Å; Q18-I59 VanDerWaalsContact O-N 3.12Å; I20-I59 HydrophobicContact CD1-CD1 3.73Å; I20-I59 HydrophobicContact CG1-CD1 3.96Å; V34-I59 HydrophobicContact CG2-CD1 3.41Å; V34-I59 VanDerWaalsContact CG2-CD1 3.41Å; L57-I59 HydrophobicContact CD2-CD1 3.86Å; L57-I59 HydrophobicContact CD2-CG1 4.07Å; L57-I59 HydrophobicContact CG-CD1 4.2Å; L57-I59 HydrophobicContact CG-CG1 3.95Å; I59-H61 HydrophobicContact CG2-CB 3.64Å; I59-H61 PolarHBondContact O-N 3.46Å |
| 60 | D | 88.4 | Confident | 81.9 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 44.4 | 56.7 | 179.6 | -166.2 | 28.4 | 0 | 0 | 0 | 112.9 | H16 L17 Q18 | H16-D60 IonicContact CD2-OD1 3.78Å; H16-D60 IonicContact CE1-OD1 2.8Å; H16-D60 PolarHBondContact CE1-OD1 2.98Å; H16-D60 IonicContact NE2-OD1 2.79Å; H16-D60 PolarHBondContact NE2-OD1 3.45Å; L17-D60 CarbonylContact O-C 3.58Å; L17-D60 VanDerWaalsContact O-CA 3.3Å; L17-D60 WeakPolarHBondContact O-CA 3.46Å; L17-D60 PolarHBondContact O-N 2.7Å; Q18-D60 PolarHBondContact O-N 2.9Å |
| 61 | H | 93.7 | Very high | 81.3 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.2 | -175.9 | -167.6 | 74.4 | 0 | 0 | 0 | 111.8 | L17 I59 F63 | L17-H61 PolarHBondContact N-O 3.25Å; L17-H61 PolarHBondContact O-N 2.94Å; I59-H61 HydrophobicContact CG2-CB 3.64Å; I59-H61 PolarHBondContact O-N 3.46Å; H61-F63 AromaticContact CD2-CD1 3.86Å; H61-F63 AromaticContact CD2-CD2 4Å; H61-F63 AromaticContact CD2-CE1 3.57Å; H61-F63 AromaticContact CD2-CE2 3.73Å; H61-F63 AromaticContact CD2-CZ 3.51Å; H61-F63 AromaticContact NE2-CD1 3.99Å; H61-F63 AromaticContact NE2-CE1 3.81Å |
| 62 | V | 94.8 | Very high | 81.5 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.2 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | Q14 I15 H16 | Q14-V62 HydrophobicContact CB-CG1 4.04Å; Q14-V62 HydrophobicContact CG-CG1 4.48Å; I15-V62 WeakPolarHBondContact O-CA 3.48Å; H16-V62 HydrophobicContact CB-CG2 4.07Å |
| 63 | F | 95.8 | Very high | 82 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 145.4 | 168.4 | -59.9 | -82.7 | 0 | 0 | 0 | 110.1 | Q14 I15 V34 L36 C43 G44 H61 | Q14-F63 WeakPolarHBondContact CA-O 3.48Å; I15-F63 HydrophobicContact CB-CB 4.3Å; I15-F63 PolarHBondContact N-O 3.28Å; I15-F63 PolarHBondContact O-N 3.38Å; V34-F63 HydrophobicContact CG1-CZ 4.39Å; V34-F63 WeakPolarHBondContact O-CZ 3.4Å; L36-F63 HydrophobicContact CB-CD1 3.85Å; L36-F63 HydrophobicContact CB-CD2 3.98Å; L36-F63 HydrophobicContact CB-CE1 3.98Å; L36-F63 HydrophobicContact CB-CE2 4.1Å; L36-F63 HydrophobicContact CB-CG 3.85Å; L36-F63 HydrophobicContact CB-CZ 4.09Å; L36-F63 HydrophobicContact CD2-CB 3.62Å; L36-F63 HydrophobicContact CD2-CD1 4.49Å; L36-F63 HydrophobicContact CD2-CD2 3.85Å; L36-F63 HydrophobicContact CD2-CG 3.74Å; L36-F63 HydrophobicContact CG-CG 4.46Å; C43-F63 HydrophobicContact CB-CB 4.42Å; G44-F63 WeakPolarHBondContact O-CE1 3.34Å; H61-F63 AromaticContact CD2-CD1 3.86Å; H61-F63 AromaticContact CD2-CD2 4Å; H61-F63 AromaticContact CD2-CE1 3.57Å; H61-F63 AromaticContact CD2-CE2 3.73Å; H61-F63 AromaticContact CD2-CZ 3.51Å; H61-F63 AromaticContact NE2-CD1 3.99Å; H61-F63 AromaticContact NE2-CE1 3.81Å |
| 64 | K | 92 | Very high | 82.7 | Confident | 130 Ų | 130 | 65.3 Ų | 65.3 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.5 | 175.3 | -66.6 | -177.4 | 179.8 | -178.8 | 0 | 109.6 | T12 I13 | T12-K64 HydrophobicContact CG2-CB 4.04Å; T12-K64 HydrophobicContact CG2-CD 4.31Å; T12-K64 HydrophobicContact CG2-CG 4.23Å; I13-K64 WeakPolarHBondContact O-CA 3.49Å |
| 65 | Y | 92.3 | Very high | 83.6 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.8 | 174.6 | -179.4 | -112.2 | 0 | 0 | 0 | 109.5 | I13 H38 F41 L67 L78 F83 | I13-Y65 HydrophobicContact CD1-CD1 4.16Å; I13-Y65 PolarHBondContact N-O 3.47Å; I13-Y65 PolarHBondContact O-N 3.31Å; H38-Y65 HydrophobicContact CB-CE2 4.33Å; H38-Y65 AromaticContact CD2-CZ 3.63Å; H38-Y65 PolarHBondContact CD2-OH 3.35Å; H38-Y65 VanDerWaalsContact CD2-OH 3.31Å; F41-Y65 HydrophobicContact CB-CE2 4.47Å; F41-Y65 AromaticContact CD1-CD2 3.68Å; F41-Y65 HydrophobicContact CD1-CD2 3.68Å; F41-Y65 AromaticContact CD1-CE2 3.55Å; F41-Y65 HydrophobicContact CD1-CE2 3.55Å; F41-Y65 AromaticContact CE1-CD2 3.8Å; F41-Y65 HydrophobicContact CE1-CD2 3.8Å; F41-Y65 HydrophobicContact CE1-CE2 4.03Å; F41-Y65 HydrophobicContact CG-CE2 4.15Å; Y65-L67 HydrophobicContact CE1-CB 4.43Å; Y65-L67 HydrophobicContact CE1-CD1 3.8Å; Y65-L78 HydrophobicContact CD1-CD2 4.34Å; Y65-L78 HydrophobicContact CE1-CD2 3.93Å; Y65-F83 HydrophobicContact CD1-CE1 4.16Å; Y65-F83 AromaticContact CD1-CZ 3.9Å; Y65-F83 HydrophobicContact CD1-CZ 3.9Å; Y65-F83 HydrophobicContact CE1-CZ 4.3Å; Y65-F83 HydrophobicContact CG-CE1 4.11Å; Y65-F83 HydrophobicContact CG-CZ 4.31Å |
| 66 | E | 87.5 | Confident | 84 | Confident | 135 Ų | 135 | 55.1 Ų | 55.1 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.3 | 179.7 | -66.4 | -176.9 | 176.8 | 0 | 0 | 110.2 | ||
| 67 | L | 86 | Confident | 84.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130 | -178.7 | -169.9 | 85.2 | 0 | 0 | 0 | 110.7 | L10 R11 Y65 S74 V75 L78 L153 | L10-L67 WeakPolarHBondContact CA-O 3.49Å; R11-L67 PolarHBondContact N-O 3.39Å; R11-L67 PolarHBondContact O-N 3.41Å; Y65-L67 HydrophobicContact CE1-CB 4.43Å; Y65-L67 HydrophobicContact CE1-CD1 3.8Å; L67-S74 WeakPolarHBondContact CD1-O 3.36Å; L67-V75 HydrophobicContact CD2-CG2 4.27Å; L67-L78 HydrophobicContact CD1-CD1 4.41Å; L67-L78 HydrophobicContact CD1-CG 4.28Å; L67-L78 HydrophobicContact CD2-CD1 3.62Å; L67-L78 HydrophobicContact CD2-CG 4.36Å; L67-L153 HydrophobicContact CD2-CD1 3.76Å |
| 68 | S | 80 | Confident | 84.4 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | K70 S74 | S68-K70 PolarHBondContact O-N 3.13Å; S68-K70 PolarHBondContact OG-N 3.15Å; S68-S74 VanDerWaalsContact O-CB 3.3Å; S68-S74 WeakPolarHBondContact O-CB 3.33Å |
| 69 | T | 72.7 | Confident | 84.5 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.9 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 113 | N9 R11 D71 L153 | N9-T69 WeakPolarHBondContact CB-OG1 3.35Å; N9-T69 PolarHBondContact O-N 3.18Å; N9-T69 VanDerWaalsContact O-N 3.08Å; N9-T69 PolarHBondContact O-OG1 3.47Å; R11-T69 HydrophobicContact CB-CG2 4.44Å; R11-T69 HydrophobicContact CG-CG2 3.7Å; T69-D71 VanDerWaalsContact C-N 3.3Å; T69-L153 HydrophobicContact CG2-CD1 4.27Å |
| 70 | K | 67.1 | Low | 84.6 | Confident | 144 Ų | 144 | 49.7 Ų | 49.7 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -31.1 | 174.5 | -70.1 | -172 | 175.3 | -176.5 | 0 | 112.5 | S68 | S68-K70 PolarHBondContact O-N 3.13Å; S68-K70 PolarHBondContact OG-N 3.15Å |
| 71 | D | 66.6 | Low | 84.6 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -104.6 | 111.8 | -179.4 | -171.5 | -6.2 | 0 | 0 | 0 | 109.1 | T69 S73 S74 | T69-D71 VanDerWaalsContact C-N 3.3Å; D71-S73 PolarHBondContact O-N 3.27Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 3.16Å; D71-S73 PolarHBondContact OD1-OG 3.46Å; D71-S73 PolarHBondContact OD2-OG 2.99Å; D71-S74 WeakPolarHBondContact O-CB 3.31Å; D71-S74 PolarHBondContact O-N 2.75Å |
| 72 | F | 75.8 | Confident | 84.5 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53.8 | -28.8 | 176.5 | -168.6 | -104.3 | 0 | 0 | 0 | 112.1 | S74 V75 D76 L162 L286 D288 | F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 3.26Å; F72-V75 PolarHBondContact O-N 3.17Å; F72-D76 PolarHBondContact O-N 3.01Å; F72-L162 HydrophobicContact CE2-CD2 3.54Å; F72-L162 HydrophobicContact CZ-CD2 3.96Å; F72-L286 HydrophobicContact CD2-CD2 4.11Å; F72-L286 HydrophobicContact CE1-CB 4.01Å; F72-L286 HydrophobicContact CE1-CD2 4.06Å; F72-L286 HydrophobicContact CE1-CG 4.14Å; F72-L286 HydrophobicContact CE2-CD2 3.35Å; F72-L286 HydrophobicContact CE2-CG 3.92Å; F72-L286 HydrophobicContact CZ-CB 3.81Å; F72-L286 HydrophobicContact CZ-CD2 3.35Å; F72-L286 HydrophobicContact CZ-CG 3.43Å; F72-L286 VanDerWaalsContact CZ-CG 3.43Å; F72-D288 HydrophobicContact CE2-CB 4.26Å; F72-D288 HydrophobicContact CZ-CB 4.04Å |
| 73 | S | 79.1 | Confident | 84.4 | Confident | 66 Ų | 66 | 42.7 Ų | 42.7 | 46% | 0.462 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.4 | -31.3 | 177.3 | 80.9 | 0 | 0 | 0 | 0 | 113.3 | D71 S77 | D71-S73 PolarHBondContact O-N 3.27Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 3.16Å; D71-S73 PolarHBondContact OD1-OG 3.46Å; D71-S73 PolarHBondContact OD2-OG 2.99Å; S73-S77 PolarHBondContact O-N 3.49Å |
| 74 | S | 81.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.5 | -42.5 | 178 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | L67 S68 D71 F72 S77 | L67-S74 WeakPolarHBondContact CD1-O 3.36Å; S68-S74 VanDerWaalsContact O-CB 3.3Å; S68-S74 WeakPolarHBondContact O-CB 3.33Å; D71-S74 WeakPolarHBondContact O-CB 3.31Å; D71-S74 PolarHBondContact O-N 2.75Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 3.26Å; S74-S77 VanDerWaalsContact O-CB 3.29Å; S74-S77 WeakPolarHBondContact O-CB 3.27Å; S74-S77 PolarHBondContact O-N 2.68Å |
| 75 | V | 86.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | L67 F72 S77 L78 V116 L153 L154 L286 | L67-V75 HydrophobicContact CD2-CG2 4.27Å; F72-V75 PolarHBondContact O-N 3.17Å; V75-S77 PolarHBondContact O-N 3.27Å; V75-L78 PolarHBondContact O-N 3.13Å; V75-V116 HydrophobicContact CG1-CG2 4.49Å; V75-L153 HydrophobicContact CG1-CD2 4.33Å; V75-L154 HydrophobicContact CG1-CD1 4.38Å; V75-L154 HydrophobicContact CG1-CD2 4.38Å; V75-L154 HydrophobicContact CG2-CD2 4.36Å; V75-L286 HydrophobicContact CB-CD2 4.43Å; V75-L286 HydrophobicContact CG1-CD2 3.94Å |
| 76 | D | 86.7 | Confident | 84.3 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -33.8 | 173.6 | -175.8 | 64.5 | 0 | 0 | 0 | 112.1 | F72 L78 C79 S80 R285 L286 | F72-D76 PolarHBondContact O-N 3.01Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 3.36Å; D76-C79 PolarHBondContact O-N 2.97Å; D76-C79 PolarHBondContact O-SG 3.36Å; D76-S80 VanDerWaalsContact O-CB 3.3Å; D76-S80 WeakPolarHBondContact O-CB 3.41Å; D76-S80 PolarHBondContact O-N 3.45Å; D76-S80 PolarHBondContact O-OG 3.35Å; D76-R285 WeakPolarHBondContact OD1-CA 3.31Å; D76-L286 HydrophobicContact CB-CB 4.31Å; D76-L286 PolarHBondContact OD1-N 3.44Å |
| 77 | S | 87.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 29 Ų | 29 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 176.6 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | H38 S73 S74 V75 C79 S80 K81 | H38-S77 PolarHBondContact CE1-O 2.65Å; H38-S77 VanDerWaalsContact CE1-O 3.25Å; H38-S77 PolarHBondContact NE2-O 3.13Å; H38-S77 PolarHBondContact NE2-OG 3.17Å; S73-S77 PolarHBondContact O-N 3.49Å; S74-S77 VanDerWaalsContact O-CB 3.29Å; S74-S77 WeakPolarHBondContact O-CB 3.27Å; S74-S77 PolarHBondContact O-N 2.68Å; V75-S77 PolarHBondContact O-N 3.27Å; S77-C79 VanDerWaalsContact C-N 3.26Å; S77-C79 PolarHBondContact O-N 3.2Å; S77-S80 WeakPolarHBondContact CA-OG 3.42Å; S77-S80 PolarHBondContact O-N 3.01Å; S77-K81 PolarHBondContact O-N 3.38Å |
| 78 | L | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -30 | -178.8 | -74.5 | 177.4 | 0 | 0 | 0 | 113.7 | I13 Y65 L67 V75 D76 F83 G112 V116 L153 | I13-L78 HydrophobicContact CD1-CD1 3.85Å; I13-L78 HydrophobicContact CD1-CD2 3.88Å; Y65-L78 HydrophobicContact CD1-CD2 4.34Å; Y65-L78 HydrophobicContact CE1-CD2 3.93Å; L67-L78 HydrophobicContact CD1-CD1 4.41Å; L67-L78 HydrophobicContact CD1-CG 4.28Å; L67-L78 HydrophobicContact CD2-CD1 3.62Å; L67-L78 HydrophobicContact CD2-CG 4.36Å; V75-L78 PolarHBondContact O-N 3.13Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 3.36Å; L78-F83 HydrophobicContact CD2-CE2 3.87Å; L78-F83 HydrophobicContact CD2-CZ 3.85Å; L78-G112 PolarHBondContact O-N 3.37Å; L78-G112 VanDerWaalsContact O-N 3.1Å; L78-V116 HydrophobicContact CB-CG2 4.17Å; L78-L153 HydrophobicContact CD1-CD2 3.76Å |
| 79 | C | 85.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -95.8 | -27.8 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | D76 S77 L113 R284 | D76-C79 PolarHBondContact O-N 2.97Å; D76-C79 PolarHBondContact O-SG 3.36Å; S77-C79 VanDerWaalsContact C-N 3.26Å; S77-C79 PolarHBondContact O-N 3.2Å; C79-L113 HydrophobicContact CB-CD1 4.29Å; C79-R284 WeakPolarHBondContact O-CB 3.47Å; C79-R284 WeakPolarHBondContact O-CD 3.23Å |
| 80 | S | 87.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 29.2 Ų | 29.2 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -92.2 | -19.1 | -174.4 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | D76 S77 R284 | D76-S80 VanDerWaalsContact O-CB 3.3Å; D76-S80 WeakPolarHBondContact O-CB 3.41Å; D76-S80 PolarHBondContact O-N 3.45Å; D76-S80 PolarHBondContact O-OG 3.35Å; S77-S80 WeakPolarHBondContact CA-OG 3.42Å; S77-S80 PolarHBondContact O-N 3.01Å; S80-R284 VanDerWaalsContact CB-O 3.31Å; S80-R284 WeakPolarHBondContact CB-O 3.27Å |
| 81 | K | 89.5 | Confident | 86.5 | Confident | 69 Ų | 69 | 25.7 Ų | 25.7 | 30% | 0.3 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -126.1 | 143.4 | 179 | -59.1 | -175.8 | -171 | 173.2 | 0 | 111.2 | H38 S77 | H38-K81 PolarHBondContact CE1-O 2.95Å; S77-K81 PolarHBondContact O-N 3.38Å |
| 82 | P | 91 | Very high | 86.7 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | trans | -76.8 | 154.7 | 176.5 | 27.6 | -28.5 | 0 | 0 | 0 | 112.3 | H38 V84 T109 F110 W226 | H38-P82 PolarHBondContact ND1-O 3.48Å; P82-V84 HydrophobicContact CB-CG2 4.48Å; P82-V84 HydrophobicContact CG-CG2 4.14Å; P82-T109 HydrophobicContact CB-CG2 4.15Å; P82-F110 CarbonylContact C-O 3.57Å; P82-F110 WeakPolarHBondContact CA-O 3.28Å; P82-W226 HydrophobicContact CB-CD2 3.77Å; P82-W226 HydrophobicContact CB-CE3 4.32Å; P82-W226 HydrophobicContact CB-CG 4.11Å; P82-W226 HydrophobicContact CB-CH2 4.43Å; P82-W226 HydrophobicContact CB-CZ2 3.88Å; P82-W226 HydrophobicContact CG-CB 4.29Å; P82-W226 HydrophobicContact CG-CD2 3.69Å; P82-W226 HydrophobicContact CG-CE3 4.14Å; P82-W226 HydrophobicContact CG-CG 3.71Å | ||
| 83 | F | 92.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.6 | 146.7 | -70.7 | -86.2 | 0 | 0 | 0 | 108.9 | I15 L36 E37 H38 Y65 L78 T109 F110 | I15-F83 HydrophobicContact CD1-CE1 4.12Å; L36-F83 HydrophobicContact CD1-CB 4.12Å; L36-F83 HydrophobicContact CD1-CD1 4.37Å; L36-F83 HydrophobicContact CD2-CD1 4.26Å; L36-F83 HydrophobicContact CG-CD1 4.3Å; E37-F83 CarbonylContact O-C 3.57Å; E37-F83 VanDerWaalsContact O-CA 3.29Å; E37-F83 WeakPolarHBondContact O-CA 3.27Å; H38-F83 HydrophobicContact CB-CD1 3.69Å; H38-F83 HydrophobicContact CB-CE1 3.63Å; H38-F83 HydrophobicContact CB-CG 4.39Å; H38-F83 HydrophobicContact CB-CZ 4.28Å; H38-F83 AromaticContact CG-CE1 3.9Å; H38-F83 AromaticContact ND1-CD2 3.89Å; H38-F83 AromaticContact ND1-CE2 3.81Å; H38-F83 AromaticContact ND1-CZ 3.88Å; Y65-F83 HydrophobicContact CD1-CE1 4.16Å; Y65-F83 AromaticContact CD1-CZ 3.9Å; Y65-F83 HydrophobicContact CD1-CZ 3.9Å; Y65-F83 HydrophobicContact CE1-CZ 4.3Å; Y65-F83 HydrophobicContact CG-CE1 4.11Å; Y65-F83 HydrophobicContact CG-CZ 4.31Å; L78-F83 HydrophobicContact CD2-CE2 3.87Å; L78-F83 HydrophobicContact CD2-CZ 3.85Å; F83-T109 VanDerWaalsContact O-CA 3.23Å; F83-T109 WeakPolarHBondContact O-CA 3.32Å; F83-F110 HydrophobicContact CB-CD1 3.87Å; F83-F110 HydrophobicContact CB-CD2 4.04Å; F83-F110 HydrophobicContact CB-CE1 3.49Å; F83-F110 VanDerWaalsContact CB-CE1 3.49Å; F83-F110 HydrophobicContact CB-CE2 3.67Å; F83-F110 HydrophobicContact CB-CG 4.14Å; F83-F110 HydrophobicContact CB-CZ 3.37Å; F83-F110 HydrophobicContact CD1-CZ 4.31Å; F83-F110 HydrophobicContact CD2-CD2 4.09Å; F83-F110 AromaticContact CD2-CE2 3.66Å; F83-F110 HydrophobicContact CD2-CE2 3.66Å; F83-F110 HydrophobicContact CD2-CZ 4.15Å; F83-F110 HydrophobicContact CE2-CE2 4.49Å; F83-F110 HydrophobicContact CG-CD2 4.35Å; F83-F110 HydrophobicContact CG-CE1 4.32Å; F83-F110 AromaticContact CG-CE2 3.72Å; F83-F110 HydrophobicContact CG-CE2 3.72Å; F83-F110 AromaticContact CG-CZ 3.7Å; F83-F110 HydrophobicContact CG-CZ 3.7Å; F83-F110 PolarHBondContact N-O 3.35Å; F83-F110 PolarHBondContact O-N 2.89Å; F83-F110 VanDerWaalsContact O-N 3.09Å |
| 84 | V | 92 | Very high | 85.3 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 111.1 | 177.7 | -175 | 0 | 0 | 0 | 0 | 108.2 | E37 P82 T109 A232 | E37-V84 PolarHBondContact N-O 3.26Å; E37-V84 PolarHBondContact O-N 2.91Å; P82-V84 HydrophobicContact CB-CG2 4.48Å; P82-V84 HydrophobicContact CG-CG2 4.14Å; V84-T109 HydrophobicContact CB-CG2 4.49Å; V84-T109 HydrophobicContact CG1-CG2 4.43Å; V84-T109 HydrophobicContact CG2-CG2 4.09Å; V84-A232 HydrophobicContact CG1-CB 3.88Å; V84-A232 HydrophobicContact CG2-CB 4.14Å |
| 85 | L | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.8 | 172.3 | -167.1 | 117.1 | 0 | 0 | 0 | 109.3 | L17 V34 L36 V87 Q107 A108 L128 V143 I145 | L17-L85 HydrophobicContact CD1-CD1 3.26Å; L17-L85 HydrophobicContact CD1-CD2 4.17Å; L17-L85 HydrophobicContact CD1-CG 4.26Å; V34-L85 HydrophobicContact CG1-CD1 3.75Å; V34-L85 HydrophobicContact CG1-CD2 3.86Å; V34-L85 HydrophobicContact CG1-CG 3.6Å; L36-L85 HydrophobicContact CD1-CB 4.43Å; L36-L85 HydrophobicContact CD1-CD1 4.27Å; L85-V87 HydrophobicContact CD2-CG2 4.08Å; L85-Q107 CarbonylContact O-C 3.49Å; L85-Q107 WeakPolarHBondContact O-CA 3.41Å; L85-A108 HydrophobicContact CB-CB 4.45Å; L85-A108 PolarHBondContact N-O 3.48Å; L85-A108 PolarHBondContact O-N 3.02Å; L85-L128 HydrophobicContact CD2-CD2 3.89Å; L85-V143 HydrophobicContact CD2-CG2 4.4Å; L85-I145 HydrophobicContact CD1-CD1 4.03Å |
| 86 | T | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118 | -178.5 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | V34 K35 Y88 L104 Q107 | V34-T86 CarbonylContact C-O 3.48Å; V34-T86 WeakPolarHBondContact CA-O 3.49Å; K35-T86 PolarHBondContact N-O 2.78Å; K35-T86 PolarHBondContact O-N 2.98Å; T86-Y88 HydrophobicContact CG2-CD1 4.46Å; T86-Y88 HydrophobicContact CG2-CD2 4.07Å; T86-Y88 HydrophobicContact CG2-CE1 3.97Å; T86-Y88 HydrophobicContact CG2-CE2 3.53Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.47Å; T86-L104 HydrophobicContact CG2-CD1 3.13Å; T86-Q107 HydrophobicContact CG2-CG 4.07Å; T86-Q107 PolarHBondContact OG1-NE2 3.29Å |
| 87 | V | 92 | Very high | 81.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126 | 174.6 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | I20 F23 S33 V34 L85 W105 G106 L128 | I20-V87 HydrophobicContact CD1-CG2 4.2Å; F23-V87 HydrophobicContact CE2-CG1 4.49Å; S33-V87 WeakPolarHBondContact O-CA 3.48Å; V34-V87 HydrophobicContact CG2-CG1 4.43Å; V34-V87 HydrophobicContact CG2-CG2 4.07Å; L85-V87 HydrophobicContact CD2-CG2 4.08Å; V87-W105 HydrophobicContact CB-CB 4.35Å; V87-W105 HydrophobicContact CB-CE3 4.1Å; V87-W105 HydrophobicContact CG1-CB 4.17Å; V87-W105 HydrophobicContact CG1-CD2 4.43Å; V87-W105 HydrophobicContact CG1-CE3 4.07Å; V87-W105 WeakPolarHBondContact O-CB 3.27Å; V87-W105 PolarHBondContact O-N 3.5Å; V87-G106 PolarHBondContact N-O 3.36Å; V87-G106 PolarHBondContact O-N 3.05Å; V87-L128 HydrophobicContact CG2-CD1 3.98Å; V87-L128 HydrophobicContact CG2-CD2 4.07Å |
| 88 | Y | 91.1 | Very high | 80.1 | Confident | 59 Ų | 59 | 65 Ų | 65 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.5 | 176 | -70.3 | -72.3 | 0 | 0 | 0 | 111.4 | Y32 S33 K35 T86 T102 E103 L104 | Y32-Y88 VanDerWaalsContact CA-O 3.31Å; Y32-Y88 WeakPolarHBondContact CA-O 3.24Å; S33-Y88 PolarHBondContact N-O 2.99Å; S33-Y88 PolarHBondContact O-N 3.35Å; K35-Y88 HydrophobicContact CB-CD2 4.29Å; K35-Y88 HydrophobicContact CB-CE2 3.85Å; K35-Y88 HydrophobicContact CD-CE2 4.17Å; T86-Y88 HydrophobicContact CG2-CD1 4.46Å; T86-Y88 HydrophobicContact CG2-CD2 4.07Å; T86-Y88 HydrophobicContact CG2-CE1 3.97Å; T86-Y88 HydrophobicContact CG2-CE2 3.53Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.47Å; Y88-T102 HydrophobicContact CD1-CG2 3.76Å; Y88-T102 HydrophobicContact CG-CG2 3.92Å; Y88-E103 CarbonylContact C-O 3.59Å; Y88-E103 WeakPolarHBondContact CA-O 3.45Å; Y88-L104 HydrophobicContact CE1-CD1 4.16Å |
| 89 | E | 88.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 2% | 0.023 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125 | 168.3 | -174.7 | -173.1 | 175.9 | 0 | 0 | 109.5 | S30 Y32 K91 T102 E103 W105 | S30-E89 WeakPolarHBondContact CB-OE1 3.4Å; S30-E89 PolarHBondContact OG-OE1 2.92Å; Y32-E89 HydrophobicContact CD1-CB 4.14Å; Y32-E89 HydrophobicContact CD1-CG 4.29Å; Y32-E89 HydrophobicContact CE1-CB 3.92Å; Y32-E89 HydrophobicContact CE1-CG 3.73Å; E89-K91 HydrophobicContact CG-CG 4.4Å; E89-K91 WeakPolarHBondContact OE1-CE 3.3Å; E89-T102 CarbonylContact O-C 3.52Å; E89-T102 WeakPolarHBondContact O-CA 3.35Å; E89-E103 PolarHBondContact N-O 3.44Å; E89-E103 PolarHBondContact O-N 3.47Å; E89-W105 HydrophobicContact CB-CB 4.37Å |
| 90 | H | 87.1 | Confident | 77.7 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 7% | 0.069 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 103 | 172.9 | -61 | -99 | 0 | 0 | 0 | 109.1 | K31 S33 E45 K48 T102 | K31-H90 PolarHBondContact N-O 3.47Å; K31-H90 VanDerWaalsContact N-O 3.09Å; K31-H90 WeakPolarHBondContact O-CB 3.31Å; K31-H90 PolarHBondContact O-N 3.48Å; S33-H90 PolarHBondContact OG-NE2 2.9Å; E45-H90 IonicContact OE1-NE2 3.27Å; K48-H90 PolarHBondContact NZ-CE1 3.36Å; K48-H90 PolarHBondContact NZ-ND1 3.02Å; H90-T102 PolarHBondContact CE1-OG1 3.4Å; H90-T102 PolarHBondContact ND1-OG1 3.38Å; H90-T102 VanDerWaalsContact ND1-OG1 3.07Å |
| 91 | K | 80.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 79 Ų | 79 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | trans | -72.7 | 142.2 | 177.2 | -69.2 | 176.7 | 174.5 | 170.7 | 0 | 110.8 | E89 K101 E103 | E89-K91 HydrophobicContact CG-CG 4.4Å; E89-K91 WeakPolarHBondContact OE1-CE 3.3Å; K91-K101 PolarHBondContact N-O 2.95Å; K91-K101 VanDerWaalsContact N-O 3.12Å; K91-E103 WeakPolarHBondContact CE-OE2 3.46Å; K91-E103 IonicContact NZ-OE1 3.08Å; K91-E103 IonicContact NZ-OE2 2.81Å; K91-E103 PolarHBondContact NZ-OE2 3.44Å | ||
| 92 | L | 71.4 | Confident | 76.9 | Confident | 125 Ų | 125 | 79 Ų | 79 | 65% | 0.654 | 37% | 0.373 | S | S | * | . | trans | -55.6 | 140.4 | 174.3 | -90.2 | 153.3 | 0 | 0 | 0 | 110.9 | G29 D94 | G29-L92 WeakPolarHBondContact O-CD1 3.39Å; L92-D94 PolarHBondContact O-N 3.32Å; L92-D94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | K | 65.9 | Low | 76.6 | Confident | 135 Ų | 135 | 81.7 Ų | 81.7 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | trans | -62.7 | 110.8 | -175.9 | -179 | -179.5 | 179.6 | 173.5 | 0 | 111.2 | Q97 | K93-Q97 WeakPolarHBondContact CE-O 3.37Š| ||
| 94 | D | 59.9 | Low | 76.4 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | trans | -63.9 | 138.9 | 164.6 | -83 | -31.9 | 0 | 0 | 0 | 110.2 | L92 K96 Q97 | L92-D94 PolarHBondContact O-N 3.32Å; L92-D94 VanDerWaalsContact O-N 3.12Å; D94-K96 PolarHBondContact O-N 2.92Å; D94-Q97 PolarHBondContact O-N 3.09Å; D94-Q97 VanDerWaalsContact O-N 3.07Å | ||
| 95 | K | 65.1 | Low | 76.1 | Confident | 219 Ų | 219 | 83.6 Ų | 83.6 | 95% | 0.952 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -11.8 | -179.4 | -71.6 | -176.6 | 177.3 | 178 | 0 | 114.9 | ||
| 96 | K | 60.8 | Low | 75.8 | Confident | 207 Ų | 207 | 83.7 Ų | 83.7 | 90% | 0.9 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -9.8 | -177.9 | -72.6 | -174.8 | 176 | 179.1 | 0 | 115.6 | D94 | D94-K96 PolarHBondContact O-N 2.92Š|
| 97 | Q | 46.2 | Very low | 75.8 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | trans | -114.8 | 143.5 | -179.9 | -71.8 | -175.1 | 16.5 | 0 | 0 | 112.4 | K93 D94 E99 | K93-Q97 WeakPolarHBondContact CE-O 3.37Å; D94-Q97 PolarHBondContact O-N 3.09Å; D94-Q97 VanDerWaalsContact O-N 3.07Å; Q97-E99 VanDerWaalsContact C-N 3.32Å | ||
| 98 | K | 60.3 | Low | 75.7 | Confident | 200 Ų | 200 | 84.1 Ų | 84.1 | 87% | 0.87 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -71.3 | -28.6 | -175.5 | -139.6 | 177.7 | -177 | -176.3 | 0 | 112 | ||
| 99 | E | 58.6 | Low | 75.6 | Confident | 156 Ų | 156 | 81.3 Ų | 81.3 | 73% | 0.729 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -131.5 | 153 | -176.1 | -70.1 | 173.9 | -179.6 | 0 | 0 | 111.2 | Q97 | Q97-E99 VanDerWaalsContact C-N 3.32Š|
| 100 | A | 65.7 | Low | 75.7 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 37% | 0.372 | 39% | 0.385 | S | S | . | . | trans | -69.7 | 136.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T102 | A100-T102 PolarHBondContact O-N 3.18Š| ||
| 101 | K | 78.3 | Confident | 75.7 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | trans | -79.3 | 115.6 | -179.8 | -163.9 | -175.8 | -175.9 | -158.9 | 0 | 109.4 | K91 E103 | K91-K101 PolarHBondContact N-O 2.95Å; K91-K101 VanDerWaalsContact N-O 3.12Å; K101-E103 HydrophobicContact CD-CG 4.41Å; K101-E103 WeakPolarHBondContact CD-OE1 3.36Å; K101-E103 WeakPolarHBondContact CE-OE1 3.31Å; K101-E103 HydrophobicContact CG-CG 4.35Å; K101-E103 IonicContact NZ-OE1 3.72Å; K101-E103 PolarHBondContact NZ-OE1 3.16Å | ||
| 102 | T | 83.2 | Confident | 76.1 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.8 | 173 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | Y88 E89 H90 A100 | Y88-T102 HydrophobicContact CD1-CG2 3.76Å; Y88-T102 HydrophobicContact CG-CG2 3.92Å; E89-T102 CarbonylContact O-C 3.52Å; E89-T102 WeakPolarHBondContact O-CA 3.35Å; H90-T102 PolarHBondContact CE1-OG1 3.4Å; H90-T102 PolarHBondContact ND1-OG1 3.38Å; H90-T102 VanDerWaalsContact ND1-OG1 3.07Å; A100-T102 PolarHBondContact O-N 3.18Å |
| 103 | E | 84.7 | Confident | 76.9 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.8 | 179 | -70.3 | -175.9 | 174.5 | 0 | 0 | 110.5 | Y88 E89 K91 K101 W105 | Y88-E103 CarbonylContact C-O 3.59Å; Y88-E103 WeakPolarHBondContact CA-O 3.45Å; E89-E103 PolarHBondContact N-O 3.44Å; E89-E103 PolarHBondContact O-N 3.47Å; K91-E103 WeakPolarHBondContact CE-OE2 3.46Å; K91-E103 IonicContact NZ-OE1 3.08Å; K91-E103 IonicContact NZ-OE2 2.81Å; K91-E103 PolarHBondContact NZ-OE2 3.44Å; K101-E103 HydrophobicContact CD-CG 4.41Å; K101-E103 WeakPolarHBondContact CD-OE1 3.36Å; K101-E103 WeakPolarHBondContact CE-OE1 3.31Å; K101-E103 HydrophobicContact CG-CG 4.35Å; K101-E103 IonicContact NZ-OE1 3.72Å; K101-E103 PolarHBondContact NZ-OE1 3.16Å; E103-W105 PolarHBondContact O-N 2.98Å |
| 104 | L | 87.3 | Confident | 78 | Confident | 37 Ų | 37 | 66.8 Ų | 66.8 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 113.9 | 175 | 177.9 | 66.5 | 0 | 0 | 0 | 109.1 | T86 Y88 Q107 Q131 | T86-L104 HydrophobicContact CG2-CD1 3.13Å; Y88-L104 HydrophobicContact CE1-CD1 4.16Å; L104-Q107 HydrophobicContact CD1-CG 3.83Å; L104-Q107 HydrophobicContact CD2-CG 4.44Å; L104-Q131 HydrophobicContact CD2-CG 4.36Å |
| 105 | W | 85.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -50 | -179 | -173.6 | 91.7 | 0 | 0 | 0 | 111.8 | F23 V24 Y32 V87 E89 E103 L128 R130 P141 | F23-W105 AromaticContact CD2-CH2 3.44Å; F23-W105 HydrophobicContact CD2-CH2 3.44Å; F23-W105 VanDerWaalsContact CD2-CH2 3.44Å; F23-W105 AromaticContact CD2-CZ2 3.74Å; F23-W105 HydrophobicContact CD2-CZ2 3.74Å; F23-W105 AromaticContact CD2-CZ3 3.98Å; F23-W105 HydrophobicContact CD2-CZ3 3.98Å; F23-W105 HydrophobicContact CE1-CZ2 4.35Å; F23-W105 AromaticContact CE2-CD2 3.93Å; F23-W105 HydrophobicContact CE2-CD2 3.93Å; F23-W105 AromaticContact CE2-CE2 3.69Å; F23-W105 AromaticContact CE2-CE3 3.87Å; F23-W105 HydrophobicContact CE2-CE3 3.87Å; F23-W105 AromaticContact CE2-CH2 3.34Å; F23-W105 HydrophobicContact CE2-CH2 3.34Å; F23-W105 AromaticContact CE2-CZ2 3.41Å; F23-W105 HydrophobicContact CE2-CZ2 3.41Å; F23-W105 VanDerWaalsContact CE2-CZ2 3.41Å; F23-W105 AromaticContact CE2-CZ3 3.6Å; F23-W105 HydrophobicContact CE2-CZ3 3.6Å; F23-W105 HydrophobicContact CG-CH2 4.33Å; F23-W105 HydrophobicContact CG-CZ2 4.36Å; F23-W105 HydrophobicContact CZ-CD2 4.14Å; F23-W105 AromaticContact CZ-CE2 3.72Å; F23-W105 HydrophobicContact CZ-CH2 4.16Å; F23-W105 AromaticContact CZ-CZ2 3.74Å; F23-W105 HydrophobicContact CZ-CZ2 3.74Å; V24-W105 WeakPolarHBondContact O-CZ2 3.33Å; Y32-W105 AromaticContact CE1-CD1 3.9Å; Y32-W105 HydrophobicContact CE1-CG 4.44Å; V87-W105 HydrophobicContact CB-CB 4.35Å; V87-W105 HydrophobicContact CB-CE3 4.1Å; V87-W105 HydrophobicContact CG1-CB 4.17Å; V87-W105 HydrophobicContact CG1-CD2 4.43Å; V87-W105 HydrophobicContact CG1-CE3 4.07Å; V87-W105 WeakPolarHBondContact O-CB 3.27Å; V87-W105 PolarHBondContact O-N 3.5Å; E89-W105 HydrophobicContact CB-CB 4.37Å; E103-W105 PolarHBondContact O-N 2.98Å; W105-L128 HydrophobicContact CZ3-CB 4.3Å; W105-L128 HydrophobicContact CZ3-CD1 3.89Å; W105-R130 WeakPolarHBondContact O-CG 3.3Å; W105-P141 HydrophobicContact CH2-CB 4.06Å; W105-P141 HydrophobicContact CH2-CG 3.69Å; W105-P141 HydrophobicContact CZ3-CG 4.36Å |
| 106 | G | 88.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 162.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V87 F129 | V87-G106 PolarHBondContact N-O 3.36Å; V87-G106 PolarHBondContact O-N 3.05Å; G106-F129 CarbonylContact C-O 3.57Å; G106-F129 WeakPolarHBondContact CA-O 3.33Å |
| 107 | Q | 91.6 | Very high | 81.6 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.2 | -179.4 | -66.1 | -177.8 | -53.1 | 0 | 0 | 112.1 | L85 T86 L104 F129 S231 A236 | L85-Q107 CarbonylContact O-C 3.49Å; L85-Q107 WeakPolarHBondContact O-CA 3.41Å; T86-Q107 HydrophobicContact CG2-CG 4.07Å; T86-Q107 PolarHBondContact OG1-NE2 3.29Å; L104-Q107 HydrophobicContact CD1-CG 3.83Å; L104-Q107 HydrophobicContact CD2-CG 4.44Å; Q107-F129 PolarHBondContact N-O 3.29Å; Q107-F129 PolarHBondContact O-N 3.04Å; Q107-S231 PolarHBondContact NE2-O 2.99Å; Q107-S231 VanDerWaalsContact NE2-O 3.08Å; Q107-A236 HydrophobicContact CB-CB 3.49Å; Q107-A236 VanDerWaalsContact CB-CB 3.49Å |
| 108 | A | 89.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L85 L126 L128 | L85-A108 HydrophobicContact CB-CB 4.45Å; L85-A108 PolarHBondContact N-O 3.48Å; L85-A108 PolarHBondContact O-N 3.02Å; A108-L126 HydrophobicContact CB-CB 4.09Å; A108-L126 HydrophobicContact CB-CD1 4.23Å; A108-L128 HydrophobicContact CB-CD2 3.71Å; A108-L128 HydrophobicContact CB-CG 4.48Å |
| 109 | T | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.9 | 175.4 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | P82 F83 V84 W226 A232 A236 I238 | P82-T109 HydrophobicContact CB-CG2 4.15Å; F83-T109 VanDerWaalsContact O-CA 3.23Å; F83-T109 WeakPolarHBondContact O-CA 3.32Å; V84-T109 HydrophobicContact CB-CG2 4.49Å; V84-T109 HydrophobicContact CG1-CG2 4.43Å; V84-T109 HydrophobicContact CG2-CG2 4.09Å; T109-W226 PolarHBondContact OG1-NE1 3.36Å; T109-A232 HydrophobicContact CG2-CB 3.92Å; T109-A236 WeakPolarHBondContact CG2-O 3.25Å; T109-A236 PolarHBondContact OG1-O 3.04Å; T109-A236 VanDerWaalsContact OG1-O 3.12Å; T109-I238 PolarHBondContact OG1-O 3.2Å |
| 110 | F | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.7 | 173.7 | 67.1 | -85.2 | 0 | 0 | 0 | 110.2 | I15 L36 P82 F83 M124 L126 I145 V147 T241 | I15-F110 HydrophobicContact CG1-CZ 4.32Å; I15-F110 HydrophobicContact CG2-CZ 3.86Å; L36-F110 HydrophobicContact CD1-CE1 3.91Å; L36-F110 HydrophobicContact CD1-CZ 4.13Å; P82-F110 CarbonylContact C-O 3.57Å; P82-F110 WeakPolarHBondContact CA-O 3.28Å; F83-F110 HydrophobicContact CB-CD1 3.87Å; F83-F110 HydrophobicContact CB-CD2 4.04Å; F83-F110 HydrophobicContact CB-CE1 3.49Å; F83-F110 VanDerWaalsContact CB-CE1 3.49Å; F83-F110 HydrophobicContact CB-CE2 3.67Å; F83-F110 HydrophobicContact CB-CG 4.14Å; F83-F110 HydrophobicContact CB-CZ 3.37Å; F83-F110 HydrophobicContact CD1-CZ 4.31Å; F83-F110 HydrophobicContact CD2-CD2 4.09Å; F83-F110 AromaticContact CD2-CE2 3.66Å; F83-F110 HydrophobicContact CD2-CE2 3.66Å; F83-F110 HydrophobicContact CD2-CZ 4.15Å; F83-F110 HydrophobicContact CE2-CE2 4.49Å; F83-F110 HydrophobicContact CG-CD2 4.35Å; F83-F110 HydrophobicContact CG-CE1 4.32Å; F83-F110 AromaticContact CG-CE2 3.72Å; F83-F110 HydrophobicContact CG-CE2 3.72Å; F83-F110 AromaticContact CG-CZ 3.7Å; F83-F110 HydrophobicContact CG-CZ 3.7Å; F83-F110 PolarHBondContact N-O 3.35Å; F83-F110 PolarHBondContact O-N 2.89Å; F83-F110 VanDerWaalsContact O-N 3.09Å; F110-M124 HydrophobicContact CB-CE 4.23Å; F110-M124 HydrophobicContact CB-SD 3.49Å; F110-M124 WeakPolarHBondContact CB-SD 3.44Å; F110-M124 HydrophobicContact CD1-SD 4.14Å; F110-M124 HydrophobicContact CD2-CE 3.69Å; F110-M124 HydrophobicContact CD2-SD 3.7Å; F110-M124 HydrophobicContact CE2-CE 4.34Å; F110-M124 HydrophobicContact CE2-SD 4.45Å; F110-M124 HydrophobicContact CG-CE 4.13Å; F110-M124 HydrophobicContact CG-SD 3.51Å; F110-M124 VanDerWaalsContact CG-SD 3.51Å; F110-L126 HydrophobicContact CB-CD1 3.75Å; F110-L126 HydrophobicContact CB-CD2 4.17Å; F110-L126 HydrophobicContact CD1-CD1 3.54Å; F110-L126 HydrophobicContact CE1-CD1 4.48Å; F110-L126 HydrophobicContact CG-CD1 3.97Å; F110-I145 HydrophobicContact CD1-CD1 4.24Å; F110-I145 HydrophobicContact CE1-CD1 4.02Å; F110-V147 HydrophobicContact CE2-CG2 3.96Å; F110-T241 HydrophobicContact CB-CG2 4.46Å |
| 111 | D | 86.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -125.2 | 165.9 | -177.5 | 63.4 | 60.1 | 0 | 0 | 0 | 112.9 | L113 Y122 W226 T241 R284 | D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 WeakPolarHBondContact OD1-CB 3.31Å; D111-L113 PolarHBondContact OD1-N 2.95Å; D111-Y122 PolarHBondContact O-OH 3.45Å; D111-W226 HydrophobicContact CB-CH2 3.69Å; D111-W226 HydrophobicContact CB-CZ2 3.91Å; D111-T241 PolarHBondContact OD2-OG1 3.48Å; D111-R284 VanDerWaalsContact CG-NH1 3.26Å; D111-R284 IonicContact OD1-NH1 2.69Å; D111-R284 IonicContact OD2-CZ 2.66Å; D111-R284 IonicContact OD2-NH1 3.32Å; D111-R284 PolarHBondContact OD2-NH1 3.36Å; D111-R284 IonicContact OD2-NH2 3.38Å | ||
| 112 | G | 88.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -91 | 16.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L78 L115 V116 | L78-G112 PolarHBondContact O-N 3.37Å; L78-G112 VanDerWaalsContact O-N 3.1Å; G112-L115 WeakPolarHBondContact O-CB 3.22Å; G112-L115 PolarHBondContact O-N 3.29Å; G112-L115 VanDerWaalsContact O-N 3.09Å; G112-V116 PolarHBondContact O-N 2.93Å |
| 113 | L | 88.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.8 | -40.1 | -174 | -177.2 | 66.3 | 0 | 0 | 0 | 113.1 | C79 D111 L115 V116 K117 I164 | C79-L113 HydrophobicContact CB-CD1 4.29Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 WeakPolarHBondContact OD1-CB 3.31Å; D111-L113 PolarHBondContact OD1-N 2.95Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.21Å; L113-V116 PolarHBondContact O-N 2.94Å; L113-V116 VanDerWaalsContact O-N 3.13Å; L113-K117 PolarHBondContact O-N 2.9Å; L113-I164 HydrophobicContact CD1-CD1 3.35Å |
| 114 | P | 88.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 30.1 Ų | 30.1 | 21% | 0.208 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 175.9 | -27.9 | 39.7 | 0 | 0 | 0 | 113.3 | V116 K117 S119 Y122 | P114-V116 VanDerWaalsContact C-N 3.34Å; P114-V116 PolarHBondContact O-N 3.43Å; P114-K117 CarbonylContact O-C 3.56Å; P114-K117 WeakPolarHBondContact O-CA 3.45Å; P114-K117 PolarHBondContact O-N 3.42Å; P114-K117 VanDerWaalsContact O-N 3.13Å; P114-S119 WeakPolarHBondContact O-CB 3.42Å; P114-S119 PolarHBondContact O-N 3.41Å; P114-S119 PolarHBondContact O-OG 3.04Å; P114-Y122 HydrophobicContact CB-CD1 3.75Å; P114-Y122 HydrophobicContact CB-CD2 3.91Å; P114-Y122 HydrophobicContact CB-CE1 3.96Å; P114-Y122 HydrophobicContact CB-CE2 4.02Å; P114-Y122 HydrophobicContact CB-CG 3.75Å; P114-Y122 HydrophobicContact CG-CD1 4.35Å; P114-Y122 HydrophobicContact CG-CD2 3.64Å; P114-Y122 HydrophobicContact CG-CE1 4.34Å; P114-Y122 HydrophobicContact CG-CE2 3.54Å; P114-Y122 HydrophobicContact CG-CG 4.04Å |
| 115 | L | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 174.8 | -56.8 | 179.2 | 0 | 0 | 0 | 112 | I13 G112 L113 K117 N118 S119 Y122 V147 I149 L153 | I13-L115 HydrophobicContact CB-CD1 4.45Å; I13-L115 HydrophobicContact CD1-CD1 3.58Å; I13-L115 HydrophobicContact CG1-CD1 3.83Å; I13-L115 HydrophobicContact CG2-CD1 3.74Å; G112-L115 WeakPolarHBondContact O-CB 3.22Å; G112-L115 PolarHBondContact O-N 3.29Å; G112-L115 VanDerWaalsContact O-N 3.09Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.21Å; L115-K117 VanDerWaalsContact C-N 3.26Å; L115-K117 PolarHBondContact O-N 3.32Å; L115-N118 PolarHBondContact O-N 3.47Å; L115-S119 VanDerWaalsContact CD2-O 3.31Å; L115-S119 WeakPolarHBondContact CD2-O 3.35Å; L115-Y122 HydrophobicContact CD1-CE1 4.36Å; L115-Y122 HydrophobicContact CD2-CD1 4.05Å; L115-Y122 HydrophobicContact CD2-CE1 3.64Å; L115-Y122 HydrophobicContact CG-CD1 4.47Å; L115-Y122 HydrophobicContact CG-CE1 3.64Å; L115-V147 HydrophobicContact CD1-CG1 3.97Å; L115-V147 HydrophobicContact CD2-CG1 4.42Å; L115-V147 HydrophobicContact CG-CG1 4.45Å; L115-I149 HydrophobicContact CD2-CG2 3.94Å; L115-L153 HydrophobicContact CB-CD2 4.27Å |
| 116 | V | 87.5 | Confident | 89 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -29.4 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | V75 L78 G112 L113 P114 N118 L153 Y159 I164 L286 | V75-V116 HydrophobicContact CG1-CG2 4.49Å; L78-V116 HydrophobicContact CB-CG2 4.17Å; G112-V116 PolarHBondContact O-N 2.93Å; L113-V116 PolarHBondContact O-N 2.94Å; L113-V116 VanDerWaalsContact O-N 3.13Å; P114-V116 VanDerWaalsContact C-N 3.34Å; P114-V116 PolarHBondContact O-N 3.43Å; V116-N118 PolarHBondContact O-N 3.04Å; V116-L153 HydrophobicContact CG2-CD2 4.21Å; V116-Y159 WeakPolarHBondContact O-CD2 3.44Å; V116-Y159 VanDerWaalsContact O-CE2 3.3Å; V116-Y159 WeakPolarHBondContact O-CE2 3.49Å; V116-I164 HydrophobicContact CG1-CD1 4.1Å; V116-L286 HydrophobicContact CG1-CD1 4.1Å |
| 117 | K | 84.9 | Confident | 89 | Confident | 92 Ų | 92 | 34.2 Ų | 34.2 | 40% | 0.4 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 23.8 | 171.8 | -68.2 | -174.8 | 175.1 | -175 | 0 | 113.8 | L113 P114 L115 S119 | L113-K117 PolarHBondContact O-N 2.9Å; P114-K117 CarbonylContact O-C 3.56Å; P114-K117 WeakPolarHBondContact O-CA 3.45Å; P114-K117 PolarHBondContact O-N 3.42Å; P114-K117 VanDerWaalsContact O-N 3.13Å; L115-K117 VanDerWaalsContact C-N 3.26Å; L115-K117 PolarHBondContact O-N 3.32Å; K117-S119 PolarHBondContact O-N 3.47Å |
| 118 | N | 83.2 | Confident | 88.8 | Confident | 30 Ų | 30 | 33.9 Ų | 33.9 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 19.6 | -178.8 | -91.1 | 8.3 | 0 | 0 | 0 | 115.9 | L115 V116 L154 D156 Y159 | L115-N118 PolarHBondContact O-N 3.47Å; V116-N118 PolarHBondContact O-N 3.04Å; N118-L154 PolarHBondContact OD1-O 3.49Å; N118-D156 PolarHBondContact ND2-OD1 3.44Å; N118-D156 VanDerWaalsContact ND2-OD1 3.12Å; N118-Y159 HydrophobicContact CB-CD1 4.4Å; N118-Y159 HydrophobicContact CB-CD2 4.46Å; N118-Y159 HydrophobicContact CB-CE1 4.47Å; N118-Y159 HydrophobicContact CB-CG 4.38Å |
| 119 | S | 87.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 35.1 Ų | 35.1 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | trans | -76.8 | 131.4 | 168.1 | -52.6 | 0 | 0 | 0 | 0 | 110 | P114 L115 K117 | P114-S119 WeakPolarHBondContact O-CB 3.42Å; P114-S119 PolarHBondContact O-N 3.41Å; P114-S119 PolarHBondContact O-OG 3.04Å; L115-S119 VanDerWaalsContact CD2-O 3.31Å; L115-S119 WeakPolarHBondContact CD2-O 3.35Å; K117-S119 PolarHBondContact O-N 3.47Å | ||
| 120 | T | 90.1 | Very high | 87.9 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -85.6 | -22.7 | 177.1 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | S148 I149 P152 | T120-S148 CarbonylContact O-C 3.43Å; T120-S148 WeakPolarHBondContact O-CA 3.27Å; T120-I149 WeakPolarHBondContact O-CG2 3.41Å; T120-I149 PolarHBondContact O-N 3.44Å; T120-P152 HydrophobicContact CG2-CG 3.95Å |
| 121 | E | 91.6 | Very high | 86.5 | Confident | 133 Ų | 133 | 45.7 Ų | 45.7 | 62% | 0.621 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 149 | 177.4 | 61.8 | -176.4 | -172.3 | 0 | 0 | 110.5 | V147 | E121-V147 CarbonylContact C-O 3.52Å; E121-V147 VanDerWaalsContact CA-O 3.26Å; E121-V147 WeakPolarHBondContact CA-O 3.49Å |
| 122 | Y | 92.7 | Very high | 84.5 | Confident | 34 Ų | 34 | 51 Ų | 51 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 146.2 | 172.5 | 63.9 | -70 | 0 | 0 | 0 | 110.5 | D111 P114 L115 M124 V147 | D111-Y122 PolarHBondContact O-OH 3.45Å; P114-Y122 HydrophobicContact CB-CD1 3.75Å; P114-Y122 HydrophobicContact CB-CD2 3.91Å; P114-Y122 HydrophobicContact CB-CE1 3.96Å; P114-Y122 HydrophobicContact CB-CE2 4.02Å; P114-Y122 HydrophobicContact CB-CG 3.75Å; P114-Y122 HydrophobicContact CG-CD1 4.35Å; P114-Y122 HydrophobicContact CG-CD2 3.64Å; P114-Y122 HydrophobicContact CG-CE1 4.34Å; P114-Y122 HydrophobicContact CG-CE2 3.54Å; P114-Y122 HydrophobicContact CG-CG 4.04Å; L115-Y122 HydrophobicContact CD1-CE1 4.36Å; L115-Y122 HydrophobicContact CD2-CD1 4.05Å; L115-Y122 HydrophobicContact CD2-CE1 3.64Å; L115-Y122 HydrophobicContact CG-CD1 4.47Å; L115-Y122 HydrophobicContact CG-CE1 3.64Å; Y122-M124 HydrophobicContact CD2-CE 3.66Å; Y122-M124 HydrophobicContact CE2-CE 3.06Å; Y122-V147 HydrophobicContact CD1-CB 3.93Å; Y122-V147 HydrophobicContact CD1-CG1 4.29Å; Y122-V147 HydrophobicContact CE1-CB 3.39Å; Y122-V147 HydrophobicContact CE1-CG1 3.41Å; Y122-V147 VanDerWaalsContact CE1-CG1 3.41Å; Y122-V147 HydrophobicContact CE1-CG2 4.22Å; Y122-V147 HydrophobicContact CE2-CB 4.34Å; Y122-V147 HydrophobicContact CE2-CG2 4.4Å; Y122-V147 PolarHBondContact N-O 3.35Å; Y122-V147 PolarHBondContact O-N 3.18Å |
| 123 | E | 91 | Very high | 82.7 | Confident | 121 Ų | 121 | 53.2 Ų | 53.2 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 147.2 | 178.9 | -170.7 | 177.7 | -178.6 | 0 | 0 | 110.3 | I145 L146 | E123-I145 CarbonylContact C-O 3.6Å; E123-I145 WeakPolarHBondContact CA-O 3.44Å; E123-L146 HydrophobicContact CB-CD1 4.44Å |
| 124 | M | 90.6 | Very high | 80.7 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.5 | 177.3 | 64.6 | -175.4 | 72.8 | 0 | 0 | 112.1 | F110 Y122 L126 I145 V147 | F110-M124 HydrophobicContact CB-CE 4.23Å; F110-M124 HydrophobicContact CB-SD 3.49Å; F110-M124 WeakPolarHBondContact CB-SD 3.44Å; F110-M124 HydrophobicContact CD1-SD 4.14Å; F110-M124 HydrophobicContact CD2-CE 3.69Å; F110-M124 HydrophobicContact CD2-SD 3.7Å; F110-M124 HydrophobicContact CE2-CE 4.34Å; F110-M124 HydrophobicContact CE2-SD 4.45Å; F110-M124 HydrophobicContact CG-CE 4.13Å; F110-M124 HydrophobicContact CG-SD 3.51Å; F110-M124 VanDerWaalsContact CG-SD 3.51Å; Y122-M124 HydrophobicContact CD2-CE 3.66Å; Y122-M124 HydrophobicContact CE2-CE 3.06Å; M124-L126 HydrophobicContact CB-CD2 4.37Å; M124-L126 HydrophobicContact CG-CD1 4.42Å; M124-L126 HydrophobicContact CG-CD2 4.21Å; M124-L126 HydrophobicContact CG-CG 4Å; M124-L126 HydrophobicContact SD-CD1 3.76Å; M124-L126 HydrophobicContact SD-CD2 3.86Å; M124-L126 HydrophobicContact SD-CG 3.85Å; M124-I145 HydrophobicContact CG-CB 3.72Å; M124-I145 HydrophobicContact CG-CG1 4.48Å; M124-I145 HydrophobicContact CG-CG2 4.44Å; M124-I145 PolarHBondContact N-O 3.45Å; M124-I145 PolarHBondContact O-N 3.03Å; M124-I145 HydrophobicContact SD-CB 4.28Å; M124-I145 HydrophobicContact SD-CD1 4.5Å; M124-V147 HydrophobicContact CE-CG2 3.8Å |
| 125 | N | 89.9 | Confident | 79 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 102.8 | 173.1 | -74.5 | -37.5 | 0 | 0 | 0 | 109.1 | T142 V143 E144 | N125-T142 HydrophobicContact CB-CG2 3.75Å; N125-V143 CarbonylContact C-O 3.56Å; N125-V143 WeakPolarHBondContact CA-O 3.39Å; N125-E144 WeakPolarHBondContact OD1-CG 3.22Å |
| 126 | L | 88.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.2 | -174.2 | -59.2 | -179.5 | 0 | 0 | 0 | 112.1 | A108 F110 M124 T142 V143 I145 Q240 T241 | A108-L126 HydrophobicContact CB-CB 4.09Å; A108-L126 HydrophobicContact CB-CD1 4.23Å; F110-L126 HydrophobicContact CB-CD1 3.75Å; F110-L126 HydrophobicContact CB-CD2 4.17Å; F110-L126 HydrophobicContact CD1-CD1 3.54Å; F110-L126 HydrophobicContact CE1-CD1 4.48Å; F110-L126 HydrophobicContact CG-CD1 3.97Å; M124-L126 HydrophobicContact CB-CD2 4.37Å; M124-L126 HydrophobicContact CG-CD1 4.42Å; M124-L126 HydrophobicContact CG-CD2 4.21Å; M124-L126 HydrophobicContact CG-CG 4Å; M124-L126 HydrophobicContact SD-CD1 3.76Å; M124-L126 HydrophobicContact SD-CD2 3.86Å; M124-L126 HydrophobicContact SD-CG 3.85Å; L126-T142 CarbonylContact O-C 3.59Å; L126-T142 VanDerWaalsContact O-CA 3.29Å; L126-T142 WeakPolarHBondContact O-CA 3.42Å; L126-V143 PolarHBondContact N-O 3.21Å; L126-V143 PolarHBondContact O-N 3.01Å; L126-I145 HydrophobicContact CD1-CD1 3.58Å; L126-I145 HydrophobicContact CG-CD1 4.35Å; L126-Q240 HydrophobicContact CD2-CB 4.34Å; L126-T241 HydrophobicContact CD2-CG2 4.28Å |
| 127 | K | 88.4 | Confident | 76.8 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 133.3 | 170.7 | -63.7 | -54.6 | -160.4 | 171.1 | 0 | 111 | F137 D138 L140 P141 T142 Q240 | K127-F137 HydrophobicContact CB-CZ 4.49Å; K127-F137 WeakPolarHBondContact CE-O 3.48Å; K127-F137 HydrophobicContact CG-CE1 4.08Å; K127-F137 HydrophobicContact CG-CE2 4.23Å; K127-F137 HydrophobicContact CG-CZ 3.81Å; K127-D138 PolarHBondContact NZ-O 3.3Å; K127-L140 HydrophobicContact CB-CB 4.17Å; K127-L140 HydrophobicContact CB-CD1 4.28Å; K127-L140 HydrophobicContact CD-CB 3.99Å; K127-L140 HydrophobicContact CG-CB 4.38Å; K127-L140 PolarHBondContact NZ-O 3.04Å; K127-L140 VanDerWaalsContact NZ-O 3.08Å; K127-P141 CarbonylContact C-O 3.59Å; K127-P141 WeakPolarHBondContact CA-O 3.4Å; K127-T142 HydrophobicContact CD-CG2 4.45Å; K127-T142 WeakPolarHBondContact CD-OG1 3.41Å; K127-T142 PolarHBondContact NZ-OG1 3.39Å; K127-Q240 PolarHBondContact O-NE2 3.47Å; K127-Q240 PolarHBondContact O-OE1 3.35Å |
| 128 | L | 87.2 | Confident | 76 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 124.6 | 174.2 | -77 | 168.8 | 0 | 0 | 0 | 111.4 | I20 L85 V87 W105 A108 P141 V143 | I20-L128 HydrophobicContact CD1-CD1 3.89Å; I20-L128 HydrophobicContact CG2-CD1 3.78Å; L85-L128 HydrophobicContact CD2-CD2 3.89Å; V87-L128 HydrophobicContact CG2-CD1 3.98Å; V87-L128 HydrophobicContact CG2-CD2 4.07Å; W105-L128 HydrophobicContact CZ3-CB 4.3Å; W105-L128 HydrophobicContact CZ3-CD1 3.89Å; A108-L128 HydrophobicContact CB-CD2 3.71Å; A108-L128 HydrophobicContact CB-CG 4.48Å; L128-P141 HydrophobicContact CB-CB 4.36Å; L128-P141 PolarHBondContact N-O 3.07Å; L128-V143 HydrophobicContact CD1-CG2 3.24Å; L128-V143 HydrophobicContact CD2-CG2 4Å; L128-V143 HydrophobicContact CG-CG2 3.44Å; L128-V143 VanDerWaalsContact CG-CG2 3.44Å |
| 129 | F | 83.5 | Confident | 75.5 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 126.9 | 176.9 | -64.6 | -80.5 | 0 | 0 | 0 | 111.4 | G106 Q107 F137 L140 F235 A236 Q240 | G106-F129 CarbonylContact C-O 3.57Å; G106-F129 WeakPolarHBondContact CA-O 3.33Å; Q107-F129 PolarHBondContact N-O 3.29Å; Q107-F129 PolarHBondContact O-N 3.04Å; F129-F137 HydrophobicContact CZ-CD2 4.49Å; F129-F137 HydrophobicContact CZ-CE2 4.06Å; F129-L140 HydrophobicContact CD1-CD1 3.9Å; F129-L140 HydrophobicContact CE1-CD1 3.64Å; F129-L140 HydrophobicContact CZ-CD1 4.36Å; F129-F235 HydrophobicContact CB-CB 4.21Å; F129-F235 HydrophobicContact CD1-CB 3.64Å; F129-F235 HydrophobicContact CE1-CB 4.13Å; F129-F235 HydrophobicContact CG-CB 3.91Å; F129-A236 HydrophobicContact CB-CB 4.49Å; F129-Q240 HydrophobicContact CE2-CG 4.38Å |
| 130 | R | 77.6 | Confident | 75.3 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 150.4 | 174.6 | -170.2 | 165.9 | -174 | -177.8 | -1 | 110.5 | W105 C132 | W105-R130 WeakPolarHBondContact O-CG 3.3Å; R130-C132 PolarHBondContact O-N 3.42Å |
| 131 | Q | 61.2 | Low | 75.2 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -58 | -22.8 | 177.7 | -92.5 | -171.9 | -10.7 | 0 | 0 | 114.3 | L104 | L104-Q131 HydrophobicContact CD2-CG 4.36Š|
| 132 | C | 44.9 | Very low | 75.2 | Confident | 114 Ų | 114 | 67.1 Ų | 67.1 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -144.3 | 95.9 | 179.6 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | R130 | R130-C132 PolarHBondContact O-N 3.42Š|
| 133 | S | 50.6 | Low | 75.1 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | trans | -152.1 | 113.1 | 170 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | T135 | S133-T135 WeakPolarHBondContact CB-OG1 3.32Å; S133-T135 PolarHBondContact O-N 2.93Å | ||
| 134 | T | 45.2 | Very low | 75.2 | Confident | 157 Ų | 157 | 61.4 Ų | 61.4 | 96% | 0.963 | 33% | 0.334 | S | S | * | . | trans | -82 | 30 | 165 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 135 | T | 54.6 | Low | 75.4 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | trans | -86.4 | 151.9 | -178 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | S133 | S133-T135 WeakPolarHBondContact CB-OG1 3.32Å; S133-T135 PolarHBondContact O-N 2.93Å | ||
| 136 | S | 61.9 | Low | 75.6 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | trans | -61.9 | 152.8 | 173.5 | 85.4 | 0 | 0 | 0 | 0 | 110.6 | D138 D139 | S136-D138 VanDerWaalsContact C-N 3.27Å; S136-D138 PolarHBondContact O-N 3.49Å; S136-D139 PolarHBondContact O-N 3.09Å; S136-D139 PolarHBondContact OG-N 3.38Å; S136-D139 PolarHBondContact OG-OD2 3.16Å | ||
| 137 | F | 67.6 | Low | 75.9 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -62.7 | -34.7 | -178.2 | -177.8 | -93.5 | 0 | 0 | 0 | 112.4 | K127 F129 D139 L140 | K127-F137 HydrophobicContact CB-CZ 4.49Å; K127-F137 WeakPolarHBondContact CE-O 3.48Å; K127-F137 HydrophobicContact CG-CE1 4.08Å; K127-F137 HydrophobicContact CG-CE2 4.23Å; K127-F137 HydrophobicContact CG-CZ 3.81Å; F129-F137 HydrophobicContact CZ-CD2 4.49Å; F129-F137 HydrophobicContact CZ-CE2 4.06Å; F137-D139 VanDerWaalsContact C-N 3.32Å; F137-D139 PolarHBondContact O-N 3.18Å; F137-L140 HydrophobicContact CD2-CD1 4.09Å; F137-L140 WeakPolarHBondContact O-CB 2.99Å; F137-L140 PolarHBondContact O-N 3.33Å |
| 138 | D | 67.2 | Low | 76.1 | Confident | 125 Ų | 125 | 57.8 Ų | 57.8 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33.6 | -178 | -63.6 | -36.4 | 0 | 0 | 0 | 111.9 | K127 S136 L140 | K127-D138 PolarHBondContact NZ-O 3.3Å; S136-D138 VanDerWaalsContact C-N 3.27Å; S136-D138 PolarHBondContact O-N 3.49Å; D138-L140 VanDerWaalsContact C-N 3.26Å; D138-L140 PolarHBondContact O-N 2.88Å |
| 139 | D | 74.5 | Confident | 76.4 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -4.2 | 179.8 | -61.8 | -39.7 | 0 | 0 | 0 | 114 | S136 F137 | S136-D139 PolarHBondContact O-N 3.09Å; S136-D139 PolarHBondContact OG-N 3.38Å; S136-D139 PolarHBondContact OG-OD2 3.16Å; F137-D139 VanDerWaalsContact C-N 3.32Å; F137-D139 PolarHBondContact O-N 3.18Å |
| 140 | L | 82.9 | Confident | 76.4 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -69.1 | 142.5 | -178.4 | -71.8 | 170.6 | 0 | 0 | 0 | 111.9 | K127 F129 F137 D138 T142 | K127-L140 HydrophobicContact CB-CB 4.17Å; K127-L140 HydrophobicContact CB-CD1 4.28Å; K127-L140 HydrophobicContact CD-CB 3.99Å; K127-L140 HydrophobicContact CG-CB 4.38Å; K127-L140 PolarHBondContact NZ-O 3.04Å; K127-L140 VanDerWaalsContact NZ-O 3.08Å; F129-L140 HydrophobicContact CD1-CD1 3.9Å; F129-L140 HydrophobicContact CE1-CD1 3.64Å; F129-L140 HydrophobicContact CZ-CD1 4.36Å; F137-L140 HydrophobicContact CD2-CD1 4.09Å; F137-L140 WeakPolarHBondContact O-CB 2.99Å; F137-L140 PolarHBondContact O-N 3.33Å; D138-L140 VanDerWaalsContact C-N 3.26Å; D138-L140 PolarHBondContact O-N 2.88Å; L140-T142 PolarHBondContact O-OG1 3.06Å |
| 141 | P | 87.8 | Confident | 76.7 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | trans | -55.5 | 140 | 173.1 | -19.4 | 28.6 | 0 | 0 | 0 | 111.2 | I20 H21 W105 K127 L128 | I20-P141 HydrophobicContact CG2-CB 4.2Å; H21-P141 VanDerWaalsContact O-CA 3.31Å; H21-P141 WeakPolarHBondContact O-CA 3.43Å; W105-P141 HydrophobicContact CH2-CB 4.06Å; W105-P141 HydrophobicContact CH2-CG 3.69Å; W105-P141 HydrophobicContact CZ3-CG 4.36Å; K127-P141 CarbonylContact C-O 3.59Å; K127-P141 WeakPolarHBondContact CA-O 3.4Å; L128-P141 HydrophobicContact CB-CB 4.36Å; L128-P141 PolarHBondContact N-O 3.07Å | ||
| 142 | T | 90 | Very high | 77.8 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.9 | -172.9 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | I20 H21 N125 L126 K127 L140 | I20-T142 CarbonylContact C-O 3.53Å; I20-T142 WeakPolarHBondContact CA-O 3.33Å; H21-T142 PolarHBondContact N-O 2.88Å; H21-T142 PolarHBondContact O-N 3.44Å; N125-T142 HydrophobicContact CB-CG2 3.75Å; L126-T142 CarbonylContact O-C 3.59Å; L126-T142 VanDerWaalsContact O-CA 3.29Å; L126-T142 WeakPolarHBondContact O-CA 3.42Å; K127-T142 HydrophobicContact CD-CG2 4.45Å; K127-T142 WeakPolarHBondContact CD-OG1 3.41Å; K127-T142 PolarHBondContact NZ-OG1 3.39Å; L140-T142 PolarHBondContact O-OG1 3.06Å |
| 143 | V | 92.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.8 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | L17 I20 L85 N125 L126 L128 I145 | L17-V143 HydrophobicContact CD1-CG1 3.59Å; L17-V143 HydrophobicContact CD2-CG1 4.32Å; L17-V143 HydrophobicContact CG-CG1 3.78Å; I20-V143 HydrophobicContact CB-CG2 4.49Å; I20-V143 HydrophobicContact CD1-CG2 4.19Å; I20-V143 HydrophobicContact CG1-CG1 4.32Å; I20-V143 HydrophobicContact CG1-CG2 3.99Å; I20-V143 HydrophobicContact CG2-CG2 4.04Å; L85-V143 HydrophobicContact CD2-CG2 4.4Å; N125-V143 CarbonylContact C-O 3.56Å; N125-V143 WeakPolarHBondContact CA-O 3.39Å; L126-V143 PolarHBondContact N-O 3.21Å; L126-V143 PolarHBondContact O-N 3.01Å; L128-V143 HydrophobicContact CD1-CG2 3.24Å; L128-V143 HydrophobicContact CD2-CG2 4Å; L128-V143 HydrophobicContact CG-CG2 3.44Å; L128-V143 VanDerWaalsContact CG-CG2 3.44Å; V143-I145 HydrophobicContact CB-CG1 4.41Å; V143-I145 HydrophobicContact CG1-CD1 4.03Å; V143-I145 HydrophobicContact CG1-CG1 3.64Å |
| 144 | E | 92.5 | Very high | 81.3 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.2 | 170.6 | -58.2 | -170.7 | 146.6 | 0 | 0 | 109.6 | Q18 R19 H21 N125 | Q18-E144 HydrophobicContact CB-CB 4.33Å; Q18-E144 PolarHBondContact N-O 2.94Å; Q18-E144 VanDerWaalsContact N-O 3.13Å; R19-E144 WeakPolarHBondContact CD-OE2 3.38Å; R19-E144 HydrophobicContact CG-CB 4.3Å; R19-E144 HydrophobicContact CG-CG 3.99Å; R19-E144 WeakPolarHBondContact CG-OE2 3.41Å; R19-E144 IonicContact NE-OE2 2.79Å; R19-E144 PolarHBondContact NE-OE2 3.04Å; R19-E144 VanDerWaalsContact NE-OE2 3.08Å; R19-E144 PolarHBondContact O-N 3.36Å; H21-E144 IonicContact CD2-OE1 3.82Å; H21-E144 IonicContact CE1-OE1 3.47Å; H21-E144 WeakPolarHBondContact NE2-CG 3.32Å; H21-E144 IonicContact NE2-OE1 2.7Å; H21-E144 PolarHBondContact NE2-OE1 3.25Å; H21-E144 IonicContact NE2-OE2 3.64Å; N125-E144 WeakPolarHBondContact OD1-CG 3.22Å |
| 145 | I | 93.9 | Very high | 83 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.3 | 178.7 | -52.4 | -178.1 | 0 | 0 | 0 | 109.7 | I15 H16 L17 L85 F110 E123 M124 L126 V143 V147 | I15-I145 HydrophobicContact CG2-CG2 3.56Å; H16-I145 WeakPolarHBondContact O-CA 3.24Å; L17-I145 HydrophobicContact CD1-CG1 4.5Å; L85-I145 HydrophobicContact CD1-CD1 4.03Å; F110-I145 HydrophobicContact CD1-CD1 4.24Å; F110-I145 HydrophobicContact CE1-CD1 4.02Å; E123-I145 CarbonylContact C-O 3.6Å; E123-I145 WeakPolarHBondContact CA-O 3.44Å; M124-I145 HydrophobicContact CG-CB 3.72Å; M124-I145 HydrophobicContact CG-CG1 4.48Å; M124-I145 HydrophobicContact CG-CG2 4.44Å; M124-I145 PolarHBondContact N-O 3.45Å; M124-I145 PolarHBondContact O-N 3.03Å; M124-I145 HydrophobicContact SD-CB 4.28Å; M124-I145 HydrophobicContact SD-CD1 4.5Å; L126-I145 HydrophobicContact CD1-CD1 3.58Å; L126-I145 HydrophobicContact CG-CD1 4.35Å; V143-I145 HydrophobicContact CB-CG1 4.41Å; V143-I145 HydrophobicContact CG1-CD1 4.03Å; V143-I145 HydrophobicContact CG1-CG1 3.64Å; I145-V147 HydrophobicContact CG2-CG2 3.98Å |
| 146 | L | 94.4 | Very high | 84.3 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.7 | 168.4 | 176 | 66.7 | 0 | 0 | 0 | 109 | H16 E123 | H16-L146 HydrophobicContact CB-CB 4.3Å; H16-L146 PolarHBondContact N-O 3.26Å; H16-L146 PolarHBondContact O-N 2.86Å; E123-L146 HydrophobicContact CB-CD1 4.44Å |
| 147 | V | 95.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.7 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | I13 Q14 I15 F110 L115 E121 Y122 M124 I145 | I13-V147 HydrophobicContact CG2-CG1 3.77Å; Q14-V147 WeakPolarHBondContact O-CA 3.34Å; I15-V147 HydrophobicContact CG1-CG1 4.38Å; I15-V147 HydrophobicContact CG1-CG2 4.25Å; I15-V147 HydrophobicContact CG2-CG2 4.33Å; F110-V147 HydrophobicContact CE2-CG2 3.96Å; L115-V147 HydrophobicContact CD1-CG1 3.97Å; L115-V147 HydrophobicContact CD2-CG1 4.42Å; L115-V147 HydrophobicContact CG-CG1 4.45Å; E121-V147 CarbonylContact C-O 3.52Å; E121-V147 VanDerWaalsContact CA-O 3.26Å; E121-V147 WeakPolarHBondContact CA-O 3.49Å; Y122-V147 HydrophobicContact CD1-CB 3.93Å; Y122-V147 HydrophobicContact CD1-CG1 4.29Å; Y122-V147 HydrophobicContact CE1-CB 3.39Å; Y122-V147 HydrophobicContact CE1-CG1 3.41Å; Y122-V147 VanDerWaalsContact CE1-CG1 3.41Å; Y122-V147 HydrophobicContact CE1-CG2 4.22Å; Y122-V147 HydrophobicContact CE2-CB 4.34Å; Y122-V147 HydrophobicContact CE2-CG2 4.4Å; Y122-V147 PolarHBondContact N-O 3.35Å; Y122-V147 PolarHBondContact O-N 3.18Å; M124-V147 HydrophobicContact CE-CG2 3.8Å; I145-V147 HydrophobicContact CG2-CG2 3.98Å |
| 148 | S | 93.5 | Very high | 85.7 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153.9 | -178.7 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | Q14 T120 | Q14-S148 PolarHBondContact N-O 2.79Å; Q14-S148 PolarHBondContact O-N 3.43Å; T120-S148 CarbonylContact O-C 3.43Å; T120-S148 WeakPolarHBondContact O-CA 3.27Å |
| 149 | I | 92.5 | Very high | 86.4 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.1 | 172.9 | -171.7 | 169 | 0 | 0 | 0 | 108.1 | R11 I13 L115 T120 Q151 L153 | R11-I149 HydrophobicContact CB-CD1 3.82Å; R11-I149 HydrophobicContact CG-CD1 4.11Å; I13-I149 HydrophobicContact CG1-CD1 4.3Å; L115-I149 HydrophobicContact CD2-CG2 3.94Å; T120-I149 WeakPolarHBondContact O-CG2 3.41Å; T120-I149 PolarHBondContact O-N 3.44Å; I149-Q151 VanDerWaalsContact C-N 3.26Å; I149-Q151 WeakPolarHBondContact CG1-O 3.38Å; I149-Q151 VanDerWaalsContact CG2-O 3.28Å; I149-Q151 WeakPolarHBondContact CG2-O 3.49Å; I149-Q151 PolarHBondContact O-N 3.33Å; I149-L153 HydrophobicContact CD1-CB 4.18Å; I149-L153 HydrophobicContact CD1-CD1 3.66Å |
| 150 | D | 84.8 | Confident | 86.8 | Confident | 117 Ų | 117 | 52.2 Ų | 52.2 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -63.2 | -31.2 | -174.7 | 62.7 | -32.5 | 0 | 0 | 0 | 113.8 | R11 | R11-D150 IonicContact NH1-OD1 3.17Å; R11-D150 IonicContact NH1-OD2 3.91Å |
| 151 | Q | 83.7 | Confident | 86.8 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -148.6 | 163.8 | 180 | -65.9 | -178.1 | -9.6 | 0 | 0 | 109.5 | I149 L153 | I149-Q151 VanDerWaalsContact C-N 3.26Å; I149-Q151 WeakPolarHBondContact CG1-O 3.38Å; I149-Q151 VanDerWaalsContact CG2-O 3.28Å; I149-Q151 WeakPolarHBondContact CG2-O 3.49Å; I149-Q151 PolarHBondContact O-N 3.33Å; Q151-L153 PolarHBondContact O-N 3.44Å |
| 152 | P | 84.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | trans | -48 | 131.9 | 173.1 | -28.7 | 35.8 | 0 | 0 | 0 | 111.9 | R11 T120 L154 | R11-P152 PolarHBondContact NH2-O 2.99Å; T120-P152 HydrophobicContact CG2-CG 3.95Å; P152-L154 PolarHBondContact O-N 3.49Å | ||
| 153 | L | 85.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -57.4 | -39.4 | -175.7 | -178 | 66.8 | 0 | 0 | 0 | 111.1 | R11 L67 T69 V75 L78 L115 V116 I149 Q151 | R11-L153 HydrophobicContact CB-CD1 4.27Å; R11-L153 HydrophobicContact CG-CD1 4.25Å; L67-L153 HydrophobicContact CD2-CD1 3.76Å; T69-L153 HydrophobicContact CG2-CD1 4.27Å; V75-L153 HydrophobicContact CG1-CD2 4.33Å; L78-L153 HydrophobicContact CD1-CD2 3.76Å; L115-L153 HydrophobicContact CB-CD2 4.27Å; V116-L153 HydrophobicContact CG2-CD2 4.21Å; I149-L153 HydrophobicContact CD1-CB 4.18Å; I149-L153 HydrophobicContact CD1-CD1 3.66Å; Q151-L153 PolarHBondContact O-N 3.44Å |
| 154 | L | 83.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -123.8 | 152.5 | -179.6 | -57.6 | 173.1 | 0 | 0 | 0 | 109.4 | V75 N118 P152 V158 L162 | V75-L154 HydrophobicContact CG1-CD1 4.38Å; V75-L154 HydrophobicContact CG1-CD2 4.38Å; V75-L154 HydrophobicContact CG2-CD2 4.36Å; N118-L154 PolarHBondContact OD1-O 3.49Å; P152-L154 PolarHBondContact O-N 3.49Å; L154-V158 HydrophobicContact CD2-CG1 4.46Å; L154-L162 HydrophobicContact CD1-CD1 3.32Å |
| 155 | S | 81.5 | Confident | 86.4 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | trans | -70 | 151.1 | 168.9 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | E157 V158 Y159 | S155-E157 PolarHBondContact O-N 2.57Å; S155-V158 PolarHBondContact O-N 3.19Å; S155-V158 VanDerWaalsContact OG-CG2 3.31Å; S155-V158 WeakPolarHBondContact OG-CG2 3.33Å; S155-Y159 PolarHBondContact O-N 2.94Å | ||
| 156 | D | 81 | Confident | 86.2 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.4 | -40.2 | 179.5 | -62.6 | -35.7 | 0 | 0 | 0 | 112 | N118 V158 Y159 E160 | N118-D156 PolarHBondContact ND2-OD1 3.44Å; N118-D156 VanDerWaalsContact ND2-OD1 3.12Å; D156-V158 VanDerWaalsContact C-N 3.29Å; D156-V158 PolarHBondContact O-N 3.43Å; D156-Y159 PolarHBondContact O-N 2.92Å; D156-E160 WeakPolarHBondContact O-CG 3.33Å; D156-E160 PolarHBondContact O-N 3.39Å |
| 157 | E | 78 | Confident | 86.1 | Confident | 147 Ų | 147 | 63.6 Ų | 63.6 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.8 | -36.8 | 175.9 | -64.5 | -178.9 | 179.3 | 0 | 0 | 113.7 | S155 Q161 | S155-E157 PolarHBondContact O-N 2.57Å; E157-Q161 VanDerWaalsContact O-CG 3.31Å; E157-Q161 WeakPolarHBondContact O-CG 3.43Å; E157-Q161 PolarHBondContact O-NE2 3.19Å |
| 158 | V | 81.7 | Confident | 85.8 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -78.6 | -45.8 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 109 | L154 S155 D156 E160 Q161 L162 | L154-V158 HydrophobicContact CD2-CG1 4.46Å; S155-V158 PolarHBondContact O-N 3.19Å; S155-V158 VanDerWaalsContact OG-CG2 3.31Å; S155-V158 WeakPolarHBondContact OG-CG2 3.33Å; D156-V158 VanDerWaalsContact C-N 3.29Å; D156-V158 PolarHBondContact O-N 3.43Å; V158-E160 PolarHBondContact O-N 3.22Å; V158-Q161 WeakPolarHBondContact O-CB 3.45Å; V158-Q161 PolarHBondContact O-N 2.87Å; V158-L162 HydrophobicContact CG1-CD1 4.17Å; V158-L162 HydrophobicContact CG1-CG 4.45Å; V158-L162 WeakPolarHBondContact O-CG 3.1Å; V158-L162 PolarHBondContact O-N 3.37Å |
| 159 | Y | 81.6 | Confident | 85.7 | Confident | 88 Ų | 88 | 66 Ų | 66 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | -179.4 | 176 | -110.9 | 0 | 0 | 0 | 112.8 | V116 N118 S155 D156 Q161 L162 | V116-Y159 WeakPolarHBondContact O-CD2 3.44Å; V116-Y159 VanDerWaalsContact O-CE2 3.3Å; V116-Y159 WeakPolarHBondContact O-CE2 3.49Å; N118-Y159 HydrophobicContact CB-CD1 4.4Å; N118-Y159 HydrophobicContact CB-CD2 4.46Å; N118-Y159 HydrophobicContact CB-CE1 4.47Å; N118-Y159 HydrophobicContact CB-CG 4.38Å; S155-Y159 PolarHBondContact O-N 2.94Å; D156-Y159 PolarHBondContact O-N 2.92Å; Y159-Q161 PolarHBondContact O-N 3.03Å; Y159-Q161 VanDerWaalsContact O-N 3.1Å; Y159-L162 PolarHBondContact O-N 3.47Å |
| 160 | E | 81.9 | Confident | 85.6 | Confident | 162 Ų | 162 | 68.2 Ų | 68.2 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.6 | 176.6 | -74.3 | -175.8 | 173.2 | 0 | 0 | 113.7 | D156 V158 | D156-E160 WeakPolarHBondContact O-CG 3.33Å; D156-E160 PolarHBondContact O-N 3.39Å; V158-E160 PolarHBondContact O-N 3.22Å |
| 161 | Q | 82.9 | Confident | 85.9 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -2.7 | 178.9 | -65 | 178.8 | 39.3 | 0 | 0 | 113.1 | E157 V158 Y159 K289 Q292 | E157-Q161 VanDerWaalsContact O-CG 3.31Å; E157-Q161 WeakPolarHBondContact O-CG 3.43Å; E157-Q161 PolarHBondContact O-NE2 3.19Å; V158-Q161 WeakPolarHBondContact O-CB 3.45Å; V158-Q161 PolarHBondContact O-N 2.87Å; Y159-Q161 PolarHBondContact O-N 3.03Å; Y159-Q161 VanDerWaalsContact O-N 3.1Å; Q161-K289 HydrophobicContact CB-CB 4.18Å; Q161-K289 HydrophobicContact CG-CD 4.24Å; Q161-K289 PolarHBondContact O-N 3.45Å; Q161-K289 VanDerWaalsContact O-N 3.12Å; Q161-Q292 PolarHBondContact O-NE2 3.38Å |
| 162 | L | 86 | Confident | 86.2 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | trans | -99.4 | 149 | -178.1 | -62.9 | 177.2 | 0 | 0 | 0 | 111.9 | F72 L154 V158 Y159 L286 D288 | F72-L162 HydrophobicContact CE2-CD2 3.54Å; F72-L162 HydrophobicContact CZ-CD2 3.96Å; L154-L162 HydrophobicContact CD1-CD1 3.32Å; V158-L162 HydrophobicContact CG1-CD1 4.17Å; V158-L162 HydrophobicContact CG1-CG 4.45Å; V158-L162 WeakPolarHBondContact O-CG 3.1Å; V158-L162 PolarHBondContact O-N 3.37Å; Y159-L162 PolarHBondContact O-N 3.47Å; L162-L286 HydrophobicContact CB-CD1 4.22Å; L162-L286 HydrophobicContact CD1-CD1 4.26Å; L162-L286 HydrophobicContact CD1-CD2 4.13Å; L162-L286 HydrophobicContact CD1-CG 4.5Å; L162-L286 HydrophobicContact CD2-CD2 4.34Å; L162-L286 HydrophobicContact CD2-CG 4.29Å; L162-D288 HydrophobicContact CD2-CB 4.33Å | ||
| 163 | N | 88.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.2 | 168.8 | -160.2 | -8.9 | 0 | 0 | 0 | 108.7 | L287 Q292 | N163-L287 PolarHBondContact N-O 3.35Å; N163-L287 PolarHBondContact O-N 3.5Å; N163-Q292 HydrophobicContact CB-CG 4.28Å |
| 164 | I | 89.5 | Confident | 86.5 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.3 | 177.8 | -58.4 | 175.9 | 0 | 0 | 0 | 107.3 | L113 V116 Y166 R284 R285 L286 | L113-I164 HydrophobicContact CD1-CD1 3.35Å; V116-I164 HydrophobicContact CG1-CD1 4.1Å; I164-Y166 HydrophobicContact CB-CE2 3.98Å; I164-Y166 HydrophobicContact CG2-CD2 4.22Å; I164-Y166 HydrophobicContact CG2-CE1 4.39Å; I164-Y166 HydrophobicContact CG2-CE2 3.66Å; I164-R284 HydrophobicContact CG2-CB 4.45Å; I164-R285 WeakPolarHBondContact CA-O 3.21Å; I164-L286 HydrophobicContact CD1-CD1 4.43Å; I164-L286 HydrophobicContact CG1-CD1 3.74Å |
| 165 | I | 89.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.6 | 173.4 | -168.5 | 168.8 | 0 | 0 | 0 | 110 | V167 L193 R285 L287 L295 | I165-V167 HydrophobicContact CG1-CG2 4.42Å; I165-L193 HydrophobicContact CD1-CD1 4.1Å; I165-L193 HydrophobicContact CG2-CD2 3.68Å; I165-R285 HydrophobicContact CG2-CB 3.83Å; I165-R285 PolarHBondContact N-O 3.24Å; I165-R285 PolarHBondContact O-N 3.13Å; I165-L287 HydrophobicContact CB-CD1 3.78Å; I165-L287 HydrophobicContact CB-CG 4.25Å; I165-L287 HydrophobicContact CD1-CD1 4.37Å; I165-L287 HydrophobicContact CG2-CD1 3.81Å; I165-L287 HydrophobicContact CG2-CD2 4.11Å; I165-L287 HydrophobicContact CG2-CG 3.83Å; I165-L295 HydrophobicContact CD1-CD2 4.03Å |
| 166 | Y | 90.2 | Very high | 86.6 | Confident | 68 Ų | 68 | 64 Ų | 64 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.1 | 176.8 | -62.1 | -98.8 | 0 | 0 | 0 | 108.5 | I164 L243 Q282 H283 R284 | I164-Y166 HydrophobicContact CB-CE2 3.98Å; I164-Y166 HydrophobicContact CG2-CD2 4.22Å; I164-Y166 HydrophobicContact CG2-CE1 4.39Å; I164-Y166 HydrophobicContact CG2-CE2 3.66Å; Y166-L243 HydrophobicContact CD1-CD1 4.49Å; Y166-L243 HydrophobicContact CE1-CD1 3.86Å; Y166-L243 HydrophobicContact CE2-CD1 4.4Å; Y166-Q282 HydrophobicContact CD1-CG 4.47Å; Y166-H283 CarbonylContact C-O 3.48Å; Y166-H283 WeakPolarHBondContact CA-O 3.41Å; Y166-R284 HydrophobicContact CD1-CG 3.75Å; Y166-R284 HydrophobicContact CE1-CG 3.8Å |
| 167 | V | 92.1 | Very high | 86.3 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 105.5 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | I165 L191 I204 H283 | I165-V167 HydrophobicContact CG1-CG2 4.42Å; V167-L191 HydrophobicContact CG1-CD1 4.23Å; V167-L191 HydrophobicContact CG1-CD2 3.59Å; V167-L191 HydrophobicContact CG1-CG 4.46Å; V167-I204 HydrophobicContact CB-CD1 4.37Å; V167-I204 HydrophobicContact CG2-CD1 4.04Å; V167-H283 HydrophobicContact CB-CB 4.17Å; V167-H283 PolarHBondContact N-O 3.02Å; V167-H283 WeakPolarHBondContact O-CB 3.49Å; V167-H283 PolarHBondContact O-CD2 3.39Å; V167-H283 PolarHBondContact O-N 3.27Å |
| 168 | N | 90.2 | Very high | 86 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125 | -178.2 | -57.2 | -18.4 | 0 | 0 | 0 | 109.4 | Y224 Q281 Q282 | N168-Y224 HydrophobicContact CB-CE1 3.94Å; N168-Y224 PolarHBondContact ND2-OH 3.48Å; N168-Q281 WeakPolarHBondContact CA-O 3.44Å; N168-Q282 VanDerWaalsContact OD1-CB 3.31Å; N168-Q282 WeakPolarHBondContact OD1-CB 3.23Å; N168-Q282 WeakPolarHBondContact OD1-CG 3.41Å; N168-Q282 PolarHBondContact OD1-NE2 2.93Å; N168-Q282 VanDerWaalsContact OD1-NE2 3.08Å |
| 169 | I | 91.5 | Very high | 85.6 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.5 | 171.3 | -64.4 | 167.6 | 0 | 0 | 0 | 107.4 | A189 L191 S206 W279 N280 Q281 | I169-A189 HydrophobicContact CD1-CB 4.06Å; I169-A189 HydrophobicContact CG2-CB 4.14Å; I169-L191 HydrophobicContact CD1-CD2 4Å; I169-S206 WeakPolarHBondContact CD1-OG 3.26Å; I169-W279 HydrophobicContact CG2-CD2 4.17Å; I169-W279 HydrophobicContact CG2-CE3 3.92Å; I169-W279 HydrophobicContact CG2-CG 4.49Å; I169-W279 HydrophobicContact CG2-CZ3 4.49Å; I169-N280 PolarHBondContact O-N 3.34Å; I169-Q281 PolarHBondContact N-O 3.08Å; I169-Q281 PolarHBondContact O-N 3.44Å |
| 170 | E | 88.8 | Confident | 84.7 | Confident | 58 Ų | 58 | 62 Ų | 62 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -74.1 | -174.2 | -64.5 | 177.2 | -171.2 | 0 | 0 | 111 | Y224 W279 N280 R350 | E170-Y224 HydrophobicContact CG-CE1 4.18Å; E170-Y224 PolarHBondContact OE1-OH 3.48Å; E170-W279 PolarHBondContact O-N 3.26Å; E170-N280 PolarHBondContact O-N 3.12Å; E170-N280 PolarHBondContact O-OD1 3.47Å; E170-R350 IonicContact OE1-CZ 2.8Å; E170-R350 IonicContact OE1-NE 3.57Å; E170-R350 PolarHBondContact OE1-NE 3.16Å; E170-R350 IonicContact OE1-NH2 3.75Å; E170-R350 PolarHBondContact OE1-NH2 2.97Å; E170-R350 IonicContact OE2-NH2 3.3Å |
| 171 | S | 90.7 | Very high | 83.4 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 163.7 | -173 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | V277 | S171-V277 CarbonylContact C-O 3.57Å; S171-V277 WeakPolarHBondContact CA-O 3.43Å; S171-V277 WeakPolarHBondContact CB-O 3.47Å |
| 172 | I | 91.5 | Very high | 81.9 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.5 | 159.5 | -65.5 | 167.4 | 0 | 0 | 0 | 108 | V175 K276 V277 W279 V309 I355 | I172-V175 HydrophobicContact CB-CG1 4.24Å; I172-V175 HydrophobicContact CG2-CG1 3.62Å; I172-K276 WeakPolarHBondContact O-CA 3.48Å; I172-K276 VanDerWaalsContact O-CB 3.27Å; I172-K276 WeakPolarHBondContact O-CB 3.25Å; I172-V277 HydrophobicContact CB-CB 4.27Å; I172-V277 PolarHBondContact N-O 2.94Å; I172-V277 PolarHBondContact O-N 3.38Å; I172-W279 HydrophobicContact CB-CZ3 4.4Å; I172-W279 HydrophobicContact CD1-CH2 3.53Å; I172-W279 HydrophobicContact CD1-CZ3 3.92Å; I172-W279 HydrophobicContact CG1-CH2 3.92Å; I172-W279 HydrophobicContact CG1-CZ3 3.74Å; I172-V309 HydrophobicContact CD1-CB 4.16Å; I172-V309 HydrophobicContact CD1-CG1 3.37Å; I172-V309 HydrophobicContact CD1-CG2 3.93Å; I172-I355 HydrophobicContact CB-CD1 4.5Å; I172-I355 HydrophobicContact CD1-CD1 3.58Å; I172-I355 HydrophobicContact CG1-CD1 3.68Å; I172-I355 HydrophobicContact CG2-CD1 3.96Å |
| 173 | Q | 88.9 | Confident | 80.4 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 23% | 0.229 | 34% | 0.335 | C | S | . | . | trans | -99.8 | 160.4 | 178.8 | -63.6 | 173.2 | 8.5 | 0 | 0 | 110.6 | V175 A270 N271 K276 | Q173-V175 VanDerWaalsContact C-N 3.31Å; Q173-V175 PolarHBondContact O-N 2.87Å; Q173-A270 HydrophobicContact CB-CB 4.29Å; Q173-N271 PolarHBondContact NE2-OD1 3.47Å; Q173-K276 HydrophobicContact CG-CB 4.43Å; Q173-K276 HydrophobicContact CG-CD 4.29Å | ||
| 174 | N | 85.6 | Confident | 79.3 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 54.2 | 46 | 177.5 | -162.9 | 34.2 | 0 | 0 | 0 | 112.7 | K274 | N174-K274 VanDerWaalsContact OD1-CD 3.23Å; N174-K274 WeakPolarHBondContact OD1-CD 3.46Å; N174-K274 WeakPolarHBondContact OD1-CE 3.27Å; N174-K274 PolarHBondContact OD1-NZ 3.36Å |
| 175 | V | 85.9 | Confident | 78.6 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | trans | -65.5 | 147.8 | -178.8 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | I172 Q173 F179 L211 V277 | I172-V175 HydrophobicContact CB-CG1 4.24Å; I172-V175 HydrophobicContact CG2-CG1 3.62Å; Q173-V175 VanDerWaalsContact C-N 3.31Å; Q173-V175 PolarHBondContact O-N 2.87Å; V175-F179 HydrophobicContact CB-CB 4.44Å; V175-F179 HydrophobicContact CB-CD2 3.6Å; V175-F179 HydrophobicContact CB-CE2 4.07Å; V175-F179 HydrophobicContact CB-CG 4.17Å; V175-F179 HydrophobicContact CG1-CD2 3.74Å; V175-F179 HydrophobicContact CG1-CE2 3.91Å; V175-F179 HydrophobicContact CG2-CB 4.4Å; V175-F179 HydrophobicContact CG2-CD2 4.28Å; V175-L211 HydrophobicContact CG2-CD1 3.74Å; V175-V277 HydrophobicContact CG1-CG2 4.11Å | ||
| 176 | P | 81.8 | Confident | 78.5 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -60.7 | 150.3 | 174.9 | -21.9 | 32.9 | 0 | 0 | 0 | 112.5 | T178 F179 | P176-T178 PolarHBondContact O-N 3.08Å; P176-T178 VanDerWaalsContact O-N 3.08Å; P176-F179 HydrophobicContact CB-CD1 4.42Å; P176-F179 HydrophobicContact CG-CD1 4.44Å; P176-F179 HydrophobicContact CG-CE1 4.16Å; P176-F179 WeakPolarHBondContact O-CB 3.13Å; P176-F179 PolarHBondContact O-N 3.02Å | ||
| 177 | E | 74.1 | Confident | 78.5 | Confident | 165 Ų | 165 | 66.2 Ų | 66.2 | 77% | 0.771 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -60.6 | -22.7 | 177.9 | -67.4 | -179.3 | -179.6 | 0 | 0 | 113.5 | F179 H180 | E177-F179 PolarHBondContact O-N 3.36Å; E177-F179 VanDerWaalsContact O-N 3.1Å; E177-H180 VanDerWaalsContact CA-CD2 3.46Å; E177-H180 WeakPolarHBondContact CA-CD2 3.24Å; E177-H180 VanDerWaalsContact O-CB 3.24Å; E177-H180 WeakPolarHBondContact O-CB 3.4Å; E177-H180 PolarHBondContact O-N 3.21Å |
| 178 | T | 72.3 | Confident | 78.5 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -63.2 | -15.2 | 174.8 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | P176 H180 H330 | P176-T178 PolarHBondContact O-N 3.08Å; P176-T178 VanDerWaalsContact O-N 3.08Å; T178-H180 VanDerWaalsContact C-N 3.29Å; T178-H330 PolarHBondContact OG1-NE2 3.23Å |
| 179 | F | 73.7 | Confident | 78.7 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.4 | -14.7 | 172.9 | -70.8 | 25.5 | 0 | 0 | 0 | 111.4 | V175 P176 E177 T181 F187 V277 H330 | V175-F179 HydrophobicContact CB-CB 4.44Å; V175-F179 HydrophobicContact CB-CD2 3.6Å; V175-F179 HydrophobicContact CB-CE2 4.07Å; V175-F179 HydrophobicContact CB-CG 4.17Å; V175-F179 HydrophobicContact CG1-CD2 3.74Å; V175-F179 HydrophobicContact CG1-CE2 3.91Å; V175-F179 HydrophobicContact CG2-CB 4.4Å; V175-F179 HydrophobicContact CG2-CD2 4.28Å; P176-F179 HydrophobicContact CB-CD1 4.42Å; P176-F179 HydrophobicContact CG-CD1 4.44Å; P176-F179 HydrophobicContact CG-CE1 4.16Å; P176-F179 WeakPolarHBondContact O-CB 3.13Å; P176-F179 PolarHBondContact O-N 3.02Å; E177-F179 PolarHBondContact O-N 3.36Å; E177-F179 VanDerWaalsContact O-N 3.1Å; F179-T181 PolarHBondContact O-N 3.19Å; F179-F187 HydrophobicContact CB-CZ 4.11Å; F179-F187 HydrophobicContact CD1-CE1 4.49Å; F179-F187 HydrophobicContact CD2-CD1 4.39Å; F179-F187 AromaticContact CD2-CE1 3.33Å; F179-F187 HydrophobicContact CD2-CE1 3.33Å; F179-F187 HydrophobicContact CD2-CE2 4.29Å; F179-F187 AromaticContact CD2-CZ 3.26Å; F179-F187 HydrophobicContact CD2-CZ 3.26Å; F179-F187 HydrophobicContact CE1-CE1 4.41Å; F179-F187 HydrophobicContact CE2-CD1 4.03Å; F179-F187 AromaticContact CE2-CE1 3.22Å; F179-F187 HydrophobicContact CE2-CE1 3.22Å; F179-F187 AromaticContact CE2-CZ 3.73Å; F179-F187 HydrophobicContact CE2-CZ 3.73Å; F179-F187 HydrophobicContact CG-CE1 4Å; F179-F187 AromaticContact CG-CZ 3.73Å; F179-F187 HydrophobicContact CG-CZ 3.73Å; F179-F187 AromaticContact CZ-CE1 3.82Å; F179-F187 HydrophobicContact CZ-CE1 3.82Å; F179-V277 HydrophobicContact CD2-CG2 4.41Å; F179-H330 AromaticContact CD1-CD2 3.9Å; F179-H330 HydrophobicContact CE1-CB 3.92Å; F179-H330 AromaticContact CE1-CD2 3.47Å; F179-H330 VanDerWaalsContact CE1-CD2 3.47Å; F179-H330 WeakPolarHBondContact CE1-CD2 3.25Å; F179-H330 AromaticContact CE1-CG 3.76Å; F179-H330 HydrophobicContact CZ-CB 4.22Å |
| 180 | H | 62.9 | Low | 78.8 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | trans | -84.3 | 30.9 | -176.9 | -58.1 | -35.7 | 0 | 0 | 0 | 114.7 | E177 T178 L211 | E177-H180 VanDerWaalsContact CA-CD2 3.46Å; E177-H180 WeakPolarHBondContact CA-CD2 3.24Å; E177-H180 VanDerWaalsContact O-CB 3.24Å; E177-H180 WeakPolarHBondContact O-CB 3.4Å; E177-H180 PolarHBondContact O-N 3.21Å; T178-H180 VanDerWaalsContact C-N 3.29Å; H180-L211 WeakPolarHBondContact ND1-CD2 3.23Å | ||
| 181 | T | 55 | Low | 79.1 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -83.1 | 147.8 | 175.7 | 41 | 0 | 0 | 0 | 0 | 111.3 | F179 D183 Y185 | F179-T181 PolarHBondContact O-N 3.19Å; T181-D183 PolarHBondContact O-N 3.05Å; T181-Y185 WeakPolarHBondContact OG1-CD2 3.38Å; T181-Y185 WeakPolarHBondContact OG1-CE2 3.09Å |
| 182 | K | 50.3 | Low | 79.1 | Confident | 213 Ų | 213 | 57.4 Ų | 57.4 | 93% | 0.926 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61.1 | -2.1 | -178.4 | -72.2 | -177.1 | 175.9 | 179 | 0 | 115.5 | ||
| 183 | D | 55.1 | Low | 79 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -85.2 | 145 | -179.2 | -52.1 | -47.4 | 0 | 0 | 0 | 111.4 | T181 Y185 | T181-D183 PolarHBondContact O-N 3.05Å; D183-Y185 VanDerWaalsContact C-N 3.27Å; D183-Y185 HydrophobicContact CB-CD2 3.96Å; D183-Y185 HydrophobicContact CB-CE2 3.59Å; D183-Y185 WeakPolarHBondContact O-CD2 3.48Å; D183-Y185 PolarHBondContact O-N 3.1Å |
| 184 | H | 64.5 | Low | 78.6 | Confident | 168 Ų | 168 | 54.4 Ų | 54.4 | 78% | 0.778 | 27% | 0.274 | S | S | * | . | trans | -75.7 | 81 | 175.8 | -68.2 | 73.7 | 0 | 0 | 0 | 109.9 | ||||
| 185 | Y | 75.8 | Confident | 77.8 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.9 | 175.5 | -82.3 | -71.5 | 0 | 0 | 0 | 111.4 | T181 D183 C311 Q313 | T181-Y185 WeakPolarHBondContact OG1-CD2 3.38Å; T181-Y185 WeakPolarHBondContact OG1-CE2 3.09Å; D183-Y185 VanDerWaalsContact C-N 3.27Å; D183-Y185 HydrophobicContact CB-CD2 3.96Å; D183-Y185 HydrophobicContact CB-CE2 3.59Å; D183-Y185 WeakPolarHBondContact O-CD2 3.48Å; D183-Y185 PolarHBondContact O-N 3.1Å; Y185-C311 WeakPolarHBondContact CB-SG 3.11Å; Y185-C311 HydrophobicContact CD1-CB 4.31Å; Y185-C311 WeakPolarHBondContact CD1-SG 3.45Å; Y185-C311 VanDerWaalsContact CG-SG 3.6Å; Y185-Q313 HydrophobicContact CD1-CG 3.94Å; Y185-Q313 HydrophobicContact CE1-CG 3.29Å; Y185-Q313 PolarHBondContact OH-NE2 3.27Å |
| 186 | N | 86.4 | Confident | 76.9 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 108.6 | 171.5 | 177.4 | 13.7 | 0 | 0 | 0 | 108.8 | K208 I312 | N186-K208 WeakPolarHBondContact OD1-CA 3.45Å; N186-K208 PolarHBondContact OD1-N 3.37Å; N186-I312 PolarHBondContact N-O 3.05Å; N186-I312 VanDerWaalsContact N-O 3.15Å; N186-I312 PolarHBondContact O-N 2.86Å |
| 187 | F | 91.2 | Very high | 75.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.1 | 175.1 | -66 | -86.1 | 0 | 0 | 0 | 110.5 | F179 G209 V277 W279 C311 | F179-F187 HydrophobicContact CB-CZ 4.11Å; F179-F187 HydrophobicContact CD1-CE1 4.49Å; F179-F187 HydrophobicContact CD2-CD1 4.39Å; F179-F187 AromaticContact CD2-CE1 3.33Å; F179-F187 HydrophobicContact CD2-CE1 3.33Å; F179-F187 HydrophobicContact CD2-CE2 4.29Å; F179-F187 AromaticContact CD2-CZ 3.26Å; F179-F187 HydrophobicContact CD2-CZ 3.26Å; F179-F187 HydrophobicContact CE1-CE1 4.41Å; F179-F187 HydrophobicContact CE2-CD1 4.03Å; F179-F187 AromaticContact CE2-CE1 3.22Å; F179-F187 HydrophobicContact CE2-CE1 3.22Å; F179-F187 AromaticContact CE2-CZ 3.73Å; F179-F187 HydrophobicContact CE2-CZ 3.73Å; F179-F187 HydrophobicContact CG-CE1 4Å; F179-F187 AromaticContact CG-CZ 3.73Å; F179-F187 HydrophobicContact CG-CZ 3.73Å; F179-F187 AromaticContact CZ-CE1 3.82Å; F179-F187 HydrophobicContact CZ-CE1 3.82Å; F187-G209 WeakPolarHBondContact CB-O 3.25Å; F187-G209 WeakPolarHBondContact CD2-O 3.43Å; F187-G209 PolarHBondContact N-O 2.9Å; F187-G209 WeakPolarHBondContact O-CA 3.27Å; F187-G209 PolarHBondContact O-N 3.14Å; F187-V277 HydrophobicContact CB-CG1 3.58Å; F187-V277 HydrophobicContact CD1-CG2 4.23Å; F187-V277 HydrophobicContact CD2-CB 4.41Å; F187-V277 HydrophobicContact CD2-CG1 3.88Å; F187-V277 HydrophobicContact CD2-CG2 3.55Å; F187-V277 HydrophobicContact CE1-CG2 4.38Å; F187-V277 HydrophobicContact CE2-CG2 3.72Å; F187-V277 HydrophobicContact CG-CB 4.48Å; F187-V277 HydrophobicContact CG-CG1 3.81Å; F187-V277 HydrophobicContact CG-CG2 3.83Å; F187-V277 HydrophobicContact CZ-CG2 4.14Å; F187-W279 HydrophobicContact CB-CH2 4.19Å; F187-W279 HydrophobicContact CB-CZ2 3.69Å; F187-W279 PolarHBondContact O-NE1 3.48Å; F187-W279 VanDerWaalsContact O-NE1 3.15Å; F187-C311 HydrophobicContact CD1-CB 4.01Å; F187-C311 HydrophobicContact CE1-CB 3.93Å; F187-C311 VanDerWaalsContact CE1-SG 3.54Å |
| 188 | V | 92.6 | Very high | 75.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.6 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | I205 S206 V309 F310 I312 V377 | V188-I205 HydrophobicContact CG1-CG2 3.8Å; V188-S206 WeakPolarHBondContact CA-O 3.49Å; V188-V309 WeakPolarHBondContact O-CA 3.42Å; V188-F310 HydrophobicContact CB-CD2 4.44Å; V188-F310 HydrophobicContact CB-CE1 4.33Å; V188-F310 HydrophobicContact CB-CE2 4.01Å; V188-F310 HydrophobicContact CB-CZ 3.95Å; V188-F310 HydrophobicContact CG1-CE1 4.15Å; V188-F310 HydrophobicContact CG1-CE2 4.3Å; V188-F310 HydrophobicContact CG1-CZ 3.78Å; V188-F310 HydrophobicContact CG2-CE2 4.46Å; V188-F310 PolarHBondContact N-O 3.28Å; V188-F310 PolarHBondContact O-N 3Å; V188-I312 HydrophobicContact CG2-CD1 3.7Å; V188-I312 HydrophobicContact CG2-CG1 4.2Å; V188-V377 HydrophobicContact CG1-CG1 3.84Å |
| 189 | A | 94.4 | Very high | 74.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I169 S206 W279 E308 V309 | I169-A189 HydrophobicContact CD1-CB 4.06Å; I169-A189 HydrophobicContact CG2-CB 4.14Å; A189-S206 PolarHBondContact N-O 3.17Å; A189-S206 PolarHBondContact O-N 3.34Å; A189-W279 HydrophobicContact CB-CH2 4.32Å; A189-W279 HydrophobicContact CB-CZ2 3.96Å; A189-E308 CarbonylContact C-O 3.57Å; A189-E308 VanDerWaalsContact CA-O 3.3Å; A189-E308 WeakPolarHBondContact CA-O 3.41Å; A189-V309 HydrophobicContact CB-CG2 4.23Å |
| 190 | A | 94.2 | Very high | 74.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I204 I205 V307 E308 L373 V377 | A190-I204 CarbonylContact C-O 3.58Å; A190-I204 WeakPolarHBondContact CA-O 3.36Å; A190-I205 HydrophobicContact CB-CG1 4.44Å; A190-V307 CarbonylContact O-C 3.56Å; A190-E308 PolarHBondContact N-O 3.42Å; A190-E308 PolarHBondContact O-N 2.72Å; A190-L373 HydrophobicContact CB-CD1 4.47Å; A190-V377 HydrophobicContact CB-CG2 3.71Å |
| 191 | L | 94.1 | Very high | 74.7 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150 | 177.7 | 59.3 | 91.3 | 0 | 0 | 0 | 111.3 | V167 I169 L193 A203 I204 L305 P306 V307 L373 | V167-L191 HydrophobicContact CG1-CD1 4.23Å; V167-L191 HydrophobicContact CG1-CD2 3.59Å; V167-L191 HydrophobicContact CG1-CG 4.46Å; I169-L191 HydrophobicContact CD1-CD2 4Å; L191-L193 HydrophobicContact CD1-CB 4.45Å; L191-A203 WeakPolarHBondContact O-CA 3.5Å; L191-I204 HydrophobicContact CD1-CB 3.8Å; L191-I204 HydrophobicContact CD1-CD1 3.95Å; L191-I204 HydrophobicContact CD1-CG1 4.19Å; L191-I204 HydrophobicContact CD1-CG2 4.38Å; L191-I204 HydrophobicContact CG-CB 4.04Å; L191-I204 HydrophobicContact CG-CG2 4.4Å; L191-I204 PolarHBondContact N-O 3.38Å; L191-I204 PolarHBondContact O-N 3.29Å; L191-L305 HydrophobicContact CD1-CD2 4.26Å; L191-P306 WeakPolarHBondContact CB-O 3.45Å; L191-V307 HydrophobicContact CB-CG2 4.14Å; L191-V307 HydrophobicContact CD2-CG1 4.48Å; L191-V307 HydrophobicContact CD2-CG2 3.95Å; L191-L373 VanDerWaalsContact C-CD1 3.49Å |
| 192 | P | 91.4 | Very high | 75.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.9 | 179.3 | 31.4 | -28.4 | 0 | 0 | 0 | 110.6 | E201 L305 P306 L373 | P192-E201 HydrophobicContact CB-CB 4.24Å; P192-E201 WeakPolarHBondContact CB-OE2 3.25Å; P192-L305 HydrophobicContact CG-CD1 4.23Å; P192-L305 VanDerWaalsContact O-CD1 3.28Å; P192-L305 WeakPolarHBondContact O-CD1 3.32Å; P192-P306 VanDerWaalsContact CD-O 3.23Å; P192-P306 WeakPolarHBondContact CD-O 3.45Å; P192-P306 HydrophobicContact CG-CG 3.96Å; P192-L373 HydrophobicContact CB-CD1 4.1Å; P192-L373 HydrophobicContact CB-CD2 4.4Å; P192-L373 HydrophobicContact CG-CD1 4.26Å |
| 193 | L | 88.4 | Confident | 77.5 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.4 | 173.2 | -171.8 | 69.1 | 0 | 0 | 0 | 111.2 | I165 L191 T195 N202 I204 R285 L295 | I165-L193 HydrophobicContact CD1-CD1 4.1Å; I165-L193 HydrophobicContact CG2-CD2 3.68Å; L191-L193 HydrophobicContact CD1-CB 4.45Å; L193-T195 HydrophobicContact CB-CG2 4.43Å; L193-T195 HydrophobicContact CD2-CG2 3.81Å; L193-T195 HydrophobicContact CG-CG2 4.02Å; L193-T195 PolarHBondContact O-N 3.27Å; L193-N202 PolarHBondContact N-O 2.97Å; L193-N202 PolarHBondContact O-N 3.34Å; L193-I204 HydrophobicContact CB-CD1 3.81Å; L193-I204 HydrophobicContact CB-CG1 4.17Å; L193-I204 HydrophobicContact CD2-CD1 3.46Å; L193-I204 VanDerWaalsContact CD2-CD1 3.46Å; L193-I204 HydrophobicContact CG-CD1 4.27Å; L193-R285 HydrophobicContact CD2-CB 4.13Å; L193-R285 HydrophobicContact CD2-CG 4.12Å; L193-L295 HydrophobicContact CD1-CD1 4.3Å |
| 194 | I | 81 | Confident | 79.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.2 | 172.5 | -59.6 | 170.8 | 0 | 0 | 0 | 107.3 | E201 L287 K298 | I194-E201 HydrophobicContact CG1-CG 3.86Å; I194-L287 WeakPolarHBondContact O-CD2 3.42Å; I194-K298 HydrophobicContact CD1-CD 3.68Å |
| 195 | T | 68.8 | Low | 80.4 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 9% | 0.092 | 18% | 0.175 | C | C | . | . | trans | -118 | -2.5 | 177.8 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | L193 N202 R285 | L193-T195 HydrophobicContact CB-CG2 4.43Å; L193-T195 HydrophobicContact CD2-CG2 3.81Å; L193-T195 HydrophobicContact CG-CG2 4.02Å; L193-T195 PolarHBondContact O-N 3.27Å; T195-N202 PolarHBondContact OG1-ND2 3.22Å; T195-N202 VanDerWaalsContact OG1-ND2 3.14Å; T195-R285 HydrophobicContact CG2-CB 4Å; T195-R285 HydrophobicContact CG2-CG 3.97Å | ||
| 196 | S | 67.2 | Low | 81.1 | Confident | 32 Ų | 32 | 31.2 Ų | 31.2 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -132.4 | 153.4 | -177.8 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | E198 N199 S291 | S196-E198 PolarHBondContact O-N 2.85Å; S196-E198 VanDerWaalsContact O-N 3.16Å; S196-N199 PolarHBondContact O-N 3.49Å; S196-S291 VanDerWaalsContact C-OG 3.29Å; S196-S291 PolarHBondContact N-OG 2.88Å; S196-S291 PolarHBondContact O-OG 2.97Å |
| 197 | S | 60.2 | Low | 81.2 | Confident | 69 Ų | 69 | 30.5 Ų | 30.5 | 48% | 0.483 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.9 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | N199 S290 K294 | S197-N199 PolarHBondContact O-N 3.06Å; S197-S290 WeakPolarHBondContact CB-OG 3.4Å; S197-K294 PolarHBondContact O-NZ 2.87Å |
| 198 | E | 59 | Low | 80.9 | Confident | 148 Ų | 148 | 35.5 Ų | 35.5 | 69% | 0.692 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 5.5 | -178.3 | -63.6 | -170.3 | 161.5 | 0 | 0 | 114.4 | S196 I200 | S196-E198 PolarHBondContact O-N 2.85Å; S196-E198 VanDerWaalsContact O-N 3.16Å; E198-I200 HydrophobicContact CB-CD1 3.94Å; E198-I200 HydrophobicContact CB-CG1 4Å; E198-I200 PolarHBondContact O-N 3.28Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.03Å |
| 199 | N | 59.6 | Low | 80.6 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 52% | 0.524 | 19% | 0.187 | S | C | . | . | trans | 61.1 | 20.9 | -179.1 | -130.2 | 14.8 | 0 | 0 | 0 | 113.5 | S196 S197 | S196-N199 PolarHBondContact O-N 3.49Å; S197-N199 PolarHBondContact O-N 3.06Å | ||
| 200 | I | 67.4 | Low | 80.2 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 44% | 0.441 | 21% | 0.207 | S | C | . | . | trans | -86.8 | 119.7 | 177.1 | -59.1 | 173.7 | 0 | 0 | 0 | 107.9 | E198 N202 | E198-I200 HydrophobicContact CB-CD1 3.94Å; E198-I200 HydrophobicContact CB-CG1 4Å; E198-I200 PolarHBondContact O-N 3.28Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.03Å; I200-N202 PolarHBondContact O-N 2.99Å | ||
| 201 | E | 71.3 | Confident | 79.9 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 112.5 | 177.6 | -67.4 | -179.5 | -144.7 | 0 | 0 | 110.4 | P192 I194 K298 R369 | P192-E201 HydrophobicContact CB-CB 4.24Å; P192-E201 WeakPolarHBondContact CB-OE2 3.25Å; I194-E201 HydrophobicContact CG1-CG 3.86Å; E201-K298 IonicContact OE1-NZ 3.18Å; E201-K298 PolarHBondContact OE1-NZ 2.94Å; E201-K298 IonicContact OE2-NZ 2.69Å; E201-K298 PolarHBondContact OE2-NZ 3.3Å; E201-R369 IonicContact OE1-NH1 3.58Å; E201-R369 PolarHBondContact OE1-NH1 3.36Å; E201-R369 IonicContact OE2-CZ 2.62Å; E201-R369 VanDerWaalsContact OE2-CZ 3.3Å; E201-R369 IonicContact OE2-NE 3.6Å; E201-R369 IonicContact OE2-NH1 3.13Å; E201-R369 PolarHBondContact OE2-NH1 2.73Å |
| 202 | N | 80 | Confident | 79.5 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133 | 176.1 | -74.3 | -41.7 | 0 | 0 | 0 | 110.2 | L193 T195 I200 I204 | L193-N202 PolarHBondContact N-O 2.97Å; L193-N202 PolarHBondContact O-N 3.34Å; T195-N202 PolarHBondContact OG1-ND2 3.22Å; T195-N202 VanDerWaalsContact OG1-ND2 3.14Å; I200-N202 PolarHBondContact O-N 2.99Å; N202-I204 PolarHBondContact O-N 2.8Å |
| 203 | A | 84.7 | Confident | 79.1 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L191 I205 L373 V377 | L191-A203 WeakPolarHBondContact O-CA 3.5Å; A203-I205 HydrophobicContact CB-CD1 4.36Å; A203-I205 HydrophobicContact CB-CG1 4.13Å; A203-L373 HydrophobicContact CB-CD1 4.41Å; A203-L373 HydrophobicContact CB-CD2 4.23Å; A203-V377 HydrophobicContact CB-CG2 4.08Å |
| 204 | I | 88.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.9 | 160.1 | -67.9 | -175.2 | 0 | 0 | 0 | 107 | V167 A190 L191 L193 N202 H283 R285 | V167-I204 HydrophobicContact CB-CD1 4.37Å; V167-I204 HydrophobicContact CG2-CD1 4.04Å; A190-I204 CarbonylContact C-O 3.58Å; A190-I204 WeakPolarHBondContact CA-O 3.36Å; L191-I204 HydrophobicContact CD1-CB 3.8Å; L191-I204 HydrophobicContact CD1-CD1 3.95Å; L191-I204 HydrophobicContact CD1-CG1 4.19Å; L191-I204 HydrophobicContact CD1-CG2 4.38Å; L191-I204 HydrophobicContact CG-CB 4.04Å; L191-I204 HydrophobicContact CG-CG2 4.4Å; L191-I204 PolarHBondContact N-O 3.38Å; L191-I204 PolarHBondContact O-N 3.29Å; L193-I204 HydrophobicContact CB-CD1 3.81Å; L193-I204 HydrophobicContact CB-CG1 4.17Å; L193-I204 HydrophobicContact CD2-CD1 3.46Å; L193-I204 VanDerWaalsContact CD2-CD1 3.46Å; L193-I204 HydrophobicContact CG-CD1 4.27Å; N202-I204 PolarHBondContact O-N 2.8Å; I204-H283 HydrophobicContact CG2-CB 4.05Å; I204-H283 VanDerWaalsContact CG2-CG 3.47Å; I204-H283 WeakPolarHBondContact CG2-ND1 3.39Å; I204-R285 HydrophobicContact CD1-CG 4.2Å |
| 205 | I | 91.2 | Very high | 78.3 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.1 | -171.4 | -58.2 | 164.4 | 0 | 0 | 0 | 108.9 | V188 A190 A203 N207 H283 V377 K380 V381 | V188-I205 HydrophobicContact CG1-CG2 3.8Å; A190-I205 HydrophobicContact CB-CG1 4.44Å; A203-I205 HydrophobicContact CB-CD1 4.36Å; A203-I205 HydrophobicContact CB-CG1 4.13Å; I205-N207 HydrophobicContact CG2-CB 4.47Å; I205-H283 PolarHBondContact O-CE1 3.26Å; I205-H283 VanDerWaalsContact O-CE1 3.23Å; I205-V377 HydrophobicContact CD1-CB 4.25Å; I205-V377 HydrophobicContact CD1-CG1 3.88Å; I205-V377 HydrophobicContact CD1-CG2 3.97Å; I205-V377 HydrophobicContact CG1-CG1 3.97Å; I205-V377 HydrophobicContact CG1-CG2 3.91Å; I205-V377 HydrophobicContact CG2-CG1 3.88Å; I205-K380 HydrophobicContact CD1-CB 4.1Å; I205-K380 HydrophobicContact CD1-CD 3.79Å; I205-V381 HydrophobicContact CG2-CG2 4.24Å |
| 206 | S | 92.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.2 | 165.1 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | I169 V188 A189 W279 Q281 H283 | I169-S206 WeakPolarHBondContact CD1-OG 3.26Å; V188-S206 WeakPolarHBondContact CA-O 3.49Å; A189-S206 PolarHBondContact N-O 3.17Å; A189-S206 PolarHBondContact O-N 3.34Å; S206-W279 PolarHBondContact O-NE1 2.97Å; S206-W279 VanDerWaalsContact O-NE1 3.16Å; S206-Q281 PolarHBondContact OG-OE1 3.01Å; S206-H283 PolarHBondContact OG-NE2 3.1Å |
| 207 | N | 87.6 | Confident | 78.7 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 175.9 | 179.2 | 71.1 | 4.4 | 0 | 0 | 0 | 111.1 | I205 G209 Q281 Q384 | I205-N207 HydrophobicContact CG2-CB 4.47Å; N207-G209 VanDerWaalsContact C-N 3.26Å; N207-G209 PolarHBondContact O-N 3.11Å; N207-Q281 PolarHBondContact O-NE2 3.32Å; N207-Q384 PolarHBondContact ND2-OE1 3.15Å; N207-Q384 VanDerWaalsContact ND2-OE1 3.17Å |
| 208 | K | 84.5 | Confident | 79.1 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | 33.2 | 178.9 | -57.3 | 174.5 | -178.7 | 173.4 | 0 | 112.8 | N186 Y210 | N186-K208 WeakPolarHBondContact OD1-CA 3.45Å; N186-K208 PolarHBondContact OD1-N 3.37Å; K208-Y210 HydrophobicContact CB-CE2 3.81Å; K208-Y210 WeakPolarHBondContact O-CD2 3.35Å; K208-Y210 WeakPolarHBondContact O-CE2 3.36Å; K208-Y210 PolarHBondContact O-N 3Å |
| 209 | G | 87.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 116.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F187 N207 W279 | F187-G209 WeakPolarHBondContact CB-O 3.25Å; F187-G209 WeakPolarHBondContact CD2-O 3.43Å; F187-G209 PolarHBondContact N-O 2.9Å; F187-G209 WeakPolarHBondContact O-CA 3.27Å; F187-G209 PolarHBondContact O-N 3.14Å; N207-G209 VanDerWaalsContact C-N 3.26Å; N207-G209 PolarHBondContact O-N 3.11Å; G209-W279 VanDerWaalsContact CA-NE1 3.32Å |
| 210 | Y | 86 | Confident | 79.9 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 149.1 | 178.7 | -62.8 | -66.4 | 0 | 0 | 0 | 110.6 | K208 K212 V277 V278 | K208-Y210 HydrophobicContact CB-CE2 3.81Å; K208-Y210 WeakPolarHBondContact O-CD2 3.35Å; K208-Y210 WeakPolarHBondContact O-CE2 3.36Å; K208-Y210 PolarHBondContact O-N 3Å; Y210-K212 PolarHBondContact O-N 3.33Å; Y210-V277 WeakPolarHBondContact O-CA 3.45Å; Y210-V278 PolarHBondContact O-N 3.04Å; Y210-V278 VanDerWaalsContact O-N 3.09Å |
| 211 | L | 86.6 | Confident | 80 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122 | 173.4 | -170.3 | 71.8 | 0 | 0 | 0 | 109.4 | V175 H180 N275 V277 | V175-L211 HydrophobicContact CG2-CD1 3.74Å; H180-L211 WeakPolarHBondContact ND1-CD2 3.23Å; L211-N275 HydrophobicContact CD1-CB 3.71Å; L211-N275 HydrophobicContact CD2-CB 4.16Å; L211-N275 HydrophobicContact CG-CB 3.88Å; L211-V277 HydrophobicContact CD1-CG2 4.14Å |
| 212 | K | 86.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.7 | -179.6 | -58.5 | -53.2 | -154.9 | 143.6 | 0 | 110.4 | Y210 D216 E218 Y219 N275 K276 V278 | Y210-K212 PolarHBondContact O-N 3.33Å; K212-D216 HydrophobicContact CB-CB 4.41Å; K212-D216 VanDerWaalsContact CD-OD2 3.29Å; K212-D216 WeakPolarHBondContact CD-OD2 3.22Å; K212-D216 IonicContact NZ-OD1 3.21Å; K212-D216 IonicContact NZ-OD2 2.62Å; K212-D216 PolarHBondContact NZ-OD2 2.78Å; K212-E218 WeakPolarHBondContact CE-OE2 3.47Å; K212-E218 IonicContact NZ-OE2 3.92Å; K212-E218 PolarHBondContact NZ-OE2 3.17Å; K212-Y219 HydrophobicContact CB-CD2 4.09Å; K212-Y219 WeakPolarHBondContact O-CD2 3.47Å; K212-N275 VanDerWaalsContact O-CA 3.23Å; K212-N275 WeakPolarHBondContact O-CA 3.49Å; K212-N275 WeakPolarHBondContact O-CB 3.26Å; K212-K276 PolarHBondContact N-O 3.4Å; K212-K276 PolarHBondContact O-N 2.99Å; K212-V278 HydrophobicContact CB-CG2 4.1Å; K212-V278 HydrophobicContact CG-CB 4.09Å; K212-V278 HydrophobicContact CG-CG2 3.89Å |
| 213 | S | 82.6 | Confident | 79.6 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | trans | -89 | 157.3 | 171.8 | 59 | 0 | 0 | 0 | 0 | 111.2 | S215 D216 Y219 N275 | S213-S215 PolarHBondContact O-N 3.49Å; S213-S215 PolarHBondContact OG-OG 3.44Å; S213-D216 WeakPolarHBondContact O-CB 3.47Å; S213-D216 PolarHBondContact O-N 3.09Å; S213-Y219 WeakPolarHBondContact O-CB 3.28Å; S213-Y219 WeakPolarHBondContact O-CD2 3.44Å; S213-N275 VanDerWaalsContact CA-OD1 3.25Å; S213-N275 WeakPolarHBondContact CA-OD1 3.43Å; S213-N275 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 214 | P | 78.5 | Confident | 79.6 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 31% | 0.312 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21 | 177 | -27.7 | 35.1 | 0 | 0 | 0 | 115 | Y219 S272 | P214-Y219 HydrophobicContact CB-CE2 4.41Å; P214-Y219 HydrophobicContact CG-CE2 3.95Å; P214-S272 WeakPolarHBondContact CB-O 3.5Å; P214-S272 WeakPolarHBondContact CG-O 3.32Å |
| 215 | S | 74 | Confident | 79.5 | Confident | 108 Ų | 108 | 53.6 Ų | 53.6 | 76% | 0.755 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.1 | 175.9 | 62 | 0 | 0 | 0 | 0 | 114.8 | S213 | S213-S215 PolarHBondContact O-N 3.49Å; S213-S215 PolarHBondContact OG-OG 3.44Å |
| 216 | D | 76.3 | Confident | 79.2 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -81.6 | 132.7 | 178.8 | -167.8 | -39.8 | 0 | 0 | 0 | 109.8 | K212 S213 E218 Y219 | K212-D216 HydrophobicContact CB-CB 4.41Å; K212-D216 VanDerWaalsContact CD-OD2 3.29Å; K212-D216 WeakPolarHBondContact CD-OD2 3.22Å; K212-D216 IonicContact NZ-OD1 3.21Å; K212-D216 IonicContact NZ-OD2 2.62Å; K212-D216 PolarHBondContact NZ-OD2 2.78Å; S213-D216 WeakPolarHBondContact O-CB 3.47Å; S213-D216 PolarHBondContact O-N 3.09Å; D216-E218 PolarHBondContact O-N 2.95Å; D216-E218 PolarHBondContact OD1-N 2.6Å; D216-Y219 WeakPolarHBondContact O-CB 3.47Å; D216-Y219 PolarHBondContact O-N 3.21Å |
| 217 | A | 67.5 | Low | 78.8 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -59.3 | -31.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y219 | A217-Y219 PolarHBondContact O-N 3.41Š|
| 218 | E | 69.1 | Low | 78.2 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -72.2 | -10.5 | 176.6 | -63.1 | -169.3 | 146.2 | 0 | 0 | 113.1 | K212 D216 K225 | K212-E218 WeakPolarHBondContact CE-OE2 3.47Å; K212-E218 IonicContact NZ-OE2 3.92Å; K212-E218 PolarHBondContact NZ-OE2 3.17Å; D216-E218 PolarHBondContact O-N 2.95Å; D216-E218 PolarHBondContact OD1-N 2.6Å; E218-K225 VanDerWaalsContact CD-NZ 3.29Å; E218-K225 IonicContact OE1-NZ 3.43Å; E218-K225 PolarHBondContact OE1-NZ 3.12Å; E218-K225 IonicContact OE2-NZ 2.82Å |
| 219 | Y | 69.4 | Low | 77.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66.6 | -39.1 | -178.9 | -171.9 | -78.5 | 0 | 0 | 0 | 112 | K212 S213 P214 D216 A217 A270 N271 K274 K276 | K212-Y219 HydrophobicContact CB-CD2 4.09Å; K212-Y219 WeakPolarHBondContact O-CD2 3.47Å; S213-Y219 WeakPolarHBondContact O-CB 3.28Å; S213-Y219 WeakPolarHBondContact O-CD2 3.44Å; P214-Y219 HydrophobicContact CB-CE2 4.41Å; P214-Y219 HydrophobicContact CG-CE2 3.95Å; D216-Y219 WeakPolarHBondContact O-CB 3.47Å; D216-Y219 PolarHBondContact O-N 3.21Å; A217-Y219 PolarHBondContact O-N 3.41Å; Y219-A270 PolarHBondContact OH-O 2.77Å; Y219-N271 WeakPolarHBondContact CE1-O 3.43Å; Y219-N271 VanDerWaalsContact OH-C 3.27Å; Y219-N271 VanDerWaalsContact OH-CA 3.29Å; Y219-N271 WeakPolarHBondContact OH-CA 3.1Å; Y219-N271 PolarHBondContact OH-O 3.17Å; Y219-K274 WeakPolarHBondContact CE2-O 3.37Å; Y219-K274 PolarHBondContact OH-O 2.98Å; Y219-K276 HydrophobicContact CD2-CD 4.32Å; Y219-K276 HydrophobicContact CD2-CG 3.97Å; Y219-K276 HydrophobicContact CE1-CD 4.13Å; Y219-K276 HydrophobicContact CE2-CB 4.37Å; Y219-K276 HydrophobicContact CE2-CD 3.9Å; Y219-K276 HydrophobicContact CE2-CG 3.6Å; Y219-K276 WeakPolarHBondContact O-CE 3.27Å; Y219-K276 PolarHBondContact O-NZ 3.35Å |
| 220 | I | 66 | Low | 76.6 | Confident | 132 Ų | 132 | 53 Ų | 53 | 68% | 0.677 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -7.9 | -177.8 | -52.2 | 174.8 | 0 | 0 | 0 | 111.6 | T222 | I220-T222 PolarHBondContact O-N 3.36Š|
| 221 | S | 69.1 | Low | 76.1 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | trans | -51.9 | 124 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | N280 | S221-N280 PolarHBondContact O-ND2 3.21Š| ||
| 222 | T | 66.6 | Low | 75.4 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 64% | 0.638 | 31% | 0.313 | S | S | * | . | trans | -92.7 | -12.5 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | I220 | I220-T222 PolarHBondContact O-N 3.36Š| ||
| 223 | S | 76.5 | Confident | 74.6 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | trans | -70.5 | 131.8 | -178.3 | -41.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 224 | Y | 85.4 | Confident | 73.9 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | trans | -80.5 | 144 | 176 | -69.2 | -63.6 | 0 | 0 | 0 | 111.9 | N168 E170 M239 N280 Q282 | N168-Y224 HydrophobicContact CB-CE1 3.94Å; N168-Y224 PolarHBondContact ND2-OH 3.48Å; E170-Y224 HydrophobicContact CG-CE1 4.18Å; E170-Y224 PolarHBondContact OE1-OH 3.48Å; Y224-M239 WeakPolarHBondContact O-CB 3.38Å; Y224-M239 PolarHBondContact O-N 3.06Å; Y224-N280 CarbonylContact C-O 3.58Å; Y224-N280 VanDerWaalsContact CA-O 3.28Å; Y224-N280 WeakPolarHBondContact CA-O 3.3Å; Y224-Q282 HydrophobicContact CD1-CB 4.22Å; Y224-Q282 HydrophobicContact CD2-CB 4.42Å; Y224-Q282 HydrophobicContact CG-CB 3.93Å | ||
| 225 | K | 86.1 | Confident | 73.5 | Confident | 39 Ų | 39 | 58 Ų | 58 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -105.5 | 153 | 176.9 | -63.3 | 178.3 | 178.3 | -178.6 | 0 | 110.9 | E218 D237 I238 N280 Q281 Q282 | E218-K225 VanDerWaalsContact CD-NZ 3.29Å; E218-K225 IonicContact OE1-NZ 3.43Å; E218-K225 PolarHBondContact OE1-NZ 3.12Å; E218-K225 IonicContact OE2-NZ 2.82Å; K225-D237 CarbonylContact C-O 3.56Å; K225-D237 VanDerWaalsContact CA-O 3.26Å; K225-D237 WeakPolarHBondContact CA-O 3.11Å; K225-I238 HydrophobicContact CG-CG1 4.31Å; K225-N280 PolarHBondContact N-O 2.88Å; K225-Q281 HydrophobicContact CB-CG 4.38Å; K225-Q281 WeakPolarHBondContact O-CA 3.33Å; K225-Q282 PolarHBondContact O-N 3Å |
| 226 | W | 85.9 | Confident | 73.2 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | trans | -65.4 | 130.6 | 168.2 | -70.4 | 101.8 | 0 | 0 | 0 | 110.7 | P82 T109 D111 A228 D237 M239 | P82-W226 HydrophobicContact CB-CD2 3.77Å; P82-W226 HydrophobicContact CB-CE3 4.32Å; P82-W226 HydrophobicContact CB-CG 4.11Å; P82-W226 HydrophobicContact CB-CH2 4.43Å; P82-W226 HydrophobicContact CB-CZ2 3.88Å; P82-W226 HydrophobicContact CG-CB 4.29Å; P82-W226 HydrophobicContact CG-CD2 3.69Å; P82-W226 HydrophobicContact CG-CE3 4.14Å; P82-W226 HydrophobicContact CG-CG 3.71Å; T109-W226 PolarHBondContact OG1-NE1 3.36Å; D111-W226 HydrophobicContact CB-CH2 3.69Å; D111-W226 HydrophobicContact CB-CZ2 3.91Å; W226-A228 VanDerWaalsContact C-N 3.27Å; W226-A228 PolarHBondContact O-N 2.84Å; W226-D237 VanDerWaalsContact CD1-O 3.26Å; W226-D237 PolarHBondContact N-O 2.73Å; W226-M239 HydrophobicContact CD2-CE 3.61Å; W226-M239 HydrophobicContact CD2-CG 4.12Å; W226-M239 HydrophobicContact CE3-CE 3.49Å; W226-M239 VanDerWaalsContact CE3-CE 3.49Å; W226-M239 HydrophobicContact CG-CE 4.24Å; W226-M239 HydrophobicContact CG-CG 4.3Å; W226-M239 HydrophobicContact CH2-CE 4.03Å; W226-M239 HydrophobicContact CZ2-CE 4.14Å; W226-M239 HydrophobicContact CZ2-CG 4.11Å; W226-M239 HydrophobicContact CZ3-CE 3.72Å | ||
| 227 | P | 82.8 | Confident | 73.1 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 13% | 0.13 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -66.9 | -31.2 | 173.7 | -16.2 | 26.3 | 0 | 0 | 0 | 113 | Q281 Q282 H283 | P227-Q281 HydrophobicContact CG-CB 4.24Å; P227-Q282 VanDerWaalsContact CD-O 3.25Å; P227-Q282 WeakPolarHBondContact CD-O 3.39Å; P227-Q282 WeakPolarHBondContact CG-O 3.28Å; P227-H283 WeakPolarHBondContact CB-CE1 3.35Å; P227-H283 WeakPolarHBondContact CG-CE1 3.34Å; P227-H283 WeakPolarHBondContact CG-ND1 3.3Å |
| 228 | A | 75.4 | Confident | 73.6 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -124.4 | 84.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | W226 G230 | W226-A228 VanDerWaalsContact C-N 3.27Å; W226-A228 PolarHBondContact O-N 2.84Å; A228-G230 PolarHBondContact O-N 3.37Å; A228-G230 VanDerWaalsContact O-N 3.12Å |
| 229 | S | 68.4 | Low | 74.1 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | trans | -68.4 | -6.1 | -176.6 | -27 | 0 | 0 | 0 | 0 | 114.5 | S231 A232 D237 | S229-S231 PolarHBondContact O-N 3.49Å; S229-A232 WeakPolarHBondContact O-CB 3.34Å; S229-A232 PolarHBondContact O-N 2.98Å; S229-D237 VanDerWaalsContact CB-OD1 3.24Å; S229-D237 WeakPolarHBondContact CB-OD1 3.33Å; S229-D237 WeakPolarHBondContact CB-OD2 3.45Å; S229-D237 PolarHBondContact OG-OD2 3.33Å | ||
| 230 | G | 70.6 | Confident | 74.3 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -121 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A228 | A228-G230 PolarHBondContact O-N 3.37Å; A228-G230 VanDerWaalsContact O-N 3.12Å |
| 231 | S | 74.1 | Confident | 74.1 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.6 | 176 | -59.2 | 0 | 0 | 0 | 0 | 114.8 | E37 Q107 S229 | E37-S231 WeakPolarHBondContact OE2-CB 3.47Å; E37-S231 PolarHBondContact OE2-OG 3.36Å; Q107-S231 PolarHBondContact NE2-O 2.99Å; Q107-S231 VanDerWaalsContact NE2-O 3.08Å; S229-S231 PolarHBondContact O-N 3.49Å |
| 232 | A | 71.6 | Confident | 73.4 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -65.6 | 146.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V84 T109 S229 A236 D237 | V84-A232 HydrophobicContact CG1-CB 3.88Å; V84-A232 HydrophobicContact CG2-CB 4.14Å; T109-A232 HydrophobicContact CG2-CB 3.92Å; S229-A232 WeakPolarHBondContact O-CB 3.34Å; S229-A232 PolarHBondContact O-N 2.98Å; A232-A236 HydrophobicContact CB-CB 4.31Å; A232-D237 WeakPolarHBondContact CB-OD1 3.31Å; A232-D237 VanDerWaalsContact O-OD1 3.11Å | ||
| 233 | R | 71.7 | Confident | 72.6 | Confident | 155 Ų | 155 | 43.2 Ų | 43.2 | 59% | 0.585 | 25% | 0.25 | S | C | * | . | trans | -131.9 | 144.4 | -177.4 | -60.9 | -177.4 | -178.5 | 178 | 1.4 | 111.2 | F235 A236 D237 | R233-F235 PolarHBondContact O-N 3.48Å; R233-A236 VanDerWaalsContact O-CB 3.31Å; R233-A236 WeakPolarHBondContact O-CB 3.28Å; R233-A236 PolarHBondContact O-N 2.85Å; R233-D237 PolarHBondContact N-OD1 3.21Å; R233-D237 VanDerWaalsContact N-OD1 3.13Å | ||
| 234 | S | 67.7 | Low | 70.8 | Confident | 73 Ų | 73 | 46 Ų | 46 | 51% | 0.51 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | 57.9 | -132.6 | 170.4 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | A236 D237 | S234-A236 PolarHBondContact O-N 3.42Å; S234-A236 VanDerWaalsContact O-N 3.15Å; S234-D237 WeakPolarHBondContact O-CB 3.42Å; S234-D237 PolarHBondContact O-N 3.38Å; S234-D237 VanDerWaalsContact O-N 3.16Å |
| 235 | F | 69.5 | Low | 68.6 | Low | 99 Ų | 99 | 50.4 Ų | 50.4 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -60 | -19.1 | 178.6 | -63 | -74.1 | 0 | 0 | 0 | 114.4 | F129 R233 D237 I238 | F129-F235 HydrophobicContact CB-CB 4.21Å; F129-F235 HydrophobicContact CD1-CB 3.64Å; F129-F235 HydrophobicContact CE1-CB 4.13Å; F129-F235 HydrophobicContact CG-CB 3.91Å; R233-F235 PolarHBondContact O-N 3.48Å; F235-D237 PolarHBondContact O-N 3.32Å; F235-I238 HydrophobicContact CB-CD1 4.34Å; F235-I238 HydrophobicContact CD1-CD1 3.95Å; F235-I238 WeakPolarHBondContact O-CB 3.41Å; F235-I238 WeakPolarHBondContact O-CG1 3.45Å; F235-I238 PolarHBondContact O-N 3.03Å |
| 236 | A | 66.6 | Low | 66.4 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -67.6 | -17.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q107 T109 F129 A232 R233 S234 I238 | Q107-A236 HydrophobicContact CB-CB 3.49Å; Q107-A236 VanDerWaalsContact CB-CB 3.49Å; T109-A236 WeakPolarHBondContact CG2-O 3.25Å; T109-A236 PolarHBondContact OG1-O 3.04Å; T109-A236 VanDerWaalsContact OG1-O 3.12Å; F129-A236 HydrophobicContact CB-CB 4.49Å; A232-A236 HydrophobicContact CB-CB 4.31Å; R233-A236 VanDerWaalsContact O-CB 3.31Å; R233-A236 WeakPolarHBondContact O-CB 3.28Å; R233-A236 PolarHBondContact O-N 2.85Å; S234-A236 PolarHBondContact O-N 3.42Å; S234-A236 VanDerWaalsContact O-N 3.15Å; A236-I238 PolarHBondContact O-N 3.25Å |
| 237 | D | 74.7 | Confident | 63.9 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -75.1 | -7.4 | 177.4 | -64.6 | 5.7 | 0 | 0 | 0 | 112.6 | K225 W226 S229 A232 R233 S234 F235 | K225-D237 CarbonylContact C-O 3.56Å; K225-D237 VanDerWaalsContact CA-O 3.26Å; K225-D237 WeakPolarHBondContact CA-O 3.11Å; W226-D237 VanDerWaalsContact CD1-O 3.26Å; W226-D237 PolarHBondContact N-O 2.73Å; S229-D237 VanDerWaalsContact CB-OD1 3.24Å; S229-D237 WeakPolarHBondContact CB-OD1 3.33Å; S229-D237 WeakPolarHBondContact CB-OD2 3.45Å; S229-D237 PolarHBondContact OG-OD2 3.33Å; A232-D237 WeakPolarHBondContact CB-OD1 3.31Å; A232-D237 VanDerWaalsContact O-OD1 3.11Å; R233-D237 PolarHBondContact N-OD1 3.21Å; R233-D237 VanDerWaalsContact N-OD1 3.13Å; S234-D237 WeakPolarHBondContact O-CB 3.42Å; S234-D237 PolarHBondContact O-N 3.38Å; S234-D237 VanDerWaalsContact O-N 3.16Å; F235-D237 PolarHBondContact O-N 3.32Å |
| 238 | I | 78.1 | Confident | 61.9 | Low | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 131.6 | 179.9 | -63 | 171.7 | 0 | 0 | 0 | 109.9 | T109 K225 F235 A236 Q240 | T109-I238 PolarHBondContact OG1-O 3.2Å; K225-I238 HydrophobicContact CG-CG1 4.31Å; F235-I238 HydrophobicContact CB-CD1 4.34Å; F235-I238 HydrophobicContact CD1-CD1 3.95Å; F235-I238 WeakPolarHBondContact O-CB 3.41Å; F235-I238 WeakPolarHBondContact O-CG1 3.45Å; F235-I238 PolarHBondContact O-N 3.03Å; A236-I238 PolarHBondContact O-N 3.25Å; I238-Q240 PolarHBondContact O-N 3.39Å |
| 239 | M | 79.3 | Confident | 60 | Low | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | trans | -68.8 | 109.9 | 173.5 | -64.9 | -175.5 | 170.7 | 0 | 0 | 110.1 | Y224 W226 Q282 | Y224-M239 WeakPolarHBondContact O-CB 3.38Å; Y224-M239 PolarHBondContact O-N 3.06Å; W226-M239 HydrophobicContact CD2-CE 3.61Å; W226-M239 HydrophobicContact CD2-CG 4.12Å; W226-M239 HydrophobicContact CE3-CE 3.49Å; W226-M239 VanDerWaalsContact CE3-CE 3.49Å; W226-M239 HydrophobicContact CG-CE 4.24Å; W226-M239 HydrophobicContact CG-CG 4.3Å; W226-M239 HydrophobicContact CH2-CE 4.03Å; W226-M239 HydrophobicContact CZ2-CE 4.14Å; W226-M239 HydrophobicContact CZ2-CG 4.11Å; W226-M239 HydrophobicContact CZ3-CE 3.72Å; M239-Q282 HydrophobicContact CE-CB 3.85Å; M239-Q282 HydrophobicContact CE-CG 4.1Å; M239-Q282 WeakPolarHBondContact CE-O 3.4Å; M239-Q282 HydrophobicContact SD-CB 3.82Å; M239-Q282 HydrophobicContact SD-CG 4.07Å; M239-Q282 PolarHBondContact SD-OE1 3.49Å | ||
| 240 | Q | 74.5 | Confident | 58.6 | Low | 46 Ų | 46 | 65.7 Ų | 65.7 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -29.2 | 175.2 | -60.8 | -175.8 | 38.6 | 0 | 0 | 112.5 | L126 K127 F129 I238 | L126-Q240 HydrophobicContact CD2-CB 4.34Å; K127-Q240 PolarHBondContact O-NE2 3.47Å; K127-Q240 PolarHBondContact O-OE1 3.35Å; F129-Q240 HydrophobicContact CE2-CG 4.38Å; I238-Q240 PolarHBondContact O-N 3.39Å |
| 241 | T | 62.4 | Low | 57.2 | Low | 45 Ų | 45 | 70.1 Ų | 70.1 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 26.4 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | F110 D111 L126 L243 | F110-T241 HydrophobicContact CB-CG2 4.46Å; D111-T241 PolarHBondContact OD2-OG1 3.48Å; L126-T241 HydrophobicContact CD2-CG2 4.28Å; T241-L243 PolarHBondContact O-N 3.43Å |
| 242 | S | 54 | Low | 56.2 | Low | 41 Ų | 41 | 73.5 Ų | 73.5 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -53.4 | 146.8 | 167.2 | 55.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 243 | L | 49.3 | Very low | 55.8 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 37% | 0.366 | 41% | 0.414 | S | S | . | . | trans | -38.7 | 133.2 | 163.3 | -87.1 | 145.3 | 0 | 0 | 0 | 106.8 | Y166 T241 E245 | Y166-L243 HydrophobicContact CD1-CD1 4.49Å; Y166-L243 HydrophobicContact CE1-CD1 3.86Å; Y166-L243 HydrophobicContact CE2-CD1 4.4Å; T241-L243 PolarHBondContact O-N 3.43Å; L243-E245 PolarHBondContact O-N 2.93Å | ||
| 244 | P | 39.6 | Very low | 55.9 | Low | 111 Ų | 111 | 73.6 Ų | 73.6 | 72% | 0.721 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -43.3 | 126.6 | 169.2 | 21.1 | -31 | 0 | 0 | 0 | 103.4 | I246 | P244-I246 PolarHBondContact O-N 3.09Š|
| 245 | E | 39 | Very low | 56.5 | Low | 128 Ų | 128 | 72.4 Ų | 72.4 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | trans | -24.7 | 123.5 | -175 | -69 | 176.3 | 150.6 | 0 | 0 | 105 | L243 T247 | L243-E245 PolarHBondContact O-N 2.93Å; E245-T247 WeakPolarHBondContact O-CA 3.23Å; E245-T247 PolarHBondContact O-N 3Å; E245-T247 PolarHBondContact O-OG1 3Å; E245-T247 VanDerWaalsContact O-OG1 3.06Å | ||
| 246 | I | 38.9 | Very low | 57.2 | Low | 94 Ų | 94 | 69.1 Ų | 69.1 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | trans | -48.7 | 101.8 | 148.3 | -66.2 | 170 | 0 | 0 | 0 | 99.2 | P244 L248 | P244-I246 PolarHBondContact O-N 3.09Å; I246-L248 HydrophobicContact CB-CG 4.22Å; I246-L248 HydrophobicContact CG2-CD2 3.79Å; I246-L248 HydrophobicContact CG2-CG 3.77Å; I246-L248 WeakPolarHBondContact O-CG 3.27Å; I246-L248 PolarHBondContact O-N 3.2Å | ||
| 247 | T | 35 | Very low | 58.1 | Low | 89 Ų | 89 | 71.8 Ų | 71.8 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | trans | -72.3 | 87.1 | -175.8 | -54 | 0 | 0 | 0 | 0 | 94.6 | E245 T249 | E245-T247 WeakPolarHBondContact O-CA 3.23Å; E245-T247 PolarHBondContact O-N 3Å; E245-T247 PolarHBondContact O-OG1 3Å; E245-T247 VanDerWaalsContact O-OG1 3.06Å; T247-T249 HydrophobicContact CG2-CG2 4.13Å; T247-T249 WeakPolarHBondContact O-CB 3.3Å; T247-T249 WeakPolarHBondContact O-CG2 3.36Å; T247-T249 PolarHBondContact O-N 3.42Å; T247-T249 PolarHBondContact O-OG1 3.14Å | ||
| 248 | L | 39.2 | Very low | 58.5 | Low | 57 Ų | 57 | 73.4 Ų | 73.4 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | trans | -68.4 | 60 | 162.2 | -67.4 | 160 | 0 | 0 | 0 | 100.8 | I246 L250 | I246-L248 HydrophobicContact CB-CG 4.22Å; I246-L248 HydrophobicContact CG2-CD2 3.79Å; I246-L248 HydrophobicContact CG2-CG 3.77Å; I246-L248 WeakPolarHBondContact O-CG 3.27Å; I246-L248 PolarHBondContact O-N 3.2Å; L248-L250 PolarHBondContact O-N 2.91Å | ||
| 249 | T | 36.8 | Very low | 58.6 | Low | 61 Ų | 61 | 73 Ų | 73 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | -10.6 | 100.8 | 113.8 | 50.7 | 0 | 0 | 0 | 0 | 104.7 | T247 N251 K252 | T247-T249 HydrophobicContact CG2-CG2 4.13Å; T247-T249 WeakPolarHBondContact O-CB 3.3Å; T247-T249 WeakPolarHBondContact O-CG2 3.36Å; T247-T249 PolarHBondContact O-N 3.42Å; T247-T249 PolarHBondContact O-OG1 3.14Å; T249-N251 PolarHBondContact O-N 3.2Å; T249-K252 PolarHBondContact O-N 2.94Å | |||
| 250 | L | 38.5 | Very low | 58.1 | Low | 147 Ų | 147 | 75.1 Ų | 75.1 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 15.5 | 173.3 | -74.1 | 125.2 | 0 | 0 | 0 | 112 | L248 | L248-L250 PolarHBondContact O-N 2.91Š|
| 251 | N | 41.8 | Very low | 57.8 | Low | 146 Ų | 146 | 73.5 Ų | 73.5 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -2.6 | -165.3 | -57.4 | -4.4 | 0 | 0 | 0 | 112.1 | T249 | T249-N251 PolarHBondContact O-N 3.2Š|
| 252 | K | 52.4 | Low | 58 | Low | 122 Ų | 122 | 72.1 Ų | 72.1 | 53% | 0.53 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -98.7 | 132.9 | 169.3 | -69.9 | -166.1 | -177.9 | -177.5 | 0 | 111.1 | T249 E254 Y348 | T249-K252 PolarHBondContact O-N 2.94Å; K252-E254 PolarHBondContact O-N 3.15Å; K252-Y348 WeakPolarHBondContact CD-OH 3.45Å |
| 253 | K | 63.2 | Low | 59.1 | Low | 148 Ų | 148 | 73.4 Ų | 73.4 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 124.6 | 177.4 | -169.7 | 178.6 | 179.7 | -176 | 0 | 110.1 | ||
| 254 | E | 74 | Confident | 60.3 | Low | 18 Ų | 18 | 72 Ų | 72 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 147.4 | 169.1 | -73.8 | -166.9 | 165.8 | 0 | 0 | 110.8 | K252 P259 I260 R267 R350 | K252-E254 PolarHBondContact O-N 3.15Å; E254-P259 HydrophobicContact CB-CB 4.34Å; E254-I260 VanDerWaalsContact CD-CD1 3.43Å; E254-I260 HydrophobicContact CG-CD1 4.3Å; E254-I260 WeakPolarHBondContact OE1-CD1 3.27Å; E254-I260 WeakPolarHBondContact OE2-CG1 3.37Å; E254-I260 PolarHBondContact OE2-N 3.37Å; E254-R267 IonicContact OE2-CZ 3.44Å; E254-R267 VanDerWaalsContact OE2-CZ 3.28Å; E254-R267 IonicContact OE2-NH1 2.76Å; E254-R267 PolarHBondContact OE2-NH1 3.22Å; E254-R267 IonicContact OE2-NH2 2.73Å; E254-R267 PolarHBondContact OE2-NH2 3Å; E254-R350 CarbonylContact C-O 3.53Å; E254-R350 WeakPolarHBondContact CA-O 3.32Å; E254-R350 IonicContact OE1-CZ 3.28Å; E254-R350 IonicContact OE1-NH1 3.02Å; E254-R350 PolarHBondContact OE1-NH1 3.49Å; E254-R350 IonicContact OE1-NH2 2.72Å |
| 255 | D | 79.9 | Confident | 62 | Low | 48 Ų | 48 | 68.5 Ų | 68.5 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -175.1 | 166.7 | -56.2 | -70.2 | 0 | 0 | 0 | 111.8 | V349 R350 G351 | D255-V349 HydrophobicContact CB-CG1 4.08Å; D255-V349 VanDerWaalsContact OD2-CA 3.31Å; D255-V349 WeakPolarHBondContact OD2-CA 3.48Å; D255-R350 PolarHBondContact N-O 3.32Å; D255-R350 PolarHBondContact OD2-N 2.83Å; D255-G351 WeakPolarHBondContact O-CA 3.49Å |
| 256 | G | 84.8 | Confident | 63.8 | Low | 29 Ų | 29 | 66.6 Ų | 66.6 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.5 | -171.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | A352 | G256-A352 CarbonylContact C-O 3.44Å |
| 257 | D | 84.8 | Confident | 65.8 | Low | 58 Ų | 58 | 63.3 Ų | 63.3 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -79.8 | -21.8 | -173.9 | -61.8 | -48.5 | 0 | 0 | 0 | 112.3 | Y263 A352 Y353 K354 | D257-Y263 VanDerWaalsContact O-CE2 3.31Å; D257-Y263 WeakPolarHBondContact O-CE2 3.31Å; D257-A352 PolarHBondContact N-O 3.43Å; D257-Y353 WeakPolarHBondContact OD2-CA 3.33Å; D257-K354 HydrophobicContact CB-CB 4.27Å; D257-K354 WeakPolarHBondContact OD2-CB 3.38Å; D257-K354 PolarHBondContact OD2-N 2.95Å |
| 258 | F | 83.7 | Confident | 67.7 | Low | 55 Ų | 55 | 63.7 Ų | 63.7 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -130.1 | 53.9 | -174.4 | -50.4 | -78.9 | 0 | 0 | 0 | 114.3 | I260 Y263 L266 R267 A352 K354 | F258-I260 PolarHBondContact O-N 3.16Å; F258-Y263 VanDerWaalsContact C-CD2 3.47Å; F258-Y263 HydrophobicContact CB-CD2 3.98Å; F258-Y263 HydrophobicContact CB-CE2 4.43Å; F258-Y263 HydrophobicContact CB-CG 3.99Å; F258-Y263 AromaticContact CD1-CD1 3.82Å; F258-Y263 HydrophobicContact CD1-CD1 3.82Å; F258-Y263 HydrophobicContact CD1-CD2 4.4Å; F258-Y263 AromaticContact CD1-CE1 3.72Å; F258-Y263 HydrophobicContact CD1-CE1 3.72Å; F258-Y263 HydrophobicContact CD1-CE2 4.31Å; F258-Y263 HydrophobicContact CD1-CG 4.13Å; F258-Y263 AromaticContact CD1-CZ 3.95Å; F258-Y263 HydrophobicContact CE1-CE1 4.32Å; F258-L266 HydrophobicContact CD1-CD2 4.49Å; F258-R267 PolarHBondContact O-NE 2.97Å; F258-R267 PolarHBondContact O-NH2 3.22Å; F258-A352 HydrophobicContact CB-CB 4.2Å; F258-A352 HydrophobicContact CD2-CB 4.27Å; F258-A352 PolarHBondContact N-O 3.49Å; F258-A352 VanDerWaalsContact N-O 3.14Å; F258-K354 HydrophobicContact CE2-CB 3.76Å; F258-K354 HydrophobicContact CE2-CG 4.42Å; F258-K354 HydrophobicContact CZ-CB 3.97Å; F258-K354 HydrophobicContact CZ-CD 4.41Å; F258-K354 HydrophobicContact CZ-CG 4.23Å |
| 259 | P | 79.3 | Confident | 69.5 | Low | 14 Ų | 14 | 63.6 Ų | 63.6 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | trans | -51.9 | 138 | -178 | 23.4 | -35.3 | 0 | 0 | 0 | 112.1 | E254 G261 Q262 Y263 | E254-P259 HydrophobicContact CB-CB 4.34Å; P259-G261 PolarHBondContact O-N 3.43Å; P259-Q262 PolarHBondContact O-N 3.45Å; P259-Y263 HydrophobicContact CG-CD2 4.3Å; P259-Y263 HydrophobicContact CG-CE2 4.47Å; P259-Y263 PolarHBondContact O-N 3.38Å; P259-Y263 VanDerWaalsContact O-N 3.13Å | ||
| 260 | I | 68.4 | Low | 71.3 | Confident | 51 Ų | 51 | 61 Ų | 61 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -45.1 | -42.8 | -177.2 | -85.1 | 168.2 | 0 | 0 | 0 | 112.1 | E254 F258 Y263 S264 | E254-I260 VanDerWaalsContact CD-CD1 3.43Å; E254-I260 HydrophobicContact CG-CD1 4.3Å; E254-I260 WeakPolarHBondContact OE1-CD1 3.27Å; E254-I260 WeakPolarHBondContact OE2-CG1 3.37Å; E254-I260 PolarHBondContact OE2-N 3.37Å; F258-I260 PolarHBondContact O-N 3.16Å; I260-Y263 CarbonylContact O-C 3.54Å; I260-Y263 PolarHBondContact O-N 3.32Å; I260-S264 WeakPolarHBondContact O-CA 3.4Å; I260-S264 WeakPolarHBondContact O-CB 3.44Å; I260-S264 PolarHBondContact O-N 3.05Å |
| 261 | G | 69.6 | Low | 73 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.2 | -64.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | P259 Y263 D539 P540 | P259-G261 PolarHBondContact O-N 3.43Å; G261-Y263 VanDerWaalsContact C-N 3.34Å; G261-Y263 PolarHBondContact O-N 3.01Å; G261-D539 WeakPolarHBondContact CA-OD1 3.42Å; G261-P540 WeakPolarHBondContact O-CD 3.41Å |
| 262 | Q | 66.9 | Low | 74.5 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.9 | -30.7 | -177.6 | -73.2 | 153.2 | 61 | 0 | 0 | 113.5 | P259 L537 S538 | P259-Q262 PolarHBondContact O-N 3.45Å; Q262-L537 VanDerWaalsContact NE2-CB 3.34Å; Q262-L537 PolarHBondContact NE2-O 3.41Å; Q262-S538 WeakPolarHBondContact CG-O 3.42Å; Q262-S538 VanDerWaalsContact NE2-C 3.31Å; Q262-S538 PolarHBondContact NE2-O 3.05Å |
| 263 | Y | 75.6 | Confident | 75.6 | Confident | 68 Ų | 68 | 52 Ų | 52 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -105.4 | 18.5 | -173.8 | -64.5 | -86.8 | 0 | 0 | 0 | 112.2 | D257 F258 P259 I260 G261 A265 L266 R267 | D257-Y263 VanDerWaalsContact O-CE2 3.31Å; D257-Y263 WeakPolarHBondContact O-CE2 3.31Å; F258-Y263 VanDerWaalsContact C-CD2 3.47Å; F258-Y263 HydrophobicContact CB-CD2 3.98Å; F258-Y263 HydrophobicContact CB-CE2 4.43Å; F258-Y263 HydrophobicContact CB-CG 3.99Å; F258-Y263 AromaticContact CD1-CD1 3.82Å; F258-Y263 HydrophobicContact CD1-CD1 3.82Å; F258-Y263 HydrophobicContact CD1-CD2 4.4Å; F258-Y263 AromaticContact CD1-CE1 3.72Å; F258-Y263 HydrophobicContact CD1-CE1 3.72Å; F258-Y263 HydrophobicContact CD1-CE2 4.31Å; F258-Y263 HydrophobicContact CD1-CG 4.13Å; F258-Y263 AromaticContact CD1-CZ 3.95Å; F258-Y263 HydrophobicContact CE1-CE1 4.32Å; P259-Y263 HydrophobicContact CG-CD2 4.3Å; P259-Y263 HydrophobicContact CG-CE2 4.47Å; P259-Y263 PolarHBondContact O-N 3.38Å; P259-Y263 VanDerWaalsContact O-N 3.13Å; I260-Y263 CarbonylContact O-C 3.54Å; I260-Y263 PolarHBondContact O-N 3.32Å; G261-Y263 VanDerWaalsContact C-N 3.34Å; G261-Y263 PolarHBondContact O-N 3.01Å; Y263-A265 PolarHBondContact O-N 3.47Å; Y263-L266 HydrophobicContact CD1-CD2 3.74Å; Y263-L266 HydrophobicContact CE1-CD2 4.44Å; Y263-L266 PolarHBondContact O-N 3.18Å; Y263-L266 VanDerWaalsContact O-N 3.13Å; Y263-R267 WeakPolarHBondContact O-CB 3.43Å; Y263-R267 WeakPolarHBondContact O-CG 3.27Å; Y263-R267 PolarHBondContact O-N 2.94Å |
| 264 | S | 75.9 | Confident | 76.4 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.1 | -50.6 | -175.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | I260 L266 R267 N268 | I260-S264 WeakPolarHBondContact O-CA 3.4Å; I260-S264 WeakPolarHBondContact O-CB 3.44Å; I260-S264 PolarHBondContact O-N 3.05Å; S264-L266 PolarHBondContact O-N 3.38Å; S264-R267 PolarHBondContact O-N 3.17Å; S264-N268 WeakPolarHBondContact O-CB 3.22Å; S264-N268 PolarHBondContact O-N 3.12Å; S264-N268 PolarHBondContact O-ND2 3.33Å; S264-N268 PolarHBondContact O-OD1 3.11Å; S264-N268 PolarHBondContact OG-ND2 3.28Å |
| 265 | A | 74.5 | Confident | 77 | Confident | 38 Ų | 38 | 51 Ų | 51 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y263 N268 S269 | Y263-A265 PolarHBondContact O-N 3.47Å; A265-N268 PolarHBondContact O-N 2.9Å; A265-S269 WeakPolarHBondContact O-CB 3.26Å; A265-S269 PolarHBondContact O-N 3.13Å |
| 266 | L | 77 | Confident | 77.4 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.6 | -179.9 | 68.4 | 0 | 0 | 0 | 111.6 | F258 Y263 S264 A270 | F258-L266 HydrophobicContact CD1-CD2 4.49Å; Y263-L266 HydrophobicContact CD1-CD2 3.74Å; Y263-L266 HydrophobicContact CE1-CD2 4.44Å; Y263-L266 PolarHBondContact O-N 3.18Å; Y263-L266 VanDerWaalsContact O-N 3.13Å; S264-L266 PolarHBondContact O-N 3.38Å; L266-A270 VanDerWaalsContact O-CB 3.26Å; L266-A270 WeakPolarHBondContact O-CB 3.48Å; L266-A270 PolarHBondContact O-N 3.34Å |
| 267 | R | 79.7 | Confident | 77.6 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 178.5 | -74.8 | -161.2 | 178.4 | -152 | 22.7 | 111.6 | E254 F258 Y263 S264 A270 N271 | E254-R267 IonicContact OE2-CZ 3.44Å; E254-R267 VanDerWaalsContact OE2-CZ 3.28Å; E254-R267 IonicContact OE2-NH1 2.76Å; E254-R267 PolarHBondContact OE2-NH1 3.22Å; E254-R267 IonicContact OE2-NH2 2.73Å; E254-R267 PolarHBondContact OE2-NH2 3Å; F258-R267 PolarHBondContact O-NE 2.97Å; F258-R267 PolarHBondContact O-NH2 3.22Å; Y263-R267 WeakPolarHBondContact O-CB 3.43Å; Y263-R267 WeakPolarHBondContact O-CG 3.27Å; Y263-R267 PolarHBondContact O-N 2.94Å; S264-R267 PolarHBondContact O-N 3.17Å; R267-A270 PolarHBondContact O-N 3.42Å; R267-N271 WeakPolarHBondContact O-CB 3.34Å; R267-N271 PolarHBondContact O-N 3.4Å; R267-N271 PolarHBondContact O-ND2 3.4Å |
| 268 | N | 76.4 | Confident | 77.8 | Confident | 96 Ų | 96 | 46 Ų | 46 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.5 | -70.2 | -15 | 0 | 0 | 0 | 111 | S264 A265 N271 S272 | S264-N268 WeakPolarHBondContact O-CB 3.22Å; S264-N268 PolarHBondContact O-N 3.12Å; S264-N268 PolarHBondContact O-ND2 3.33Å; S264-N268 PolarHBondContact O-OD1 3.11Å; S264-N268 PolarHBondContact OG-ND2 3.28Å; A265-N268 PolarHBondContact O-N 2.9Å; N268-N271 CarbonylContact O-C 3.6Å; N268-N271 PolarHBondContact O-N 3.07Å; N268-S272 WeakPolarHBondContact O-CB 3.47Å; N268-S272 PolarHBondContact O-N 3.39Å; N268-S272 PolarHBondContact O-OG 2.96Å |
| 269 | S | 76.2 | Confident | 78.1 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | A265 N271 S272 V273 | A265-S269 WeakPolarHBondContact O-CB 3.26Å; A265-S269 PolarHBondContact O-N 3.13Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 3.25Å; S269-S272 PolarHBondContact O-N 3.37Å; S269-S272 PolarHBondContact O-OG 3.25Å; S269-V273 PolarHBondContact O-N 3.21Å |
| 270 | A | 74.1 | Confident | 78.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q173 Y219 L266 R267 | Q173-A270 HydrophobicContact CB-CB 4.29Å; Y219-A270 PolarHBondContact OH-O 2.77Å; L266-A270 VanDerWaalsContact O-CB 3.26Å; L266-A270 WeakPolarHBondContact O-CB 3.48Å; L266-A270 PolarHBondContact O-N 3.34Å; R267-A270 PolarHBondContact O-N 3.42Å |
| 271 | N | 75.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 42 Ų | 42 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.1 | 176.7 | -81 | -33.4 | 0 | 0 | 0 | 114.7 | Q173 Y219 R267 N268 S269 K276 | Q173-N271 PolarHBondContact NE2-OD1 3.47Å; Y219-N271 WeakPolarHBondContact CE1-O 3.43Å; Y219-N271 VanDerWaalsContact OH-C 3.27Å; Y219-N271 VanDerWaalsContact OH-CA 3.29Å; Y219-N271 WeakPolarHBondContact OH-CA 3.1Å; Y219-N271 PolarHBondContact OH-O 3.17Å; R267-N271 WeakPolarHBondContact O-CB 3.34Å; R267-N271 PolarHBondContact O-N 3.4Å; R267-N271 PolarHBondContact O-ND2 3.4Å; N268-N271 CarbonylContact O-C 3.6Å; N268-N271 PolarHBondContact O-N 3.07Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 3.25Å; N271-K276 PolarHBondContact OD1-NZ 3.05Å |
| 272 | S | 73.6 | Confident | 80.5 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -32.3 | 179.3 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | P214 N268 S269 | P214-S272 WeakPolarHBondContact CB-O 3.5Å; P214-S272 WeakPolarHBondContact CG-O 3.32Å; N268-S272 WeakPolarHBondContact O-CB 3.47Å; N268-S272 PolarHBondContact O-N 3.39Å; N268-S272 PolarHBondContact O-OG 2.96Å; S269-S272 PolarHBondContact O-N 3.37Å; S269-S272 PolarHBondContact O-OG 3.25Å |
| 273 | V | 74.8 | Confident | 81.6 | Confident | 102 Ų | 102 | 41.6 Ų | 41.6 | 62% | 0.618 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -38.8 | -169.4 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | S269 | S269-V273 PolarHBondContact O-N 3.21Š|
| 274 | K | 80.7 | Confident | 82.3 | Confident | 95 Ų | 95 | 38.4 Ų | 38.4 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -99 | 147.3 | -167.7 | -62 | -167.7 | -178.1 | -169 | 0 | 112.5 | N174 Y219 | N174-K274 VanDerWaalsContact OD1-CD 3.23Å; N174-K274 WeakPolarHBondContact OD1-CD 3.46Å; N174-K274 WeakPolarHBondContact OD1-CE 3.27Å; N174-K274 PolarHBondContact OD1-NZ 3.36Å; Y219-K274 WeakPolarHBondContact CE2-O 3.37Å; Y219-K274 PolarHBondContact OH-O 2.98Å |
| 275 | N | 85 | Confident | 82.9 | Confident | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | trans | -63 | 148.4 | 168.9 | -62.9 | -19.5 | 0 | 0 | 0 | 110 | L211 K212 S213 | L211-N275 HydrophobicContact CD1-CB 3.71Å; L211-N275 HydrophobicContact CD2-CB 4.16Å; L211-N275 HydrophobicContact CG-CB 3.88Å; K212-N275 VanDerWaalsContact O-CA 3.23Å; K212-N275 WeakPolarHBondContact O-CA 3.49Å; K212-N275 WeakPolarHBondContact O-CB 3.26Å; S213-N275 VanDerWaalsContact CA-OD1 3.25Å; S213-N275 WeakPolarHBondContact CA-OD1 3.43Å; S213-N275 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 276 | K | 88.4 | Confident | 83.5 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.8 | 176.5 | 70.7 | -176.5 | 175.7 | -178.2 | 0 | 110.9 | I172 Q173 K212 Y219 N271 V278 | I172-K276 WeakPolarHBondContact O-CA 3.48Å; I172-K276 VanDerWaalsContact O-CB 3.27Å; I172-K276 WeakPolarHBondContact O-CB 3.25Å; Q173-K276 HydrophobicContact CG-CB 4.43Å; Q173-K276 HydrophobicContact CG-CD 4.29Å; K212-K276 PolarHBondContact N-O 3.4Å; K212-K276 PolarHBondContact O-N 2.99Å; Y219-K276 HydrophobicContact CD2-CD 4.32Å; Y219-K276 HydrophobicContact CD2-CG 3.97Å; Y219-K276 HydrophobicContact CE1-CD 4.13Å; Y219-K276 HydrophobicContact CE2-CB 4.37Å; Y219-K276 HydrophobicContact CE2-CD 3.9Å; Y219-K276 HydrophobicContact CE2-CG 3.6Å; Y219-K276 WeakPolarHBondContact O-CE 3.27Å; Y219-K276 PolarHBondContact O-NZ 3.35Å; N271-K276 PolarHBondContact OD1-NZ 3.05Å; K276-V278 HydrophobicContact CD-CG2 4.19Å; K276-V278 HydrophobicContact CG-CG2 3.69Å |
| 277 | V | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.4 | 171.9 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | S171 I172 V175 F179 F187 Y210 L211 W279 | S171-V277 CarbonylContact C-O 3.57Å; S171-V277 WeakPolarHBondContact CA-O 3.43Å; S171-V277 WeakPolarHBondContact CB-O 3.47Å; I172-V277 HydrophobicContact CB-CB 4.27Å; I172-V277 PolarHBondContact N-O 2.94Å; I172-V277 PolarHBondContact O-N 3.38Å; V175-V277 HydrophobicContact CG1-CG2 4.11Å; F179-V277 HydrophobicContact CD2-CG2 4.41Å; F187-V277 HydrophobicContact CB-CG1 3.58Å; F187-V277 HydrophobicContact CD1-CG2 4.23Å; F187-V277 HydrophobicContact CD2-CB 4.41Å; F187-V277 HydrophobicContact CD2-CG1 3.88Å; F187-V277 HydrophobicContact CD2-CG2 3.55Å; F187-V277 HydrophobicContact CE1-CG2 4.38Å; F187-V277 HydrophobicContact CE2-CG2 3.72Å; F187-V277 HydrophobicContact CG-CB 4.48Å; F187-V277 HydrophobicContact CG-CG1 3.81Å; F187-V277 HydrophobicContact CG-CG2 3.83Å; F187-V277 HydrophobicContact CZ-CG2 4.14Å; Y210-V277 WeakPolarHBondContact O-CA 3.45Å; L211-V277 HydrophobicContact CD1-CG2 4.14Å; V277-W279 HydrophobicContact CB-CH2 4.22Å; V277-W279 HydrophobicContact CB-CZ3 4.15Å; V277-W279 HydrophobicContact CG1-CD2 4.39Å; V277-W279 HydrophobicContact CG1-CE3 4.09Å; V277-W279 HydrophobicContact CG1-CH2 3.42Å; V277-W279 VanDerWaalsContact CG1-CH2 3.42Å; V277-W279 HydrophobicContact CG1-CZ2 3.77Å; V277-W279 HydrophobicContact CG1-CZ3 3.58Å |
| 278 | V | 88.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.1 | -177.1 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | Y210 K212 K276 N280 | Y210-V278 PolarHBondContact O-N 3.04Å; Y210-V278 VanDerWaalsContact O-N 3.09Å; K212-V278 HydrophobicContact CB-CG2 4.1Å; K212-V278 HydrophobicContact CG-CB 4.09Å; K212-V278 HydrophobicContact CG-CG2 3.89Å; K276-V278 HydrophobicContact CD-CG2 4.19Å; K276-V278 HydrophobicContact CG-CG2 3.69Å; V278-N280 HydrophobicContact CG1-CB 4.33Å; V278-N280 WeakPolarHBondContact CG1-ND2 3.31Å |
| 279 | W | 90.1 | Very high | 84.7 | Confident | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -50.4 | 164.3 | -66.9 | -91.6 | 0 | 0 | 0 | 110.5 | I169 E170 I172 F187 A189 S206 G209 V277 Q281 V309 | I169-W279 HydrophobicContact CG2-CD2 4.17Å; I169-W279 HydrophobicContact CG2-CE3 3.92Å; I169-W279 HydrophobicContact CG2-CG 4.49Å; I169-W279 HydrophobicContact CG2-CZ3 4.49Å; E170-W279 PolarHBondContact O-N 3.26Å; I172-W279 HydrophobicContact CB-CZ3 4.4Å; I172-W279 HydrophobicContact CD1-CH2 3.53Å; I172-W279 HydrophobicContact CD1-CZ3 3.92Å; I172-W279 HydrophobicContact CG1-CH2 3.92Å; I172-W279 HydrophobicContact CG1-CZ3 3.74Å; F187-W279 HydrophobicContact CB-CH2 4.19Å; F187-W279 HydrophobicContact CB-CZ2 3.69Å; F187-W279 PolarHBondContact O-NE1 3.48Å; F187-W279 VanDerWaalsContact O-NE1 3.15Å; A189-W279 HydrophobicContact CB-CH2 4.32Å; A189-W279 HydrophobicContact CB-CZ2 3.96Å; S206-W279 PolarHBondContact O-NE1 2.97Å; S206-W279 VanDerWaalsContact O-NE1 3.16Å; G209-W279 VanDerWaalsContact CA-NE1 3.32Å; V277-W279 HydrophobicContact CB-CH2 4.22Å; V277-W279 HydrophobicContact CB-CZ3 4.15Å; V277-W279 HydrophobicContact CG1-CD2 4.39Å; V277-W279 HydrophobicContact CG1-CE3 4.09Å; V277-W279 HydrophobicContact CG1-CH2 3.42Å; V277-W279 VanDerWaalsContact CG1-CH2 3.42Å; V277-W279 HydrophobicContact CG1-CZ2 3.77Å; V277-W279 HydrophobicContact CG1-CZ3 3.58Å; W279-Q281 HydrophobicContact CB-CB 4.36Å; W279-Q281 HydrophobicContact CB-CG 4.22Å; W279-Q281 PolarHBondContact O-N 2.85Å; W279-V309 HydrophobicContact CH2-CG1 4.38Å |
| 280 | N | 88.3 | Confident | 85.1 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.9 | 51.2 | -168.3 | -70.4 | -18.2 | 0 | 0 | 0 | 111.5 | I169 E170 S221 Y224 K225 V278 | I169-N280 PolarHBondContact O-N 3.34Å; E170-N280 PolarHBondContact O-N 3.12Å; E170-N280 PolarHBondContact O-OD1 3.47Å; S221-N280 PolarHBondContact O-ND2 3.21Å; Y224-N280 CarbonylContact C-O 3.58Å; Y224-N280 VanDerWaalsContact CA-O 3.28Å; Y224-N280 WeakPolarHBondContact CA-O 3.3Å; K225-N280 PolarHBondContact N-O 2.88Å; V278-N280 HydrophobicContact CG1-CB 4.33Å; V278-N280 WeakPolarHBondContact CG1-ND2 3.31Å |
| 281 | Q | 89.4 | Confident | 85.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.1 | -178.3 | -77.3 | 173.1 | 2 | 0 | 0 | 110.7 | N168 I169 S206 N207 K225 P227 W279 | N168-Q281 WeakPolarHBondContact CA-O 3.44Å; I169-Q281 PolarHBondContact N-O 3.08Å; I169-Q281 PolarHBondContact O-N 3.44Å; S206-Q281 PolarHBondContact OG-OE1 3.01Å; N207-Q281 PolarHBondContact O-NE2 3.32Å; K225-Q281 HydrophobicContact CB-CG 4.38Å; K225-Q281 WeakPolarHBondContact O-CA 3.33Å; P227-Q281 HydrophobicContact CG-CB 4.24Å; W279-Q281 HydrophobicContact CB-CB 4.36Å; W279-Q281 HydrophobicContact CB-CG 4.22Å; W279-Q281 PolarHBondContact O-N 2.85Å |
| 282 | Q | 89.2 | Confident | 86.3 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.9 | 172.7 | 166.4 | 167.9 | 99.3 | 0 | 0 | 109.7 | Y166 N168 Y224 K225 P227 M239 R284 | Y166-Q282 HydrophobicContact CD1-CG 4.47Å; N168-Q282 VanDerWaalsContact OD1-CB 3.31Å; N168-Q282 WeakPolarHBondContact OD1-CB 3.23Å; N168-Q282 WeakPolarHBondContact OD1-CG 3.41Å; N168-Q282 PolarHBondContact OD1-NE2 2.93Å; N168-Q282 VanDerWaalsContact OD1-NE2 3.08Å; Y224-Q282 HydrophobicContact CD1-CB 4.22Å; Y224-Q282 HydrophobicContact CD2-CB 4.42Å; Y224-Q282 HydrophobicContact CG-CB 3.93Å; K225-Q282 PolarHBondContact O-N 3Å; P227-Q282 VanDerWaalsContact CD-O 3.25Å; P227-Q282 WeakPolarHBondContact CD-O 3.39Å; P227-Q282 WeakPolarHBondContact CG-O 3.28Å; M239-Q282 HydrophobicContact CE-CB 3.85Å; M239-Q282 HydrophobicContact CE-CG 4.1Å; M239-Q282 WeakPolarHBondContact CE-O 3.4Å; M239-Q282 HydrophobicContact SD-CB 3.82Å; M239-Q282 HydrophobicContact SD-CG 4.07Å; M239-Q282 PolarHBondContact SD-OE1 3.49Å; Q282-R284 HydrophobicContact CG-CG 4.18Å |
| 283 | H | 90.5 | Very high | 87 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138 | 170.6 | -63.2 | -99 | 0 | 0 | 0 | 109.4 | Y166 V167 I204 I205 S206 P227 | Y166-H283 CarbonylContact C-O 3.48Å; Y166-H283 WeakPolarHBondContact CA-O 3.41Å; V167-H283 HydrophobicContact CB-CB 4.17Å; V167-H283 PolarHBondContact N-O 3.02Å; V167-H283 WeakPolarHBondContact O-CB 3.49Å; V167-H283 PolarHBondContact O-CD2 3.39Å; V167-H283 PolarHBondContact O-N 3.27Å; I204-H283 HydrophobicContact CG2-CB 4.05Å; I204-H283 VanDerWaalsContact CG2-CG 3.47Å; I204-H283 WeakPolarHBondContact CG2-ND1 3.39Å; I205-H283 PolarHBondContact O-CE1 3.26Å; I205-H283 VanDerWaalsContact O-CE1 3.23Å; S206-H283 PolarHBondContact OG-NE2 3.1Å; P227-H283 WeakPolarHBondContact CB-CE1 3.35Å; P227-H283 WeakPolarHBondContact CG-CE1 3.34Å; P227-H283 WeakPolarHBondContact CG-ND1 3.3Å |
| 284 | R | 90 | Very high | 87.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.8 | 172.6 | -55 | 179.8 | -173.2 | 166.3 | 2.1 | 108 | C79 S80 D111 I164 Y166 Q282 | C79-R284 WeakPolarHBondContact O-CB 3.47Å; C79-R284 WeakPolarHBondContact O-CD 3.23Å; S80-R284 VanDerWaalsContact CB-O 3.31Å; S80-R284 WeakPolarHBondContact CB-O 3.27Å; D111-R284 VanDerWaalsContact CG-NH1 3.26Å; D111-R284 IonicContact OD1-NH1 2.69Å; D111-R284 IonicContact OD2-CZ 2.66Å; D111-R284 IonicContact OD2-NH1 3.32Å; D111-R284 PolarHBondContact OD2-NH1 3.36Å; D111-R284 IonicContact OD2-NH2 3.38Å; I164-R284 HydrophobicContact CG2-CB 4.45Å; Y166-R284 HydrophobicContact CD1-CG 3.75Å; Y166-R284 HydrophobicContact CE1-CG 3.8Å; Q282-R284 HydrophobicContact CG-CG 4.18Å |
| 285 | R | 89.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 28.7 Ų | 28.7 | 19% | 0.192 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.6 | 175.9 | -71.1 | -62.8 | -164.4 | -82.1 | -3.9 | 110.3 | D76 I164 I165 L193 T195 I204 | D76-R285 WeakPolarHBondContact OD1-CA 3.31Å; I164-R285 WeakPolarHBondContact CA-O 3.21Å; I165-R285 HydrophobicContact CG2-CB 3.83Å; I165-R285 PolarHBondContact N-O 3.24Å; I165-R285 PolarHBondContact O-N 3.13Å; L193-R285 HydrophobicContact CD2-CB 4.13Å; L193-R285 HydrophobicContact CD2-CG 4.12Å; T195-R285 HydrophobicContact CG2-CB 4Å; T195-R285 HydrophobicContact CG2-CG 3.97Å; I204-R285 HydrophobicContact CD1-CG 4.2Å |
| 286 | L | 87.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 138.1 | 174 | -161.9 | 66.7 | 0 | 0 | 0 | 110 | F72 V75 D76 V116 L162 I164 | F72-L286 HydrophobicContact CD2-CD2 4.11Å; F72-L286 HydrophobicContact CE1-CB 4.01Å; F72-L286 HydrophobicContact CE1-CD2 4.06Å; F72-L286 HydrophobicContact CE1-CG 4.14Å; F72-L286 HydrophobicContact CE2-CD2 3.35Å; F72-L286 HydrophobicContact CE2-CG 3.92Å; F72-L286 HydrophobicContact CZ-CB 3.81Å; F72-L286 HydrophobicContact CZ-CD2 3.35Å; F72-L286 HydrophobicContact CZ-CG 3.43Å; F72-L286 VanDerWaalsContact CZ-CG 3.43Å; V75-L286 HydrophobicContact CB-CD2 4.43Å; V75-L286 HydrophobicContact CG1-CD2 3.94Å; D76-L286 HydrophobicContact CB-CB 4.31Å; D76-L286 PolarHBondContact OD1-N 3.44Å; V116-L286 HydrophobicContact CG1-CD1 4.1Å; L162-L286 HydrophobicContact CB-CD1 4.22Å; L162-L286 HydrophobicContact CD1-CD1 4.26Å; L162-L286 HydrophobicContact CD1-CD2 4.13Å; L162-L286 HydrophobicContact CD1-CG 4.5Å; L162-L286 HydrophobicContact CD2-CD2 4.34Å; L162-L286 HydrophobicContact CD2-CG 4.29Å; I164-L286 HydrophobicContact CD1-CD1 4.43Å; I164-L286 HydrophobicContact CG1-CD1 3.74Å |
| 287 | L | 88.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.6 | 176.7 | -61.7 | 179.7 | 0 | 0 | 0 | 109.6 | N163 I165 I194 Q292 L295 | N163-L287 PolarHBondContact N-O 3.35Å; N163-L287 PolarHBondContact O-N 3.5Å; I165-L287 HydrophobicContact CB-CD1 3.78Å; I165-L287 HydrophobicContact CB-CG 4.25Å; I165-L287 HydrophobicContact CD1-CD1 4.37Å; I165-L287 HydrophobicContact CG2-CD1 3.81Å; I165-L287 HydrophobicContact CG2-CD2 4.11Å; I165-L287 HydrophobicContact CG2-CG 3.83Å; I194-L287 WeakPolarHBondContact O-CD2 3.42Å; L287-Q292 HydrophobicContact CB-CG 3.69Å; L287-Q292 HydrophobicContact CD1-CG 4.33Å; L287-Q292 PolarHBondContact O-NE2 3.44Å; L287-L295 HydrophobicContact CD1-CD2 3.89Å |
| 288 | D | 85.2 | Confident | 87.8 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | trans | -73.8 | 161.8 | 167.5 | 75.2 | -45.2 | 0 | 0 | 0 | 111.1 | F72 L162 S290 S291 Q292 | F72-D288 HydrophobicContact CE2-CB 4.26Å; F72-D288 HydrophobicContact CZ-CB 4.04Å; L162-D288 HydrophobicContact CD2-CB 4.33Å; D288-S290 PolarHBondContact O-N 3.38Å; D288-S290 VanDerWaalsContact O-N 3.09Å; D288-S290 VanDerWaalsContact OD2-CB 3.32Å; D288-S290 WeakPolarHBondContact OD2-CB 3.47Å; D288-S290 PolarHBondContact OD2-N 3.45Å; D288-S290 PolarHBondContact OD2-OG 2.92Å; D288-S291 PolarHBondContact O-N 3.46Å; D288-S291 WeakPolarHBondContact OD1-CB 3.48Å; D288-S291 PolarHBondContact OD1-N 3.27Å; D288-S291 PolarHBondContact OD1-OG 3.42Å; D288-Q292 WeakPolarHBondContact O-CG 3.39Å; D288-Q292 PolarHBondContact O-N 3.5Å | ||
| 289 | K | 84.7 | Confident | 87.8 | Confident | 117 Ų | 117 | 39.2 Ų | 39.2 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.1 | -35.6 | 179.6 | -171.3 | 171.3 | -175.1 | 171.7 | 0 | 113.1 | Q161 L293 | Q161-K289 HydrophobicContact CB-CB 4.18Å; Q161-K289 HydrophobicContact CG-CD 4.24Å; Q161-K289 PolarHBondContact O-N 3.45Å; Q161-K289 VanDerWaalsContact O-N 3.12Å; K289-L293 WeakPolarHBondContact O-CG 3.29Å; K289-L293 PolarHBondContact O-N 2.88Å; K289-L293 VanDerWaalsContact O-N 3.13Å |
| 290 | S | 84.9 | Confident | 87.6 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.2 | -42.9 | 178.1 | 84.5 | 0 | 0 | 0 | 0 | 112.4 | S197 D288 L293 K294 | S197-S290 WeakPolarHBondContact CB-OG 3.4Å; D288-S290 PolarHBondContact O-N 3.38Å; D288-S290 VanDerWaalsContact O-N 3.09Å; D288-S290 VanDerWaalsContact OD2-CB 3.32Å; D288-S290 WeakPolarHBondContact OD2-CB 3.47Å; D288-S290 PolarHBondContact OD2-N 3.45Å; D288-S290 PolarHBondContact OD2-OG 2.92Å; S290-L293 PolarHBondContact O-N 3.15Å; S290-K294 WeakPolarHBondContact O-CG 3.25Å; S290-K294 PolarHBondContact O-N 3.35Å; S290-K294 VanDerWaalsContact O-N 3.11Å |
| 291 | S | 85.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -35.4 | 175 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | S196 D288 K294 L295 | S196-S291 VanDerWaalsContact C-OG 3.29Å; S196-S291 PolarHBondContact N-OG 2.88Å; S196-S291 PolarHBondContact O-OG 2.97Å; D288-S291 PolarHBondContact O-N 3.46Å; D288-S291 WeakPolarHBondContact OD1-CB 3.48Å; D288-S291 PolarHBondContact OD1-N 3.27Å; D288-S291 PolarHBondContact OD1-OG 3.42Å; S291-K294 PolarHBondContact O-N 2.86Å; S291-L295 VanDerWaalsContact O-CB 3.23Å; S291-L295 WeakPolarHBondContact O-CB 3.4Å; S291-L295 PolarHBondContact O-N 2.83Å |
| 292 | Q | 87.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.7 | -69.1 | 176.2 | 48.6 | 0 | 0 | 111.7 | Q161 N163 L287 D288 L295 K296 | Q161-Q292 PolarHBondContact O-NE2 3.38Å; N163-Q292 HydrophobicContact CB-CG 4.28Å; L287-Q292 HydrophobicContact CB-CG 3.69Å; L287-Q292 HydrophobicContact CD1-CG 4.33Å; L287-Q292 PolarHBondContact O-NE2 3.44Å; D288-Q292 WeakPolarHBondContact O-CG 3.39Å; D288-Q292 PolarHBondContact O-N 3.5Å; Q292-L295 PolarHBondContact O-N 2.97Å; Q292-K296 WeakPolarHBondContact O-CG 3.01Å; Q292-K296 PolarHBondContact O-N 2.89Å |
| 293 | L | 88.9 | Confident | 86.6 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 177.2 | -72.1 | 170.6 | 0 | 0 | 0 | 111.4 | K289 S290 L295 K296 E297 | K289-L293 WeakPolarHBondContact O-CG 3.29Å; K289-L293 PolarHBondContact O-N 2.88Å; K289-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact O-N 3.15Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L293-L295 PolarHBondContact O-N 2.84Å; L293-K296 WeakPolarHBondContact O-CB 3.22Å; L293-K296 PolarHBondContact O-N 2.85Å; L293-E297 WeakPolarHBondContact O-CG 3.13Å; L293-E297 PolarHBondContact O-N 3.05Å |
| 294 | K | 86.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177 | -72.3 | 177.5 | 174.9 | -164.9 | 0 | 113 | S197 S290 S291 E297 K298 | S197-K294 PolarHBondContact O-NZ 2.87Å; S290-K294 WeakPolarHBondContact O-CG 3.25Å; S290-K294 PolarHBondContact O-N 3.35Å; S290-K294 VanDerWaalsContact O-N 3.11Å; S291-K294 PolarHBondContact O-N 2.86Å; K294-E297 PolarHBondContact O-N 2.91Å; K294-K298 VanDerWaalsContact O-CB 3.3Å; K294-K298 WeakPolarHBondContact O-CB 3.35Å; K294-K298 PolarHBondContact O-N 2.67Å |
| 295 | L | 88.5 | Confident | 86.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.5 | -178.8 | 61.4 | 0 | 0 | 0 | 110.1 | I165 L193 L287 S291 Q292 L293 K298 I299 | I165-L295 HydrophobicContact CD1-CD2 4.03Å; L193-L295 HydrophobicContact CD1-CD1 4.3Å; L287-L295 HydrophobicContact CD1-CD2 3.89Å; S291-L295 VanDerWaalsContact O-CB 3.23Å; S291-L295 WeakPolarHBondContact O-CB 3.4Å; S291-L295 PolarHBondContact O-N 2.83Å; Q292-L295 PolarHBondContact O-N 2.97Å; L293-L295 VanDerWaalsContact C-N 3.34Å; L293-L295 PolarHBondContact O-N 2.84Å; L295-K298 PolarHBondContact O-N 3.44Å; L295-I299 HydrophobicContact CD1-CD1 4.13Å; L295-I299 HydrophobicContact CD1-CG1 4.33Å; L295-I299 HydrophobicContact CG-CD1 3.91Å; L295-I299 VanDerWaalsContact O-CG1 3.23Å; L295-I299 WeakPolarHBondContact O-CG1 3.37Å; L295-I299 PolarHBondContact O-N 2.97Å |
| 296 | K | 88.5 | Confident | 86.9 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 175.5 | -73.1 | 179.7 | 178.7 | -171.8 | 0 | 112.6 | Q292 L293 K298 I299 S300 L342 | Q292-K296 WeakPolarHBondContact O-CG 3.01Å; Q292-K296 PolarHBondContact O-N 2.89Å; L293-K296 WeakPolarHBondContact O-CB 3.22Å; L293-K296 PolarHBondContact O-N 2.85Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.44Å; K296-I299 PolarHBondContact O-N 2.86Å; K296-S300 WeakPolarHBondContact O-CB 3.41Å; K296-S300 PolarHBondContact O-N 3.45Å; K296-S300 PolarHBondContact O-OG 2.87Å; K296-L342 HydrophobicContact CB-CD2 4.06Å; K296-L342 HydrophobicContact CG-CD2 4.07Å |
| 297 | E | 87.5 | Confident | 87.3 | Confident | 132 Ų | 132 | 58.4 Ų | 58.4 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.2 | -43.9 | 175.3 | -74.8 | 172.7 | -179.8 | 0 | 0 | 111.2 | L293 K294 S300 A301 | L293-E297 WeakPolarHBondContact O-CG 3.13Å; L293-E297 PolarHBondContact O-N 3.05Å; K294-E297 PolarHBondContact O-N 2.91Å; E297-S300 WeakPolarHBondContact O-CB 3.4Å; E297-S300 PolarHBondContact O-N 3.47Å; E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.17Å |
| 298 | K | 85.4 | Confident | 87.6 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 19% | 0.191 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -41.9 | -179.2 | -172 | 172.8 | 173 | -174 | 0 | 113.1 | I194 E201 K294 L295 K296 S300 A301 Y302 | I194-K298 HydrophobicContact CD1-CD 3.68Å; E201-K298 IonicContact OE1-NZ 3.18Å; E201-K298 PolarHBondContact OE1-NZ 2.94Å; E201-K298 IonicContact OE2-NZ 2.69Å; E201-K298 PolarHBondContact OE2-NZ 3.3Å; K294-K298 VanDerWaalsContact O-CB 3.3Å; K294-K298 WeakPolarHBondContact O-CB 3.35Å; K294-K298 PolarHBondContact O-N 2.67Å; L295-K298 PolarHBondContact O-N 3.44Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.44Å; K298-S300 VanDerWaalsContact C-N 3.27Å; K298-S300 PolarHBondContact O-N 2.9Å; K298-A301 PolarHBondContact O-N 3.09Å; K298-Y302 HydrophobicContact CG-CD2 3.79Å; K298-Y302 HydrophobicContact CG-CE2 4.09Å; K298-Y302 PolarHBondContact O-N 2.73Å |
| 299 | I | 87.9 | Confident | 88.1 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 172.9 | -66.6 | 167.2 | 0 | 0 | 0 | 109.2 | L295 K296 A301 R303 L338 L341 L342 | L295-I299 HydrophobicContact CD1-CD1 4.13Å; L295-I299 HydrophobicContact CD1-CG1 4.33Å; L295-I299 HydrophobicContact CG-CD1 3.91Å; L295-I299 VanDerWaalsContact O-CG1 3.23Å; L295-I299 WeakPolarHBondContact O-CG1 3.37Å; L295-I299 PolarHBondContact O-N 2.97Å; K296-I299 PolarHBondContact O-N 2.86Å; I299-A301 VanDerWaalsContact C-N 3.33Å; I299-A301 PolarHBondContact O-N 2.77Å; I299-R303 VanDerWaalsContact O-CA 3.23Å; I299-R303 WeakPolarHBondContact O-CA 3.39Å; I299-R303 PolarHBondContact O-N 3.03Å; I299-L338 HydrophobicContact CB-CB 4.45Å; I299-L338 HydrophobicContact CD1-CB 3.96Å; I299-L338 HydrophobicContact CD1-CD1 4.04Å; I299-L338 HydrophobicContact CG1-CB 3.82Å; I299-L338 HydrophobicContact CG1-CD1 3.92Å; I299-L338 VanDerWaalsContact CG2-C 3.49Å; I299-L338 HydrophobicContact CG2-CB 3.79Å; I299-L338 WeakPolarHBondContact CG2-O 3.47Å; I299-L341 HydrophobicContact CD1-CD1 4.46Å; I299-L342 HydrophobicContact CB-CD1 4.42Å; I299-L342 HydrophobicContact CB-CD2 4.2Å; I299-L342 HydrophobicContact CB-CG 4.41Å; I299-L342 HydrophobicContact CG2-CD1 3.79Å; I299-L342 HydrophobicContact CG2-CD2 4.07Å; I299-L342 HydrophobicContact CG2-CG 3.75Å |
| 300 | S | 84.8 | Confident | 88.4 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | K296 E297 K298 L342 | K296-S300 WeakPolarHBondContact O-CB 3.41Å; K296-S300 PolarHBondContact O-N 3.45Å; K296-S300 PolarHBondContact O-OG 2.87Å; E297-S300 WeakPolarHBondContact O-CB 3.4Å; E297-S300 PolarHBondContact O-N 3.47Å; K298-S300 VanDerWaalsContact C-N 3.27Å; K298-S300 PolarHBondContact O-N 2.9Å; S300-L342 VanDerWaalsContact OG-CD1 3.3Å; S300-L342 WeakPolarHBondContact OG-CD1 3.48Å |
| 301 | A | 83.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 51% | 0.512 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.2 | -39.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E297 K298 I299 | E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.17Å; K298-A301 PolarHBondContact O-N 3.09Å; I299-A301 VanDerWaalsContact C-N 3.33Å; I299-A301 PolarHBondContact O-N 2.77Å |
| 302 | Y | 81.1 | Confident | 88.5 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 37% | 0.365 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -123.3 | -16.1 | -167.3 | -51 | -47.7 | 0 | 0 | 0 | 115.3 | K298 F304 K368 | K298-Y302 HydrophobicContact CG-CD2 3.79Å; K298-Y302 HydrophobicContact CG-CE2 4.09Å; K298-Y302 PolarHBondContact O-N 2.73Å; Y302-F304 PolarHBondContact O-N 3.18Å; Y302-K368 HydrophobicContact CD1-CB 4.11Å; Y302-K368 HydrophobicContact CD1-CG 3.49Å; Y302-K368 VanDerWaalsContact CD1-CG 3.49Å; Y302-K368 HydrophobicContact CE1-CB 3.69Å; Y302-K368 HydrophobicContact CE1-CD 4.49Å; Y302-K368 HydrophobicContact CE1-CG 3.17Å; Y302-K368 HydrophobicContact CE2-CB 4.29Å; Y302-K368 HydrophobicContact CG-CG 4.36Å |
| 303 | R | 81.9 | Confident | 87.7 | Confident | 157 Ų | 157 | 52.5 Ų | 52.5 | 59% | 0.592 | 26% | 0.256 | S | S | * | . | trans | 64.1 | -34.2 | 178.6 | -54.5 | -179.8 | -179.5 | 178.2 | -3.7 | 115.9 | I299 N337 L338 T339 | I299-R303 VanDerWaalsContact O-CA 3.23Å; I299-R303 WeakPolarHBondContact O-CA 3.39Å; I299-R303 PolarHBondContact O-N 3.03Å; R303-N337 WeakPolarHBondContact O-CA 3.39Å; R303-N337 PolarHBondContact O-OD1 2.88Å; R303-L338 PolarHBondContact O-N 2.98Å; R303-T339 WeakPolarHBondContact CB-OG1 3.26Å | ||
| 304 | F | 89.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.7 | -172.4 | -60.8 | -73.2 | 0 | 0 | 0 | 113.3 | Y302 Y335 V336 N337 | Y302-F304 PolarHBondContact O-N 3.18Å; F304-Y335 HydrophobicContact CB-CD1 4.47Å; F304-V336 CarbonylContact C-O 3.39Å; F304-V336 WeakPolarHBondContact CA-O 3.34Å; F304-N337 HydrophobicContact CD1-CB 4.21Å; F304-N337 HydrophobicContact CE1-CB 4.05Å |
| 305 | L | 92.2 | Very high | 84 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121 | 167.7 | -177.7 | 75.6 | 0 | 0 | 0 | 109.7 | L191 P192 V336 L338 | L191-L305 HydrophobicContact CD1-CD2 4.26Å; P192-L305 HydrophobicContact CG-CD1 4.23Å; P192-L305 VanDerWaalsContact O-CD1 3.28Å; P192-L305 WeakPolarHBondContact O-CD1 3.32Å; L305-V336 HydrophobicContact CB-CB 4.32Å; L305-V336 PolarHBondContact N-O 3.23Å; L305-V336 PolarHBondContact O-N 2.68Å; L305-L338 HydrophobicContact CB-CD1 3.63Å; L305-L338 HydrophobicContact CB-CG 3.84Å; L305-L338 HydrophobicContact CD1-CD1 4.39Å; L305-L338 HydrophobicContact CD2-CD1 4.02Å; L305-L338 HydrophobicContact CG-CD1 4.22Å |
| 306 | P | 94.7 | Very high | 81.4 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.1 | 176.8 | 30.1 | -32.1 | 0 | 0 | 0 | 111.6 | L191 P192 V333 Y363 T367 | L191-P306 WeakPolarHBondContact CB-O 3.45Å; P192-P306 VanDerWaalsContact CD-O 3.23Å; P192-P306 WeakPolarHBondContact CD-O 3.45Å; P192-P306 HydrophobicContact CG-CG 3.96Å; P306-V333 HydrophobicContact CB-CG1 3.78Å; P306-Y363 HydrophobicContact CB-CD2 4.2Å; P306-Y363 HydrophobicContact CB-CE2 3.56Å; P306-Y363 HydrophobicContact CG-CE2 3.83Å; P306-T367 HydrophobicContact CB-CG2 3.93Å; P306-T367 HydrophobicContact CG-CG2 3.76Å |
| 307 | V | 96 | Very high | 78.6 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 102.2 | 166.6 | -176 | 0 | 0 | 0 | 0 | 107.7 | A190 L191 V333 A334 V336 | A190-V307 CarbonylContact O-C 3.56Å; L191-V307 HydrophobicContact CB-CG2 4.14Å; L191-V307 HydrophobicContact CD2-CG1 4.48Å; L191-V307 HydrophobicContact CD2-CG2 3.95Å; V307-V333 CarbonylContact O-C 3.57Å; V307-V333 WeakPolarHBondContact O-CA 3.25Å; V307-A334 HydrophobicContact CB-CB 4.4Å; V307-A334 PolarHBondContact N-O 2.98Å; V307-A334 PolarHBondContact O-N 2.95Å; V307-V336 HydrophobicContact CG2-CG2 3.7Å |
| 308 | E | 95.4 | Very high | 76 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134 | 178.9 | -58.1 | -169.1 | -128.9 | 0 | 0 | 110.3 | A189 A190 H331 G332 V333 Y363 S372 L373 | A189-E308 CarbonylContact C-O 3.57Å; A189-E308 VanDerWaalsContact CA-O 3.3Å; A189-E308 WeakPolarHBondContact CA-O 3.41Å; A190-E308 PolarHBondContact N-O 3.42Å; A190-E308 PolarHBondContact O-N 2.72Å; E308-H331 IonicContact OE2-CE1 3.49Å; E308-H331 PolarHBondContact OE2-CE1 3.4Å; E308-H331 IonicContact OE2-NE2 3.48Å; E308-H331 PolarHBondContact OE2-NE2 2.9Å; E308-G332 CarbonylContact C-O 3.59Å; E308-G332 WeakPolarHBondContact CA-O 3.39Å; E308-V333 HydrophobicContact CG-CG2 4.14Å; E308-Y363 HydrophobicContact CG-CE2 4.36Å; E308-Y363 PolarHBondContact OE1-OH 2.65Å; E308-S372 WeakPolarHBondContact OE1-CA 3.35Å; E308-S372 WeakPolarHBondContact OE2-CB 3.34Å; E308-S372 PolarHBondContact OE2-OG 3.45Å; E308-L373 WeakPolarHBondContact OE1-CB 3.06Å; E308-L373 PolarHBondContact OE1-N 3.49Å |
| 309 | V | 94 | Very high | 73.4 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.7 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | I172 V188 A189 W279 H331 G332 I355 | I172-V309 HydrophobicContact CD1-CB 4.16Å; I172-V309 HydrophobicContact CD1-CG1 3.37Å; I172-V309 HydrophobicContact CD1-CG2 3.93Å; V188-V309 WeakPolarHBondContact O-CA 3.42Å; A189-V309 HydrophobicContact CB-CG2 4.23Å; W279-V309 HydrophobicContact CH2-CG1 4.38Å; V309-H331 CarbonylContact O-C 3.41Å; V309-H331 WeakPolarHBondContact O-CA 3.39Å; V309-G332 PolarHBondContact N-O 3.21Å; V309-G332 PolarHBondContact O-N 3.23Å; V309-I355 HydrophobicContact CG2-CD1 4.18Å |
| 310 | F | 92.1 | Very high | 71 | Confident | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 169.6 | 174.8 | 58 | -84.9 | 0 | 0 | 0 | 110.5 | V188 I312 Y328 H331 I374 V377 L378 | V188-F310 HydrophobicContact CB-CD2 4.44Å; V188-F310 HydrophobicContact CB-CE1 4.33Å; V188-F310 HydrophobicContact CB-CE2 4.01Å; V188-F310 HydrophobicContact CB-CZ 3.95Å; V188-F310 HydrophobicContact CG1-CE1 4.15Å; V188-F310 HydrophobicContact CG1-CE2 4.3Å; V188-F310 HydrophobicContact CG1-CZ 3.78Å; V188-F310 HydrophobicContact CG2-CE2 4.46Å; V188-F310 PolarHBondContact N-O 3.28Å; V188-F310 PolarHBondContact O-N 3Å; F310-I312 HydrophobicContact CD2-CG1 4.18Å; F310-I312 HydrophobicContact CE2-CD1 4.07Å; F310-I312 HydrophobicContact CE2-CG1 3.96Å; F310-Y328 HydrophobicContact CB-CD2 4.43Å; F310-H331 HydrophobicContact CB-CB 4.37Å; F310-I374 HydrophobicContact CB-CD1 4.19Å; F310-I374 HydrophobicContact CD1-CD1 3.97Å; F310-I374 HydrophobicContact CD1-CG1 3.67Å; F310-I374 HydrophobicContact CE1-CG1 3.76Å; F310-I374 HydrophobicContact CG-CD1 4Å; F310-I374 HydrophobicContact CG-CG1 4.11Å; F310-I374 HydrophobicContact CZ-CG1 4.23Å; F310-V377 HydrophobicContact CE1-CG1 4.31Å; F310-V377 HydrophobicContact CZ-CB 4Å; F310-V377 HydrophobicContact CZ-CG1 3.61Å; F310-L378 HydrophobicContact CE2-CD2 4.13Å; F310-L378 HydrophobicContact CE2-CG 4.5Å |
| 311 | C | 88 | Confident | 68.6 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.2 | -172.6 | -157.5 | 0 | 0 | 0 | 0 | 111.7 | Y185 F187 Y328 T329 H330 | Y185-C311 WeakPolarHBondContact CB-SG 3.11Å; Y185-C311 HydrophobicContact CD1-CB 4.31Å; Y185-C311 WeakPolarHBondContact CD1-SG 3.45Å; Y185-C311 VanDerWaalsContact CG-SG 3.6Å; F187-C311 HydrophobicContact CD1-CB 4.01Å; F187-C311 HydrophobicContact CE1-CB 3.93Å; F187-C311 VanDerWaalsContact CE1-SG 3.54Å; C311-Y328 CarbonylContact O-C 3.35Å; C311-Y328 VanDerWaalsContact O-CA 3.29Å; C311-Y328 WeakPolarHBondContact O-CA 3.45Å; C311-T329 PolarHBondContact N-O 3.46Å; C311-T329 PolarHBondContact O-N 3.11Å; C311-H330 HydrophobicContact CB-CB 4.28Å |
| 312 | I | 84.9 | Confident | 66.8 | Low | 24 Ų | 24 | 76.3 Ų | 76.3 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.1 | 177.5 | -54.7 | 174.6 | 0 | 0 | 0 | 108.4 | N186 V188 F310 G314 L378 V381 | N186-I312 PolarHBondContact N-O 3.05Å; N186-I312 VanDerWaalsContact N-O 3.15Å; N186-I312 PolarHBondContact O-N 2.86Å; V188-I312 HydrophobicContact CG2-CD1 3.7Å; V188-I312 HydrophobicContact CG2-CG1 4.2Å; F310-I312 HydrophobicContact CD2-CG1 4.18Å; F310-I312 HydrophobicContact CE2-CD1 4.07Å; F310-I312 HydrophobicContact CE2-CG1 3.96Å; I312-G314 PolarHBondContact O-N 3.41Å; I312-L378 HydrophobicContact CD1-CD2 3.88Å; I312-L378 HydrophobicContact CG1-CD2 4.05Å; I312-V381 HydrophobicContact CD1-CB 4.32Å; I312-V381 HydrophobicContact CD1-CG1 3.82Å |
| 313 | Q | 70.2 | Confident | 65 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.4 | 174.7 | -77.2 | 177.6 | -23.8 | 0 | 0 | 110.3 | Y185 S315 | Y185-Q313 HydrophobicContact CD1-CG 3.94Å; Y185-Q313 HydrophobicContact CE1-CG 3.29Å; Y185-Q313 PolarHBondContact OH-NE2 3.27Å; Q313-S315 PolarHBondContact O-N 3Å |
| 314 | G | 57.5 | Low | 63.5 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 118.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I312 S316 | I312-G314 PolarHBondContact O-N 3.41Å; G314-S316 PolarHBondContact O-N 3.41Å |
| 315 | S | 39.8 | Very low | 61.9 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | trans | -70 | 96 | 171.1 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | Q313 S317 | Q313-S315 PolarHBondContact O-N 3Å; S315-S317 PolarHBondContact O-N 3.41Å | ||
| 316 | S | 34.4 | Very low | 60.6 | Low | 96 Ų | 96 | 81.9 Ų | 81.9 | 67% | 0.671 | 45% | 0.445 | S | S | * | . | trans | -56.9 | 117.9 | 160.6 | 50.6 | 0 | 0 | 0 | 0 | 108.6 | G314 | G314-S316 PolarHBondContact O-N 3.41Š| ||
| 317 | S | 30.3 | Very low | 59.7 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 83% | 0.832 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 50.9 | 103.5 | 163.6 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | S315 | S315-S317 PolarHBondContact O-N 3.41Š|
| 318 | G | 31.6 | Very low | 59.1 | Low | 65 Ų | 65 | 89.7 Ų | 89.7 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 135 | 106 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K320 | G318-K320 PolarHBondContact O-N 3.38Š|
| 319 | R | 31.7 | Very low | 58.7 | Low | 243 Ų | 243 | 91.7 Ų | 91.7 | 92% | 0.917 | 49% | 0.493 | S | S | * | . | trans | 26.4 | 80.1 | 155.3 | -67.9 | 177.8 | 172.3 | 167.4 | -2.1 | 116.3 | ||||
| 320 | K | 37 | Very low | 58.3 | Low | 125 Ų | 125 | 94.7 Ų | 94.7 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | trans | -90.2 | 128 | 161 | -81.1 | -172.7 | 173.7 | -178.3 | 0 | 110.4 | G318 | G318-K320 PolarHBondContact O-N 3.38Š| ||
| 321 | K | 34.1 | Very low | 58.3 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | trans | -64.7 | 144.5 | 169.2 | -78.1 | 171.6 | 179.7 | 158.6 | 0 | 108.2 | D323 D324 T396 | K321-D323 PolarHBondContact O-N 3Å; K321-D324 PolarHBondContact O-N 3.44Å; K321-T396 PolarHBondContact NZ-O 2.98Å | ||
| 322 | K | 45.7 | Very low | 58.5 | Low | 211 Ų | 211 | 96.4 Ų | 96.4 | 92% | 0.917 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 4.4 | -170.3 | -146.9 | -178.4 | 179.2 | -176.7 | 0 | 115.9 | ||
| 323 | D | 43.7 | Very low | 59 | Low | 153 Ų | 153 | 95.3 Ų | 95.3 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 3.1 | -175.1 | -72.3 | -30.6 | 0 | 0 | 0 | 114.5 | K321 E325 | K321-D323 PolarHBondContact O-N 3Å; D323-E325 PolarHBondContact O-N 3Å |
| 324 | D | 49.8 | Very low | 60.3 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 116.3 | 174.3 | -70.9 | -27.2 | 0 | 0 | 0 | 110 | K321 | K321-D324 PolarHBondContact O-N 3.44Š|
| 325 | E | 57.4 | Low | 62 | Low | 158 Ų | 158 | 89.8 Ų | 89.8 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 137.4 | 173.1 | -74.7 | -171.6 | 153.7 | 0 | 0 | 110.5 | D323 T327 | D323-E325 PolarHBondContact O-N 3Å; E325-T327 PolarHBondContact O-N 3.2Å |
| 326 | P | 65.2 | Low | 64.6 | Low | 48 Ų | 48 | 87.2 Ų | 87.2 | 31% | 0.312 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 123.7 | 177.6 | 27.1 | -35.3 | 0 | 0 | 0 | 110.4 | L378 | P326-L378 HydrophobicContact CB-CD2 4.18Å; P326-L378 HydrophobicContact CG-CB 3.89Å; P326-L378 HydrophobicContact CG-CD1 4.41Å; P326-L378 HydrophobicContact CG-CD2 4.15Å; P326-L378 HydrophobicContact CG-CG 4.37Å |
| 327 | T | 75.4 | Confident | 67.2 | Low | 78 Ų | 78 | 85.5 Ų | 85.5 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -83 | 143.5 | 179.6 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | E325 | E325-T327 PolarHBondContact O-N 3.2Š|
| 328 | Y | 84.2 | Confident | 70.1 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 43% | 0.431 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.1 | 176 | 70.2 | -84.6 | 0 | 0 | 0 | 111.3 | F310 C311 H331 I374 L378 | F310-Y328 HydrophobicContact CB-CD2 4.43Å; C311-Y328 CarbonylContact O-C 3.35Å; C311-Y328 VanDerWaalsContact O-CA 3.29Å; C311-Y328 WeakPolarHBondContact O-CA 3.45Å; Y328-H331 HydrophobicContact CD2-CB 4.32Å; Y328-H331 HydrophobicContact CE2-CB 4.05Å; Y328-I374 HydrophobicContact CD1-CG2 3.77Å; Y328-I374 HydrophobicContact CD2-CD1 3.68Å; Y328-I374 HydrophobicContact CE1-CD1 4.49Å; Y328-I374 HydrophobicContact CE1-CG2 3.69Å; Y328-I374 HydrophobicContact CE2-CD1 3.46Å; Y328-I374 VanDerWaalsContact CE2-CD1 3.46Å; Y328-I374 HydrophobicContact CE2-CG2 4.44Å; Y328-I374 HydrophobicContact CG-CD1 4.3Å; Y328-I374 HydrophobicContact CG-CG2 4.19Å; Y328-L378 HydrophobicContact CD1-CD1 3.84Å |
| 329 | T | 85.6 | Confident | 72.7 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 170.3 | 177.9 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | C311 H331 | C311-T329 PolarHBondContact N-O 3.46Å; C311-T329 PolarHBondContact O-N 3.11Å; T329-H331 PolarHBondContact O-N 3.39Å |
| 330 | H | 86.1 | Confident | 75.2 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 48.4 | 171.9 | -55.9 | 96.2 | 0 | 0 | 0 | 114.8 | T178 F179 C311 G332 | T178-H330 PolarHBondContact OG1-NE2 3.23Å; F179-H330 AromaticContact CD1-CD2 3.9Å; F179-H330 HydrophobicContact CE1-CB 3.92Å; F179-H330 AromaticContact CE1-CD2 3.47Å; F179-H330 VanDerWaalsContact CE1-CD2 3.47Å; F179-H330 WeakPolarHBondContact CE1-CD2 3.25Å; F179-H330 AromaticContact CE1-CG 3.76Å; F179-H330 HydrophobicContact CZ-CB 4.22Å; C311-H330 HydrophobicContact CB-CB 4.28Å; H330-G332 PolarHBondContact O-N 3.42Å |
| 331 | H | 91.2 | Very high | 77.4 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.5 | -179.6 | -176.5 | -164.2 | 0 | 0 | 0 | 112.2 | E308 V309 F310 Y328 T329 F358 I374 | E308-H331 IonicContact OE2-CE1 3.49Å; E308-H331 PolarHBondContact OE2-CE1 3.4Å; E308-H331 IonicContact OE2-NE2 3.48Å; E308-H331 PolarHBondContact OE2-NE2 2.9Å; V309-H331 CarbonylContact O-C 3.41Å; V309-H331 WeakPolarHBondContact O-CA 3.39Å; F310-H331 HydrophobicContact CB-CB 4.37Å; Y328-H331 HydrophobicContact CD2-CB 4.32Å; Y328-H331 HydrophobicContact CE2-CB 4.05Å; T329-H331 PolarHBondContact O-N 3.39Å; H331-F358 HydrophobicContact CB-CB 4.24Å; H331-F358 VanDerWaalsContact CE1-CB 3.45Å; H331-F358 WeakPolarHBondContact CE1-CB 3.45Å; H331-F358 AromaticContact CE1-CD1 3.48Å; H331-F358 VanDerWaalsContact CE1-CD1 3.48Å; H331-F358 WeakPolarHBondContact CE1-CD1 3.28Å; H331-F358 AromaticContact CE1-CD2 3.11Å; H331-F358 WeakPolarHBondContact CE1-CD2 3.32Å; H331-F358 AromaticContact CE1-CE1 3.93Å; H331-F358 AromaticContact CE1-CE2 3.63Å; H331-F358 AromaticContact CE1-CG 3.04Å; H331-F358 WeakPolarHBondContact CE1-CG 3.33Å; H331-F358 VanDerWaalsContact CG-CB 3.48Å; H331-F358 AromaticContact CG-CG 3.98Å; H331-F358 WeakPolarHBondContact ND1-CB 3.23Å; H331-F358 AromaticContact ND1-CD1 3.51Å; H331-F358 AromaticContact ND1-CD2 3.84Å; H331-F358 AromaticContact ND1-CG 3.25Å; H331-F358 VanDerWaalsContact ND1-CG 3.25Å; H331-F358 WeakPolarHBondContact ND1-CG 3.49Å; H331-F358 AromaticContact NE2-CD2 3.42Å; H331-F358 WeakPolarHBondContact NE2-CD2 3.16Å; H331-F358 AromaticContact NE2-CG 3.65Å; H331-F358 PolarHBondContact O-N 2.88Å; H331-F358 VanDerWaalsContact O-N 3.09Å; H331-I374 HydrophobicContact CB-CD1 4.22Å; H331-I374 WeakPolarHBondContact CE1-CD1 3.04Å; H331-I374 VanDerWaalsContact CG-CD1 3.49Å; H331-I374 VanDerWaalsContact ND1-CD1 3.34Å; H331-I374 WeakPolarHBondContact ND1-CD1 3.48Å; H331-I374 WeakPolarHBondContact NE2-CD1 3.25Å |
| 332 | G | 93.2 | Very high | 79.8 | Confident | 5 Ų | 5 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 168.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E308 V309 H330 Y356 | E308-G332 CarbonylContact C-O 3.59Å; E308-G332 WeakPolarHBondContact CA-O 3.39Å; V309-G332 PolarHBondContact N-O 3.21Å; V309-G332 PolarHBondContact O-N 3.23Å; H330-G332 PolarHBondContact O-N 3.42Å; G332-Y356 CarbonylContact C-O 3.48Å; G332-Y356 WeakPolarHBondContact CA-O 3.25Å |
| 333 | V | 95.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.1 | 179.4 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | P306 V307 E308 Y335 Y356 F358 Y363 | P306-V333 HydrophobicContact CB-CG1 3.78Å; V307-V333 CarbonylContact O-C 3.57Å; V307-V333 WeakPolarHBondContact O-CA 3.25Å; E308-V333 HydrophobicContact CG-CG2 4.14Å; V333-Y335 HydrophobicContact CB-CE2 4.49Å; V333-Y335 HydrophobicContact CG1-CD1 4.32Å; V333-Y335 HydrophobicContact CG1-CE1 3.98Å; V333-Y335 HydrophobicContact CG1-CE2 4.41Å; V333-Y356 PolarHBondContact N-O 3.09Å; V333-Y356 PolarHBondContact O-N 3.16Å; V333-F358 HydrophobicContact CG2-CB 4.24Å; V333-F358 HydrophobicContact CG2-CD2 3.53Å; V333-F358 HydrophobicContact CG2-CE2 4.4Å; V333-F358 HydrophobicContact CG2-CG 4.37Å; V333-Y363 HydrophobicContact CG1-CD2 4.36Å; V333-Y363 HydrophobicContact CG2-CD2 4.35Å |
| 334 | A | 96.3 | Very high | 82.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V307 I355 | V307-A334 HydrophobicContact CB-CB 4.4Å; V307-A334 PolarHBondContact N-O 2.98Å; V307-A334 PolarHBondContact O-N 2.95Å; A334-I355 HydrophobicContact CB-CG1 4.22Å |
| 335 | Y | 94.4 | Very high | 83.5 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 100.5 | 178.5 | -63.7 | -77.9 | 0 | 0 | 0 | 109.4 | F304 V333 Y356 Y363 K366 T367 | F304-Y335 HydrophobicContact CB-CD1 4.47Å; V333-Y335 HydrophobicContact CB-CE2 4.49Å; V333-Y335 HydrophobicContact CG1-CD1 4.32Å; V333-Y335 HydrophobicContact CG1-CE1 3.98Å; V333-Y335 HydrophobicContact CG1-CE2 4.41Å; Y335-Y356 AromaticContact CD2-CD2 3.96Å; Y335-Y356 HydrophobicContact CD2-CD2 3.96Å; Y335-Y356 HydrophobicContact CD2-CE2 4.41Å; Y335-Y356 HydrophobicContact CE2-CD2 4.22Å; Y335-Y363 WeakPolarHBondContact OH-CA 3.47Å; Y335-Y363 PolarHBondContact OH-N 2.76Å; Y335-K366 HydrophobicContact CD1-CB 4.19Å; Y335-K366 HydrophobicContact CD1-CD 3.91Å; Y335-K366 HydrophobicContact CD2-CD 3.92Å; Y335-K366 HydrophobicContact CE1-CB 3.94Å; Y335-K366 HydrophobicContact CE1-CD 3.77Å; Y335-K366 HydrophobicContact CE1-CG 4.5Å; Y335-K366 HydrophobicContact CE2-CD 3.78Å; Y335-K366 HydrophobicContact CG-CD 3.98Å; Y335-T367 HydrophobicContact CD1-CG2 4.16Å; Y335-T367 HydrophobicContact CE1-CG2 3.9Å |
| 336 | V | 94 | Very high | 84.4 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.9 | -177.5 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | F304 L305 V307 L338 V349 Y353 | F304-V336 CarbonylContact C-O 3.39Å; F304-V336 WeakPolarHBondContact CA-O 3.34Å; L305-V336 HydrophobicContact CB-CB 4.32Å; L305-V336 PolarHBondContact N-O 3.23Å; L305-V336 PolarHBondContact O-N 2.68Å; V307-V336 HydrophobicContact CG2-CG2 3.7Å; V336-L338 HydrophobicContact CG1-CD2 3.83Å; V336-L338 PolarHBondContact O-N 3.23Å; V336-V349 HydrophobicContact CG1-CG1 4.42Å; V336-Y353 HydrophobicContact CB-CE1 4.26Å; V336-Y353 HydrophobicContact CB-CE2 4.47Å; V336-Y353 HydrophobicContact CG1-CE1 4.11Å; V336-Y353 HydrophobicContact CG1-CE2 4Å; V336-Y353 HydrophobicContact CG2-CD1 4.27Å; V336-Y353 HydrophobicContact CG2-CD2 3.9Å; V336-Y353 HydrophobicContact CG2-CE1 4.37Å; V336-Y353 HydrophobicContact CG2-CE2 4.03Å; V336-Y353 HydrophobicContact CG2-CG 4.04Å |
| 337 | N | 89.3 | Confident | 85 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 111.8 | 176.2 | -177.9 | 13 | 0 | 0 | 0 | 110.1 | R303 F304 T339 | R303-N337 WeakPolarHBondContact O-CA 3.39Å; R303-N337 PolarHBondContact O-OD1 2.88Å; F304-N337 HydrophobicContact CD1-CB 4.21Å; F304-N337 HydrophobicContact CE1-CB 4.05Å; N337-T339 WeakPolarHBondContact OD1-CB 3.5Å; N337-T339 PolarHBondContact OD1-N 2.87Å; N337-T339 PolarHBondContact OD1-OG1 3.32Å |
| 338 | L | 90.3 | Very high | 85.5 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | trans | -94.2 | -1.4 | 178.5 | -64.5 | -172.9 | 0 | 0 | 0 | 113.5 | I299 R303 L305 V336 P340 L341 | I299-L338 HydrophobicContact CB-CB 4.45Å; I299-L338 HydrophobicContact CD1-CB 3.96Å; I299-L338 HydrophobicContact CD1-CD1 4.04Å; I299-L338 HydrophobicContact CG1-CB 3.82Å; I299-L338 HydrophobicContact CG1-CD1 3.92Å; I299-L338 VanDerWaalsContact CG2-C 3.49Å; I299-L338 HydrophobicContact CG2-CB 3.79Å; I299-L338 WeakPolarHBondContact CG2-O 3.47Å; R303-L338 PolarHBondContact O-N 2.98Å; L305-L338 HydrophobicContact CB-CD1 3.63Å; L305-L338 HydrophobicContact CB-CG 3.84Å; L305-L338 HydrophobicContact CD1-CD1 4.39Å; L305-L338 HydrophobicContact CD2-CD1 4.02Å; L305-L338 HydrophobicContact CG-CD1 4.22Å; V336-L338 HydrophobicContact CG1-CD2 3.83Å; V336-L338 PolarHBondContact O-N 3.23Å; L338-P340 VanDerWaalsContact O-N 3.16Å; L338-L341 HydrophobicContact CB-CD1 4.39Å; L338-L341 HydrophobicContact CD2-CD1 4.02Å; L338-L341 WeakPolarHBondContact O-CB 3.22Å; L338-L341 PolarHBondContact O-N 3.03Å | ||
| 339 | T | 86.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -49.6 | -39 | 179.3 | -49.8 | 0 | 0 | 0 | 0 | 113.4 | R303 N337 L341 L342 Y343 | R303-T339 WeakPolarHBondContact CB-OG1 3.26Å; N337-T339 WeakPolarHBondContact OD1-CB 3.5Å; N337-T339 PolarHBondContact OD1-N 2.87Å; N337-T339 PolarHBondContact OD1-OG1 3.32Å; T339-L341 PolarHBondContact O-N 3.32Å; T339-L341 VanDerWaalsContact O-N 3.16Å; T339-L342 WeakPolarHBondContact O-CB 3.22Å; T339-L342 PolarHBondContact O-N 3.37Å; T339-Y343 HydrophobicContact CG2-CE1 4.45Å |
| 340 | P | 83.6 | Confident | 85.6 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -57.9 | -29.1 | 178.3 | -25 | 34.6 | 0 | 0 | 0 | 114.6 | L338 L342 Y343 V346 V349 | L338-P340 VanDerWaalsContact O-N 3.16Å; P340-L342 PolarHBondContact O-N 2.69Å; P340-L342 VanDerWaalsContact O-N 3.11Å; P340-Y343 HydrophobicContact CB-CD2 4.2Å; P340-Y343 HydrophobicContact CB-CE2 4.27Å; P340-Y343 WeakPolarHBondContact O-CB 3.36Å; P340-Y343 PolarHBondContact O-N 3.13Å; P340-V346 HydrophobicContact CB-CG1 4.3Å; P340-V346 VanDerWaalsContact O-CB 3.26Å; P340-V346 WeakPolarHBondContact O-CB 3.32Å; P340-V346 VanDerWaalsContact O-CG1 3.29Å; P340-V346 WeakPolarHBondContact O-CG1 3.4Å; P340-V349 HydrophobicContact CB-CG2 3.83Å; P340-V349 HydrophobicContact CG-CG2 4.14Å |
| 341 | L | 84.7 | Confident | 85.7 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -66.7 | -10 | 176.3 | -63.3 | 177.5 | 0 | 0 | 0 | 113.8 | I299 L338 T339 V349 | I299-L341 HydrophobicContact CD1-CD1 4.46Å; L338-L341 HydrophobicContact CB-CD1 4.39Å; L338-L341 HydrophobicContact CD2-CD1 4.02Å; L338-L341 WeakPolarHBondContact O-CB 3.22Å; L338-L341 PolarHBondContact O-N 3.03Å; T339-L341 PolarHBondContact O-N 3.32Å; T339-L341 VanDerWaalsContact O-N 3.16Å; L341-V349 HydrophobicContact CD1-CG2 4.45Å; L341-V349 HydrophobicContact CD2-CB 4.4Å; L341-V349 HydrophobicContact CD2-CG2 3.81Å; L341-V349 HydrophobicContact CG-CB 4.43Å; L341-V349 HydrophobicContact CG-CG2 3.67Å |
| 342 | L | 83.5 | Confident | 85.6 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -85.8 | -15.1 | 173.1 | -58.8 | 179.6 | 0 | 0 | 0 | 112.3 | K296 I299 S300 T339 P340 | K296-L342 HydrophobicContact CB-CD2 4.06Å; K296-L342 HydrophobicContact CG-CD2 4.07Å; I299-L342 HydrophobicContact CB-CD1 4.42Å; I299-L342 HydrophobicContact CB-CD2 4.2Å; I299-L342 HydrophobicContact CB-CG 4.41Å; I299-L342 HydrophobicContact CG2-CD1 3.79Å; I299-L342 HydrophobicContact CG2-CD2 4.07Å; I299-L342 HydrophobicContact CG2-CG 3.75Å; S300-L342 VanDerWaalsContact OG-CD1 3.3Å; S300-L342 WeakPolarHBondContact OG-CD1 3.48Å; T339-L342 WeakPolarHBondContact O-CB 3.22Å; T339-L342 PolarHBondContact O-N 3.37Å; P340-L342 PolarHBondContact O-N 2.69Å; P340-L342 VanDerWaalsContact O-N 3.11Å |
| 343 | Y | 78.7 | Confident | 85.6 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -76.9 | 137.6 | -178.1 | -57.5 | -29.7 | 0 | 0 | 0 | 111.3 | T339 P340 G345 V346 | T339-Y343 HydrophobicContact CG2-CE1 4.45Å; P340-Y343 HydrophobicContact CB-CD2 4.2Å; P340-Y343 HydrophobicContact CB-CE2 4.27Å; P340-Y343 WeakPolarHBondContact O-CB 3.36Å; P340-Y343 PolarHBondContact O-N 3.13Å; Y343-G345 PolarHBondContact O-N 3.39Å; Y343-V346 PolarHBondContact O-N 2.69Å; Y343-V346 VanDerWaalsContact O-N 3.16Å |
| 344 | P | 67.6 | Low | 85.4 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 79% | 0.786 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.5 | 176.7 | -25.1 | 34.2 | 0 | 0 | 0 | 112.1 | V346 | P344-V346 VanDerWaalsContact C-N 3.29Å; P344-V346 PolarHBondContact O-N 3.36Å |
| 345 | G | 70.7 | Confident | 85.3 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 85% | 0.845 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -6.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y343 | Y343-G345 PolarHBondContact O-N 3.39Š|
| 346 | V | 75.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | trans | -85.9 | 116.3 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | P340 Y343 P344 Y348 | P340-V346 HydrophobicContact CB-CG1 4.3Å; P340-V346 VanDerWaalsContact O-CB 3.26Å; P340-V346 WeakPolarHBondContact O-CB 3.32Å; P340-V346 VanDerWaalsContact O-CG1 3.29Å; P340-V346 WeakPolarHBondContact O-CG1 3.4Å; Y343-V346 PolarHBondContact O-N 2.69Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; P344-V346 VanDerWaalsContact C-N 3.29Å; P344-V346 PolarHBondContact O-N 3.36Å; V346-Y348 WeakPolarHBondContact CG1-O 3.45Å | ||
| 347 | D | 79 | Confident | 85.1 | Confident | 136 Ų | 136 | 63.7 Ų | 63.7 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | trans | -113.1 | -4.7 | -176.1 | 61.2 | -12 | 0 | 0 | 0 | 113.8 | ||||
| 348 | Y | 85.9 | Confident | 85.2 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | trans | -145.9 | 158.7 | 174.4 | 72.4 | -90.1 | 0 | 0 | 0 | 112.8 | K252 V346 R350 | K252-Y348 WeakPolarHBondContact CD-OH 3.45Å; V346-Y348 WeakPolarHBondContact CG1-O 3.45Å; Y348-R350 HydrophobicContact CD2-CB 4.06Å; Y348-R350 HydrophobicContact CE2-CB 4.31Å | ||
| 349 | V | 85.6 | Confident | 85.1 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | trans | -128.1 | 126 | 165.3 | 164.2 | 0 | 0 | 0 | 0 | 107.4 | D255 V336 P340 L341 Y353 | D255-V349 HydrophobicContact CB-CG1 4.08Å; D255-V349 VanDerWaalsContact OD2-CA 3.31Å; D255-V349 WeakPolarHBondContact OD2-CA 3.48Å; V336-V349 HydrophobicContact CG1-CG1 4.42Å; P340-V349 HydrophobicContact CB-CG2 3.83Å; P340-V349 HydrophobicContact CG-CG2 4.14Å; L341-V349 HydrophobicContact CD1-CG2 4.45Å; L341-V349 HydrophobicContact CD2-CB 4.4Å; L341-V349 HydrophobicContact CD2-CG2 3.81Å; L341-V349 HydrophobicContact CG-CB 4.43Å; L341-V349 HydrophobicContact CG-CG2 3.67Å; V349-Y353 VanDerWaalsContact CG1-OH 3.3Å; V349-Y353 WeakPolarHBondContact CG1-OH 3.46Å | ||
| 350 | R | 85.4 | Confident | 85 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | trans | -141 | 126.6 | -179.1 | -179.7 | 173.2 | -177.5 | -94.9 | -6.9 | 110.3 | E170 E254 D255 Y348 | E170-R350 IonicContact OE1-CZ 2.8Å; E170-R350 IonicContact OE1-NE 3.57Å; E170-R350 PolarHBondContact OE1-NE 3.16Å; E170-R350 IonicContact OE1-NH2 3.75Å; E170-R350 PolarHBondContact OE1-NH2 2.97Å; E170-R350 IonicContact OE2-NH2 3.3Å; E254-R350 CarbonylContact C-O 3.53Å; E254-R350 WeakPolarHBondContact CA-O 3.32Å; E254-R350 IonicContact OE1-CZ 3.28Å; E254-R350 IonicContact OE1-NH1 3.02Å; E254-R350 PolarHBondContact OE1-NH1 3.49Å; E254-R350 IonicContact OE1-NH2 2.72Å; D255-R350 PolarHBondContact N-O 3.32Å; D255-R350 PolarHBondContact OD2-N 2.83Å; Y348-R350 HydrophobicContact CD2-CB 4.06Å; Y348-R350 HydrophobicContact CE2-CB 4.31Å | ||
| 351 | G | 87.4 | Confident | 85 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 25% | 0.247 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D255 Y353 | D255-G351 WeakPolarHBondContact O-CA 3.49Å; G351-Y353 WeakPolarHBondContact O-CD2 3.26Å; G351-Y353 VanDerWaalsContact O-CE2 3.31Å; G351-Y353 WeakPolarHBondContact O-CE2 3.07Å |
| 352 | A | 89.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.1 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | G256 D257 F258 | G256-A352 CarbonylContact C-O 3.44Å; D257-A352 PolarHBondContact N-O 3.43Å; F258-A352 HydrophobicContact CB-CB 4.2Å; F258-A352 HydrophobicContact CD2-CB 4.27Å; F258-A352 PolarHBondContact N-O 3.49Å; F258-A352 VanDerWaalsContact N-O 3.14Å |
| 353 | Y | 93 | Very high | 85.4 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | trans | -123.2 | 141.4 | -172 | -62.7 | -92.5 | 0 | 0 | 0 | 109.9 | D257 V336 V349 G351 | D257-Y353 WeakPolarHBondContact OD2-CA 3.33Å; V336-Y353 HydrophobicContact CB-CE1 4.26Å; V336-Y353 HydrophobicContact CB-CE2 4.47Å; V336-Y353 HydrophobicContact CG1-CE1 4.11Å; V336-Y353 HydrophobicContact CG1-CE2 4Å; V336-Y353 HydrophobicContact CG2-CD1 4.27Å; V336-Y353 HydrophobicContact CG2-CD2 3.9Å; V336-Y353 HydrophobicContact CG2-CE1 4.37Å; V336-Y353 HydrophobicContact CG2-CE2 4.03Å; V336-Y353 HydrophobicContact CG2-CG 4.04Å; V349-Y353 VanDerWaalsContact CG1-OH 3.3Å; V349-Y353 WeakPolarHBondContact CG1-OH 3.46Å; G351-Y353 WeakPolarHBondContact O-CD2 3.26Å; G351-Y353 VanDerWaalsContact O-CE2 3.31Å; G351-Y353 WeakPolarHBondContact O-CE2 3.07Å | ||
| 354 | K | 93.1 | Very high | 85.8 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 46% | 0.457 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 131.5 | 177.8 | -172.3 | 171.6 | 178.6 | 178.5 | 0 | 109.7 | D257 F258 Y356 | D257-K354 HydrophobicContact CB-CB 4.27Å; D257-K354 WeakPolarHBondContact OD2-CB 3.38Å; D257-K354 PolarHBondContact OD2-N 2.95Å; F258-K354 HydrophobicContact CE2-CB 3.76Å; F258-K354 HydrophobicContact CE2-CG 4.42Å; F258-K354 HydrophobicContact CZ-CB 3.97Å; F258-K354 HydrophobicContact CZ-CD 4.41Å; F258-K354 HydrophobicContact CZ-CG 4.23Å; K354-Y356 HydrophobicContact CB-CE2 3.97Å; K354-Y356 HydrophobicContact CD-CE1 4.11Å; K354-Y356 HydrophobicContact CD-CE2 4.5Å; K354-Y356 HydrophobicContact CG-CE1 4.46Å; K354-Y356 HydrophobicContact CG-CE2 4.2Å; K354-Y356 WeakPolarHBondContact O-CD2 3.2Å; K354-Y356 WeakPolarHBondContact O-CE2 3.37Å |
| 355 | I | 94.1 | Very high | 86.7 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120 | 174.5 | -60.9 | 176.2 | 0 | 0 | 0 | 108.3 | I172 V309 A334 | I172-I355 HydrophobicContact CB-CD1 4.5Å; I172-I355 HydrophobicContact CD1-CD1 3.58Å; I172-I355 HydrophobicContact CG1-CD1 3.68Å; I172-I355 HydrophobicContact CG2-CD1 3.96Å; V309-I355 HydrophobicContact CG2-CD1 4.18Å; A334-I355 HydrophobicContact CB-CG1 4.22Å |
| 356 | Y | 92 | Very high | 87.4 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 147 | 174.4 | -62.2 | -89.6 | 0 | 0 | 0 | 109.8 | G332 V333 Y335 K354 F358 | G332-Y356 CarbonylContact C-O 3.48Å; G332-Y356 WeakPolarHBondContact CA-O 3.25Å; V333-Y356 PolarHBondContact N-O 3.09Å; V333-Y356 PolarHBondContact O-N 3.16Å; Y335-Y356 AromaticContact CD2-CD2 3.96Å; Y335-Y356 HydrophobicContact CD2-CD2 3.96Å; Y335-Y356 HydrophobicContact CD2-CE2 4.41Å; Y335-Y356 HydrophobicContact CE2-CD2 4.22Å; K354-Y356 HydrophobicContact CB-CE2 3.97Å; K354-Y356 HydrophobicContact CD-CE1 4.11Å; K354-Y356 HydrophobicContact CD-CE2 4.5Å; K354-Y356 HydrophobicContact CG-CE1 4.46Å; K354-Y356 HydrophobicContact CG-CE2 4.2Å; K354-Y356 WeakPolarHBondContact O-CD2 3.2Å; K354-Y356 WeakPolarHBondContact O-CE2 3.37Å; Y356-F358 PolarHBondContact O-N 3.47Å |
| 357 | P | 91.5 | Very high | 87.9 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 62% | 0.623 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55 | 140.5 | 168.4 | -23 | 33.4 | 0 | 0 | 0 | 110.8 | I359 | P357-I359 PolarHBondContact O-N 3.5Å; P357-I359 VanDerWaalsContact O-N 3.17Å |
| 358 | F | 91.3 | Very high | 88 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 21% | 0.211 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 119.3 | 179.3 | 178.9 | -95.8 | 0 | 0 | 0 | 111.6 | H331 V333 Y356 Q360 Y363 | H331-F358 HydrophobicContact CB-CB 4.24Å; H331-F358 VanDerWaalsContact CE1-CB 3.45Å; H331-F358 WeakPolarHBondContact CE1-CB 3.45Å; H331-F358 AromaticContact CE1-CD1 3.48Å; H331-F358 VanDerWaalsContact CE1-CD1 3.48Å; H331-F358 WeakPolarHBondContact CE1-CD1 3.28Å; H331-F358 AromaticContact CE1-CD2 3.11Å; H331-F358 WeakPolarHBondContact CE1-CD2 3.32Å; H331-F358 AromaticContact CE1-CE1 3.93Å; H331-F358 AromaticContact CE1-CE2 3.63Å; H331-F358 AromaticContact CE1-CG 3.04Å; H331-F358 WeakPolarHBondContact CE1-CG 3.33Å; H331-F358 VanDerWaalsContact CG-CB 3.48Å; H331-F358 AromaticContact CG-CG 3.98Å; H331-F358 WeakPolarHBondContact ND1-CB 3.23Å; H331-F358 AromaticContact ND1-CD1 3.51Å; H331-F358 AromaticContact ND1-CD2 3.84Å; H331-F358 AromaticContact ND1-CG 3.25Å; H331-F358 VanDerWaalsContact ND1-CG 3.25Å; H331-F358 WeakPolarHBondContact ND1-CG 3.49Å; H331-F358 AromaticContact NE2-CD2 3.42Å; H331-F358 WeakPolarHBondContact NE2-CD2 3.16Å; H331-F358 AromaticContact NE2-CG 3.65Å; H331-F358 PolarHBondContact O-N 2.88Å; H331-F358 VanDerWaalsContact O-N 3.09Å; V333-F358 HydrophobicContact CG2-CB 4.24Å; V333-F358 HydrophobicContact CG2-CD2 3.53Å; V333-F358 HydrophobicContact CG2-CE2 4.4Å; V333-F358 HydrophobicContact CG2-CG 4.37Å; Y356-F358 PolarHBondContact O-N 3.47Å; F358-Q360 HydrophobicContact CE1-CB 4.09Å; F358-Q360 HydrophobicContact CZ-CB 4.39Å; F358-Y363 HydrophobicContact CD2-CD2 4.43Å; F358-Y363 HydrophobicContact CE2-CD1 4.25Å; F358-Y363 AromaticContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CE2 4.4Å; F358-Y363 AromaticContact CE2-CG 3.78Å; F358-Y363 HydrophobicContact CE2-CG 3.78Å; F358-Y363 HydrophobicContact CZ-CG 4.44Å |
| 359 | I | 88.5 | Confident | 87.9 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 46% | 0.456 | 31% | 0.306 | S | S | . | . | trans | -125.7 | 107.8 | 173.2 | -59.7 | 172.3 | 0 | 0 | 0 | 107.7 | P357 K361 E362 Y363 | P357-I359 PolarHBondContact O-N 3.5Å; P357-I359 VanDerWaalsContact O-N 3.17Å; I359-K361 VanDerWaalsContact C-N 3.26Å; I359-K361 PolarHBondContact O-N 2.82Å; I359-K361 VanDerWaalsContact O-N 3.09Å; I359-E362 HydrophobicContact CB-CB 4.16Å; I359-E362 HydrophobicContact CG2-CB 4.28Å; I359-E362 PolarHBondContact O-N 2.78Å; I359-Y363 PolarHBondContact O-N 3.07Å | ||
| 360 | Q | 85.6 | Confident | 87.4 | Confident | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -45 | -46.7 | -175.9 | -177.2 | 65.4 | 40.8 | 0 | 0 | 113.7 | F358 Y363 E364 Q370 | F358-Q360 HydrophobicContact CE1-CB 4.09Å; F358-Q360 HydrophobicContact CZ-CB 4.39Å; Q360-Y363 WeakPolarHBondContact O-CB 3.04Å; Q360-Y363 PolarHBondContact O-N 3.23Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.32Å; Q360-E364 PolarHBondContact NE2-OE1 2.95Å; Q360-E364 WeakPolarHBondContact O-CB 3.44Å; Q360-E364 WeakPolarHBondContact O-CG 3.23Å; Q360-E364 PolarHBondContact O-N 3.02Å; Q360-Q370 PolarHBondContact NE2-O 3.12Å |
| 361 | K | 83.4 | Confident | 87.3 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 45% | 0.452 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | -179.1 | -179.4 | 174.4 | 174.4 | -166.6 | 0 | 113.1 | I359 Y363 E364 E365 F409 | I359-K361 VanDerWaalsContact C-N 3.26Å; I359-K361 PolarHBondContact O-N 2.82Å; I359-K361 VanDerWaalsContact O-N 3.09Å; K361-Y363 VanDerWaalsContact C-N 3.34Å; K361-E364 PolarHBondContact O-N 2.89Å; K361-E365 VanDerWaalsContact O-CB 3.26Å; K361-E365 WeakPolarHBondContact O-CB 3.47Å; K361-E365 PolarHBondContact O-N 3.44Å; K361-F409 HydrophobicContact CD-CE2 3.92Å; K361-F409 HydrophobicContact CD-CZ 3.54Å |
| 362 | E | 86.2 | Confident | 87.2 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 178.4 | -176.6 | 178.7 | 164.9 | 0 | 0 | 110.4 | I359 E365 K366 | I359-E362 HydrophobicContact CB-CB 4.16Å; I359-E362 HydrophobicContact CG2-CB 4.28Å; I359-E362 PolarHBondContact O-N 2.78Å; E362-E365 PolarHBondContact O-N 3.36Å; E362-K366 HydrophobicContact CG-CD 3.97Å; E362-K366 HydrophobicContact CG-CG 4.42Å; E362-K366 WeakPolarHBondContact O-CB 3.28Å; E362-K366 WeakPolarHBondContact O-CG 3.21Å; E362-K366 PolarHBondContact O-N 2.78Å; E362-K366 WeakPolarHBondContact OE1-CE 3.49Å; E362-K366 IonicContact OE1-NZ 3.15Å; E362-K366 PolarHBondContact OE1-NZ 3.49Å |
| 363 | Y | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 171.8 | 179.6 | -90.3 | 0 | 0 | 0 | 111.7 | P306 E308 V333 Y335 F358 I359 Q360 K361 E365 T367 R369 N371 | P306-Y363 HydrophobicContact CB-CD2 4.2Å; P306-Y363 HydrophobicContact CB-CE2 3.56Å; P306-Y363 HydrophobicContact CG-CE2 3.83Å; E308-Y363 HydrophobicContact CG-CE2 4.36Å; E308-Y363 PolarHBondContact OE1-OH 2.65Å; V333-Y363 HydrophobicContact CG1-CD2 4.36Å; V333-Y363 HydrophobicContact CG2-CD2 4.35Å; Y335-Y363 WeakPolarHBondContact OH-CA 3.47Å; Y335-Y363 PolarHBondContact OH-N 2.76Å; F358-Y363 HydrophobicContact CD2-CD2 4.43Å; F358-Y363 HydrophobicContact CE2-CD1 4.25Å; F358-Y363 AromaticContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CD2 3.86Å; F358-Y363 HydrophobicContact CE2-CE2 4.4Å; F358-Y363 AromaticContact CE2-CG 3.78Å; F358-Y363 HydrophobicContact CE2-CG 3.78Å; F358-Y363 HydrophobicContact CZ-CG 4.44Å; I359-Y363 PolarHBondContact O-N 3.07Å; Q360-Y363 WeakPolarHBondContact O-CB 3.04Å; Q360-Y363 PolarHBondContact O-N 3.23Å; K361-Y363 VanDerWaalsContact C-N 3.34Å; Y363-E365 PolarHBondContact O-N 2.85Å; Y363-T367 HydrophobicContact CD2-CG2 4.46Å; Y363-T367 WeakPolarHBondContact O-CB 3.43Å; Y363-T367 WeakPolarHBondContact O-CG2 3.31Å; Y363-T367 PolarHBondContact O-N 3.27Å; Y363-T367 PolarHBondContact O-OG1 3.09Å; Y363-R369 HydrophobicContact CD1-CB 4.49Å; Y363-R369 HydrophobicContact CE1-CB 3.6Å; Y363-R369 PolarHBondContact OH-NE 3.43Å; Y363-R369 VanDerWaalsContact OH-NE 3.1Å; Y363-N371 WeakPolarHBondContact CE1-O 3.23Å; Y363-N371 PolarHBondContact OH-O 2.65Å |
| 364 | E | 87.2 | Confident | 86.7 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 174.8 | -77.1 | 169.2 | -165.1 | 0 | 0 | 112.6 | Q360 K361 K368 R369 | Q360-E364 WeakPolarHBondContact CG-OE1 3.32Å; Q360-E364 PolarHBondContact NE2-OE1 2.95Å; Q360-E364 WeakPolarHBondContact O-CB 3.44Å; Q360-E364 WeakPolarHBondContact O-CG 3.23Å; Q360-E364 PolarHBondContact O-N 3.02Å; K361-E364 PolarHBondContact O-N 2.89Å; E364-K368 WeakPolarHBondContact O-CA 3.36Å; E364-K368 PolarHBondContact O-N 2.64Å; E364-R369 VanDerWaalsContact CG-O 3.27Å; E364-R369 WeakPolarHBondContact CG-O 3.47Å |
| 365 | E | 85.8 | Confident | 86.1 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.2 | -47.6 | -178.7 | -175.9 | 170 | 179.4 | 0 | 0 | 111.8 | K361 E362 Y363 | K361-E365 VanDerWaalsContact O-CB 3.26Å; K361-E365 WeakPolarHBondContact O-CB 3.47Å; K361-E365 PolarHBondContact O-N 3.44Å; E362-E365 PolarHBondContact O-N 3.36Å; Y363-E365 PolarHBondContact O-N 2.85Å |
| 366 | K | 85.1 | Confident | 85.4 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -76.4 | -33.5 | -177.1 | -73 | -179 | 170.5 | 174.5 | 0 | 113.7 | Y335 E362 | Y335-K366 HydrophobicContact CD1-CB 4.19Å; Y335-K366 HydrophobicContact CD1-CD 3.91Å; Y335-K366 HydrophobicContact CD2-CD 3.92Å; Y335-K366 HydrophobicContact CE1-CB 3.94Å; Y335-K366 HydrophobicContact CE1-CD 3.77Å; Y335-K366 HydrophobicContact CE1-CG 4.5Å; Y335-K366 HydrophobicContact CE2-CD 3.78Å; Y335-K366 HydrophobicContact CG-CD 3.98Å; E362-K366 HydrophobicContact CG-CD 3.97Å; E362-K366 HydrophobicContact CG-CG 4.42Å; E362-K366 WeakPolarHBondContact O-CB 3.28Å; E362-K366 WeakPolarHBondContact O-CG 3.21Å; E362-K366 PolarHBondContact O-N 2.78Å; E362-K366 WeakPolarHBondContact OE1-CE 3.49Å; E362-K366 IonicContact OE1-NZ 3.15Å; E362-K366 PolarHBondContact OE1-NZ 3.49Å |
| 367 | T | 85.9 | Confident | 85 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -114 | -11.8 | -171.1 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | P306 Y335 Y363 R369 | P306-T367 HydrophobicContact CB-CG2 3.93Å; P306-T367 HydrophobicContact CG-CG2 3.76Å; Y335-T367 HydrophobicContact CD1-CG2 4.16Å; Y335-T367 HydrophobicContact CE1-CG2 3.9Å; Y363-T367 HydrophobicContact CD2-CG2 4.46Å; Y363-T367 WeakPolarHBondContact O-CB 3.43Å; Y363-T367 WeakPolarHBondContact O-CG2 3.31Å; Y363-T367 PolarHBondContact O-N 3.27Å; Y363-T367 PolarHBondContact O-OG1 3.09Å; T367-R369 PolarHBondContact O-N 2.82Å; T367-R369 WeakPolarHBondContact OG1-CB 3.37Å; T367-R369 PolarHBondContact OG1-N 3.44Å |
| 368 | K | 81.7 | Confident | 84.6 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | trans | 53.8 | 14.3 | -169.3 | -58.7 | -55.3 | -175.8 | -170.1 | 0 | 115 | Y302 E364 | Y302-K368 HydrophobicContact CD1-CB 4.11Å; Y302-K368 HydrophobicContact CD1-CG 3.49Å; Y302-K368 VanDerWaalsContact CD1-CG 3.49Å; Y302-K368 HydrophobicContact CE1-CB 3.69Å; Y302-K368 HydrophobicContact CE1-CD 4.49Å; Y302-K368 HydrophobicContact CE1-CG 3.17Å; Y302-K368 HydrophobicContact CE2-CB 4.29Å; Y302-K368 HydrophobicContact CG-CG 4.36Å; E364-K368 WeakPolarHBondContact O-CA 3.36Å; E364-K368 PolarHBondContact O-N 2.64Å | ||
| 369 | R | 83.2 | Confident | 83.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | trans | -85.8 | 129.6 | 173.6 | -65.6 | 178.8 | 56.3 | 63.9 | 0.8 | 109.7 | E201 Y363 E364 T367 L373 | E201-R369 IonicContact OE1-NH1 3.58Å; E201-R369 PolarHBondContact OE1-NH1 3.36Å; E201-R369 IonicContact OE2-CZ 2.62Å; E201-R369 VanDerWaalsContact OE2-CZ 3.3Å; E201-R369 IonicContact OE2-NE 3.6Å; E201-R369 IonicContact OE2-NH1 3.13Å; E201-R369 PolarHBondContact OE2-NH1 2.73Å; Y363-R369 HydrophobicContact CD1-CB 4.49Å; Y363-R369 HydrophobicContact CE1-CB 3.6Å; Y363-R369 PolarHBondContact OH-NE 3.43Å; Y363-R369 VanDerWaalsContact OH-NE 3.1Å; E364-R369 VanDerWaalsContact CG-O 3.27Å; E364-R369 WeakPolarHBondContact CG-O 3.47Å; T367-R369 PolarHBondContact O-N 2.82Å; T367-R369 WeakPolarHBondContact OG1-CB 3.37Å; T367-R369 PolarHBondContact OG1-N 3.44Å; R369-L373 VanDerWaalsContact NH2-CD2 3.29Å | ||
| 370 | Q | 76.6 | Confident | 83.2 | Confident | 151 Ų | 151 | 69.1 Ų | 69.1 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -75.9 | -26 | -178.7 | -66.5 | -171.3 | 2.1 | 0 | 0 | 113.6 | Q360 | Q360-Q370 PolarHBondContact NE2-O 3.12Š|
| 371 | N | 81.5 | Confident | 82.5 | Confident | 117 Ų | 117 | 66.9 Ų | 66.9 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -133.5 | 146.2 | -173.7 | -66 | -45.7 | 0 | 0 | 0 | 111.6 | Y363 | Y363-N371 WeakPolarHBondContact CE1-O 3.23Å; Y363-N371 PolarHBondContact OH-O 2.65Å |
| 372 | S | 87.2 | Confident | 81.3 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | trans | -66.9 | 149.6 | 167.3 | 161.8 | 0 | 0 | 0 | 0 | 110.8 | E308 I374 | E308-S372 WeakPolarHBondContact OE1-CA 3.35Å; E308-S372 WeakPolarHBondContact OE2-CB 3.34Å; E308-S372 PolarHBondContact OE2-OG 3.45Å; S372-I374 PolarHBondContact O-N 3.12Å; S372-I374 WeakPolarHBondContact OG-CB 2.8Å; S372-I374 WeakPolarHBondContact OG-CG1 3.35Å; S372-I374 PolarHBondContact OG-N 3.09Å; S372-I374 VanDerWaalsContact OG-N 3.08Å | ||
| 373 | L | 85.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.5 | 174.4 | -66.5 | 175.2 | 0 | 0 | 0 | 113.5 | A190 L191 P192 A203 E308 R369 R375 D376 V377 | A190-L373 HydrophobicContact CB-CD1 4.47Å; L191-L373 VanDerWaalsContact C-CD1 3.49Å; P192-L373 HydrophobicContact CB-CD1 4.1Å; P192-L373 HydrophobicContact CB-CD2 4.4Å; P192-L373 HydrophobicContact CG-CD1 4.26Å; A203-L373 HydrophobicContact CB-CD1 4.41Å; A203-L373 HydrophobicContact CB-CD2 4.23Å; E308-L373 WeakPolarHBondContact OE1-CB 3.06Å; E308-L373 PolarHBondContact OE1-N 3.49Å; R369-L373 VanDerWaalsContact NH2-CD2 3.29Å; L373-R375 VanDerWaalsContact C-N 3.28Å; L373-R375 PolarHBondContact O-N 2.76Å; L373-R375 VanDerWaalsContact O-N 3.15Å; L373-D376 PolarHBondContact O-N 3.01Å; L373-V377 HydrophobicContact CB-CG2 4.06Å; L373-V377 VanDerWaalsContact O-CG2 3.23Å; L373-V377 WeakPolarHBondContact O-CG2 3.44Å; L373-V377 PolarHBondContact O-N 2.81Å |
| 374 | I | 85.3 | Confident | 77.3 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -51.2 | -45.7 | -172.1 | -78.7 | -173.7 | 0 | 0 | 0 | 112.7 | F310 Y328 H331 S372 D376 V377 L378 | F310-I374 HydrophobicContact CB-CD1 4.19Å; F310-I374 HydrophobicContact CD1-CD1 3.97Å; F310-I374 HydrophobicContact CD1-CG1 3.67Å; F310-I374 HydrophobicContact CE1-CG1 3.76Å; F310-I374 HydrophobicContact CG-CD1 4Å; F310-I374 HydrophobicContact CG-CG1 4.11Å; F310-I374 HydrophobicContact CZ-CG1 4.23Å; Y328-I374 HydrophobicContact CD1-CG2 3.77Å; Y328-I374 HydrophobicContact CD2-CD1 3.68Å; Y328-I374 HydrophobicContact CE1-CD1 4.49Å; Y328-I374 HydrophobicContact CE1-CG2 3.69Å; Y328-I374 HydrophobicContact CE2-CD1 3.46Å; Y328-I374 VanDerWaalsContact CE2-CD1 3.46Å; Y328-I374 HydrophobicContact CE2-CG2 4.44Å; Y328-I374 HydrophobicContact CG-CD1 4.3Å; Y328-I374 HydrophobicContact CG-CG2 4.19Å; H331-I374 HydrophobicContact CB-CD1 4.22Å; H331-I374 WeakPolarHBondContact CE1-CD1 3.04Å; H331-I374 VanDerWaalsContact CG-CD1 3.49Å; H331-I374 VanDerWaalsContact ND1-CD1 3.34Å; H331-I374 WeakPolarHBondContact ND1-CD1 3.48Å; H331-I374 WeakPolarHBondContact NE2-CD1 3.25Å; S372-I374 PolarHBondContact O-N 3.12Å; S372-I374 WeakPolarHBondContact OG-CB 2.8Å; S372-I374 WeakPolarHBondContact OG-CG1 3.35Å; S372-I374 PolarHBondContact OG-N 3.09Å; S372-I374 VanDerWaalsContact OG-N 3.08Å; I374-D376 VanDerWaalsContact C-N 3.34Å; I374-D376 PolarHBondContact O-N 2.93Å; I374-V377 PolarHBondContact O-N 3.17Å; I374-L378 HydrophobicContact CG2-CD1 3.49Å; I374-L378 VanDerWaalsContact CG2-CD1 3.49Å; I374-L378 HydrophobicContact CG2-CG 4Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.3Å; I374-L378 PolarHBondContact O-N 3.31Å |
| 375 | R | 80.1 | Confident | 74.6 | Confident | 179 Ų | 179 | 73.4 Ų | 73.4 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | -177 | -166.7 | 178.6 | -171.8 | 178.8 | 2.1 | 111.8 | L373 N379 | L373-R375 VanDerWaalsContact C-N 3.28Å; L373-R375 PolarHBondContact O-N 2.76Å; L373-R375 VanDerWaalsContact O-N 3.15Å; R375-N379 VanDerWaalsContact O-CG 3.32Å; R375-N379 PolarHBondContact O-N 3.41Å; R375-N379 PolarHBondContact O-ND2 2.95Å |
| 376 | D | 79.6 | Confident | 71.6 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 179 | -61 | -25.4 | 0 | 0 | 0 | 111.1 | L373 I374 K380 | L373-D376 PolarHBondContact O-N 3.01Å; I374-D376 VanDerWaalsContact C-N 3.34Å; I374-D376 PolarHBondContact O-N 2.93Å; D376-K380 WeakPolarHBondContact O-CG 3.06Å; D376-K380 PolarHBondContact O-N 3.18Å |
| 377 | V | 84.2 | Confident | 68.7 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.7 | -44.6 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | V188 A190 A203 I205 F310 L373 I374 N379 K380 V381 | V188-V377 HydrophobicContact CG1-CG1 3.84Å; A190-V377 HydrophobicContact CB-CG2 3.71Å; A203-V377 HydrophobicContact CB-CG2 4.08Å; I205-V377 HydrophobicContact CD1-CB 4.25Å; I205-V377 HydrophobicContact CD1-CG1 3.88Å; I205-V377 HydrophobicContact CD1-CG2 3.97Å; I205-V377 HydrophobicContact CG1-CG1 3.97Å; I205-V377 HydrophobicContact CG1-CG2 3.91Å; I205-V377 HydrophobicContact CG2-CG1 3.88Å; F310-V377 HydrophobicContact CE1-CG1 4.31Å; F310-V377 HydrophobicContact CZ-CB 4Å; F310-V377 HydrophobicContact CZ-CG1 3.61Å; L373-V377 HydrophobicContact CB-CG2 4.06Å; L373-V377 VanDerWaalsContact O-CG2 3.23Å; L373-V377 WeakPolarHBondContact O-CG2 3.44Å; L373-V377 PolarHBondContact O-N 2.81Å; I374-V377 PolarHBondContact O-N 3.17Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 2.97Å; V377-K380 PolarHBondContact O-N 3.02Å; V377-V381 HydrophobicContact CG1-CG2 3.9Å; V377-V381 WeakPolarHBondContact O-CG2 3.21Å; V377-V381 PolarHBondContact O-N 3.35Å |
| 378 | L | 82.6 | Confident | 65.6 | Low | 15 Ų | 15 | 81.7 Ų | 81.7 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 178.1 | -77.5 | 175.1 | 0 | 0 | 0 | 111.8 | F310 I312 P326 Y328 I374 K380 A382 | F310-L378 HydrophobicContact CE2-CD2 4.13Å; F310-L378 HydrophobicContact CE2-CG 4.5Å; I312-L378 HydrophobicContact CD1-CD2 3.88Å; I312-L378 HydrophobicContact CG1-CD2 4.05Å; P326-L378 HydrophobicContact CB-CD2 4.18Å; P326-L378 HydrophobicContact CG-CB 3.89Å; P326-L378 HydrophobicContact CG-CD1 4.41Å; P326-L378 HydrophobicContact CG-CD2 4.15Å; P326-L378 HydrophobicContact CG-CG 4.37Å; Y328-L378 HydrophobicContact CD1-CD1 3.84Å; I374-L378 HydrophobicContact CG2-CD1 3.49Å; I374-L378 VanDerWaalsContact CG2-CD1 3.49Å; I374-L378 HydrophobicContact CG2-CG 4Å; I374-L378 VanDerWaalsContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 VanDerWaalsContact O-CG 3.24Å; I374-L378 WeakPolarHBondContact O-CG 3.3Å; I374-L378 PolarHBondContact O-N 3.31Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.41Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 3.37Å; L378-A382 PolarHBondContact O-N 3.25Å |
| 379 | N | 74.1 | Confident | 62.8 | Low | 98 Ų | 98 | 83.8 Ų | 83.8 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 174.4 | -72.9 | -21.4 | 0 | 0 | 0 | 112 | R375 V377 V383 | R375-N379 VanDerWaalsContact O-CG 3.32Å; R375-N379 PolarHBondContact O-N 3.41Å; R375-N379 PolarHBondContact O-ND2 2.95Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 2.97Å; N379-V383 VanDerWaalsContact O-CG2 3.31Å; N379-V383 WeakPolarHBondContact O-CG2 3.48Å |
| 380 | K | 75.8 | Confident | 59.8 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 179.2 | -72.6 | 179.3 | 179.3 | -177 | 0 | 113.2 | I205 D376 V377 L378 | I205-K380 HydrophobicContact CD1-CB 4.1Å; I205-K380 HydrophobicContact CD1-CD 3.79Å; D376-K380 WeakPolarHBondContact O-CG 3.06Å; D376-K380 PolarHBondContact O-N 3.18Å; V377-K380 PolarHBondContact O-N 3.02Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.41Å |
| 381 | V | 71.4 | Confident | 57.1 | Low | 20 Ų | 20 | 90 Ų | 90 | 12% | 0.121 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -73.2 | -36.7 | -178.9 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | I205 I312 V377 V383 Q384 | I205-V381 HydrophobicContact CG2-CG2 4.24Å; I312-V381 HydrophobicContact CD1-CB 4.32Å; I312-V381 HydrophobicContact CD1-CG1 3.82Å; V377-V381 HydrophobicContact CG1-CG2 3.9Å; V377-V381 WeakPolarHBondContact O-CG2 3.21Å; V377-V381 PolarHBondContact O-N 3.35Å; V381-V383 VanDerWaalsContact C-N 3.31Å; V381-V383 PolarHBondContact O-N 2.94Å; V381-Q384 PolarHBondContact O-N 2.84Å |
| 382 | A | 58.5 | Low | 54.4 | Low | 55 Ų | 55 | 91.8 Ų | 91.8 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L378 Q384 G385 | L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 3.37Å; L378-A382 PolarHBondContact O-N 3.25Å; A382-Q384 VanDerWaalsContact C-N 3.25Å; A382-Q384 PolarHBondContact O-N 3.38Å; A382-G385 PolarHBondContact O-N 3.27Å |
| 383 | V | 46.7 | Very low | 51.3 | Low | 125 Ų | 125 | 99.9 Ų | 99.9 | 76% | 0.758 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -27.3 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | N379 V381 | N379-V383 VanDerWaalsContact O-CG2 3.31Å; N379-V383 WeakPolarHBondContact O-CG2 3.48Å; V381-V383 VanDerWaalsContact C-N 3.31Å; V381-V383 PolarHBondContact O-N 2.94Å |
| 384 | Q | 44.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 109.1 Ų | 109.1 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -9.6 | -179.4 | -65.2 | -179.9 | -7.8 | 0 | 0 | 113.7 | N207 V381 A382 | N207-Q384 PolarHBondContact ND2-OE1 3.15Å; N207-Q384 VanDerWaalsContact ND2-OE1 3.17Å; V381-Q384 PolarHBondContact O-N 2.84Å; A382-Q384 VanDerWaalsContact C-N 3.25Å; A382-Q384 PolarHBondContact O-N 3.38Å |
| 385 | G | 31.8 | Very low | 45.2 | Very low | 56 Ų | 56 | 118.1 Ų | 118.1 | 58% | 0.577 | 62% | 0.623 | S | S | * | * | trans | -107.1 | 7.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | A382 P387 | A382-G385 PolarHBondContact O-N 3.27Å; G385-P387 WeakPolarHBondContact O-CD 3.49Å | ||
| 386 | A | 22.6 | Very low | 42.5 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | trans | -102.6 | 97.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 387 | P | 24.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | trans | -75 | 132.1 | 161.4 | 29.8 | -31.2 | 0 | 0 | 0 | 110.2 | G385 L389 | G385-P387 WeakPolarHBondContact O-CD 3.49Å; P387-L389 PolarHBondContact O-N 3.36Å; P387-L389 VanDerWaalsContact O-N 3.15Å | ||
| 388 | N | 20.6 | Very low | 36.8 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -43.9 | 111.5 | 178.1 | -75.3 | -39.5 | 0 | 0 | 0 | 113.1 | ||||
| 389 | L | 22.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 72% | 0.723 | S | S | * | * | trans | -136.8 | 127.4 | 158.4 | -133 | 87.5 | 0 | 0 | 0 | 110.6 | P387 | P387-L389 PolarHBondContact O-N 3.36Å; P387-L389 VanDerWaalsContact O-N 3.15Å | ||
| 390 | Q | 21.1 | Very low | 31.6 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -62.7 | 145 | -172.4 | -79.6 | 171.7 | -15.7 | 0 | 0 | 113.4 | ||||
| 391 | T | 20.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -68.4 | 139.6 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | D | 23.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -141 | 133.2 | 148.8 | -111.5 | -26.2 | 0 | 0 | 0 | 112.7 | ||||
| 393 | K | 21.3 | Very low | 25.8 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -77.9 | 136.3 | -168.3 | -63.8 | 168.3 | 177.9 | 171.9 | 0 | 111.2 | ||||
| 394 | K | 22.3 | Very low | 24.8 | Very low | 196 Ų | 196 | 155.1 Ų | 155.1 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -170.2 | 136.6 | 131.6 | -104.3 | 163.9 | -172.7 | -177.8 | 0 | 113.5 | ||||
| 395 | K | 20.8 | Very low | 24.1 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -69.9 | 146.4 | -179.9 | -68.8 | 172.1 | 171.4 | 179.9 | 0 | 111.5 | ||||
| 396 | T | 23.5 | Very low | 24 | Very low | 126 Ų | 126 | 167 Ų | 167 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -172 | 147.7 | 148.2 | 12.5 | 0 | 0 | 0 | 0 | 108.7 | K321 | K321-T396 PolarHBondContact NZ-O 2.98Š| ||
| 397 | Q | 23.9 | Very low | 24.8 | Very low | 187 Ų | 187 | 166.6 Ų | 166.6 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -108 | 152.8 | -147.8 | -144.5 | 168.6 | 10.1 | 0 | 0 | 111.4 | ||||
| 398 | L | 21.9 | Very low | 25.7 | Very low | 160 Ų | 160 | 166.2 Ų | 166.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -34.9 | 144.7 | 175.6 | -78.6 | 97.8 | 0 | 0 | 0 | 118.3 | ||||
| 399 | N | 20.6 | Very low | 27.2 | Very low | 159 Ų | 159 | 164.1 Ų | 164.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | -164.6 | -177.4 | 129.4 | -101.9 | -22.2 | 0 | 0 | 0 | 109.8 | |||||
| 400 | V | 25.4 | Very low | 29.2 | Very low | 136 Ų | 136 | 158.9 Ų | 158.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 91.2 | 141.5 | 176.6 | -131 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 401 | P | 30.1 | Very low | 31.8 | Very low | 104 Ų | 104 | 150 Ų | 150 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | -132.5 | 174.5 | -91.1 | 31.8 | -8.1 | 0 | 0 | 0 | 114.1 | H403 | P401-H403 PolarHBondContact O-N 3.45Š| |||
| 402 | K | 22.5 | Very low | 34.5 | Very low | 212 Ų | 212 | 146.6 Ų | 146.6 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 113.2 | -175.4 | -68 | 172.2 | 177.4 | 172.9 | 0 | 113 | ||||
| 403 | H | 31.8 | Very low | 37.2 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 135.7 | 169.4 | -87.3 | -77.3 | 0 | 0 | 0 | 112.4 | P401 | P401-H403 PolarHBondContact O-N 3.45Š|
| 404 | E | 24.9 | Very low | 40.2 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.2 | -178.9 | -68.7 | 169.3 | 141.6 | 0 | 0 | 113.1 | ||
| 405 | R | 30.5 | Very low | 43.5 | Very low | 232 Ų | 232 | 127.6 Ų | 127.6 | 88% | 0.875 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 133 | -175.2 | -73.4 | 176.7 | 174.6 | 172.4 | -2.7 | 111.7 | T407 | R405-T407 PolarHBondContact O-N 3.07Å; R405-T407 VanDerWaalsContact O-N 3.14Å |
| 406 | K | 28.6 | Very low | 46.6 | Very low | 210 Ų | 210 | 125.4 Ų | 125.4 | 91% | 0.913 | 63% | 0.634 | S | S | * | * | trans | -62.2 | 100.7 | 171.3 | -64 | 177.4 | 178.6 | -179.4 | 0 | 111 | ||||
| 407 | T | 39.9 | Very low | 49.7 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | trans | -94.4 | -9.3 | -174 | 48 | 0 | 0 | 0 | 0 | 115.6 | R405 F409 T410 F490 | R405-T407 PolarHBondContact O-N 3.07Å; R405-T407 VanDerWaalsContact O-N 3.14Å; T407-F409 PolarHBondContact O-N 2.81Å; T407-T410 PolarHBondContact O-OG1 3.43Å; T407-F490 HydrophobicContact CG2-CE1 4.14Å; T407-F490 HydrophobicContact CG2-CZ 4.35Å; T407-F490 WeakPolarHBondContact O-CZ 3.36Å | ||
| 408 | S | 44.1 | Very low | 53.1 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 77% | 0.769 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.7 | -33.2 | -175.4 | 172.9 | 0 | 0 | 0 | 0 | 114.6 | T410 | S408-T410 PolarHBondContact O-N 3.18Å |
| 409 | F | 51.8 | Low | 56.4 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74 | -29.3 | -169.3 | -175.4 | -102.9 | 0 | 0 | 0 | 114.8 | K361 T407 | K361-F409 HydrophobicContact CD-CE2 3.92Å; K361-F409 HydrophobicContact CD-CZ 3.54Å; T407-F409 PolarHBondContact O-N 2.81Å |
| 410 | T | 65.1 | Low | 59.7 | Low | 61 Ų | 61 | 105.7 Ų | 105.7 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.6 | -40.3 | -178 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | T407 S408 A412 K413 A414 E487 | T407-T410 PolarHBondContact O-OG1 3.43Å; S408-T410 PolarHBondContact O-N 3.18Å; T410-A412 PolarHBondContact O-N 3.43Å; T410-K413 PolarHBondContact O-N 3.44Å; T410-A414 PolarHBondContact O-N 2.94Å; T410-E487 PolarHBondContact OG1-O 3.37Å |
| 411 | G | 74.2 | Confident | 62.9 | Low | 8 Ų | 8 | 100.2 Ų | 100.2 | 8% | 0.082 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K413 A414 V415 E487 | G411-K413 VanDerWaalsContact C-N 3.29Å; G411-K413 PolarHBondContact O-N 3.27Å; G411-A414 WeakPolarHBondContact O-CB 3.44Å; G411-A414 PolarHBondContact O-N 3.02Å; G411-V415 WeakPolarHBondContact O-CG2 3.31Å; G411-V415 PolarHBondContact O-N 3.11Å; G411-V415 VanDerWaalsContact O-N 3.12Å; G411-E487 WeakPolarHBondContact CA-O 3.2Å; G411-E487 PolarHBondContact N-O 3.02Å |
| 412 | A | 77.5 | Confident | 65.8 | Low | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T410 V415 K416 | T410-A412 PolarHBondContact O-N 3.43Å; A412-V415 PolarHBondContact O-N 3.42Å; A412-K416 PolarHBondContact O-N 3.42Å |
| 413 | K | 79.7 | Confident | 68.9 | Low | 132 Ų | 132 | 86.8 Ų | 86.8 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.5 | -41.3 | 176 | -170.8 | 179.5 | -179.2 | 179.7 | 0 | 111.3 | T410 G411 V415 K416 E417 | T410-K413 PolarHBondContact O-N 3.44Å; G411-K413 VanDerWaalsContact C-N 3.29Å; G411-K413 PolarHBondContact O-N 3.27Å; K413-V415 VanDerWaalsContact C-N 3.32Å; K413-V415 PolarHBondContact O-N 2.99Å; K413-K416 PolarHBondContact O-N 2.91Å; K413-E417 PolarHBondContact O-N 3.35Å |
| 414 | A | 86.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T410 G411 E417 Y418 K483 I484 E487 | T410-A414 PolarHBondContact O-N 2.94Å; G411-A414 WeakPolarHBondContact O-CB 3.44Å; G411-A414 PolarHBondContact O-N 3.02Å; A414-E417 PolarHBondContact O-N 3.05Å; A414-Y418 PolarHBondContact O-N 3.25Å; A414-K483 HydrophobicContact CB-CB 4.39Å; A414-K483 HydrophobicContact CB-CD 4.35Å; A414-K483 HydrophobicContact CB-CG 3.94Å; A414-I484 HydrophobicContact CB-CG1 3.92Å; A414-E487 HydrophobicContact CB-CB 4.14Å |
| 415 | V | 89.7 | Confident | 74.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | G411 A412 K413 E417 Y418 H419 K488 Y511 E515 | G411-V415 WeakPolarHBondContact O-CG2 3.31Å; G411-V415 PolarHBondContact O-N 3.11Å; G411-V415 VanDerWaalsContact O-N 3.12Å; A412-V415 PolarHBondContact O-N 3.42Å; K413-V415 VanDerWaalsContact C-N 3.32Å; K413-V415 PolarHBondContact O-N 2.99Å; V415-E417 VanDerWaalsContact C-N 3.31Å; V415-E417 PolarHBondContact O-N 3.17Å; V415-Y418 WeakPolarHBondContact O-CB 3.47Å; V415-Y418 PolarHBondContact O-N 2.88Å; V415-H419 VanDerWaalsContact CG1-CE1 3.46Å; V415-H419 WeakPolarHBondContact CG1-CE1 3.45Å; V415-H419 PolarHBondContact O-N 3.42Å; V415-H419 PolarHBondContact O-ND1 2.83Å; V415-K488 HydrophobicContact CG2-CD 4.1Å; V415-Y511 WeakPolarHBondContact CG2-OH 3.47Å; V415-E515 HydrophobicContact CG1-CG 4.22Å; V415-E515 WeakPolarHBondContact CG1-OE2 3.43Å |
| 416 | K | 87.7 | Confident | 77.6 | Confident | 151 Ų | 151 | 61.3 Ų | 61.3 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 174 | -77.2 | -172.3 | 178 | -170.6 | 0 | 112.4 | A412 K413 H419 K420 | A412-K416 PolarHBondContact O-N 3.42Å; K413-K416 PolarHBondContact O-N 2.91Å; K416-H419 PolarHBondContact O-N 3.37Å; K416-K420 PolarHBondContact O-N 3.09Å; K416-K420 VanDerWaalsContact O-N 3.09Å |
| 417 | E | 88.5 | Confident | 80.4 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.4 | -172.7 | 58.7 | -142.4 | 0 | 0 | 111.3 | K413 A414 V415 H419 K420 Q421 | K413-E417 PolarHBondContact O-N 3.35Å; A414-E417 PolarHBondContact O-N 3.05Å; V415-E417 VanDerWaalsContact C-N 3.31Å; V415-E417 PolarHBondContact O-N 3.17Å; E417-H419 PolarHBondContact O-N 3.1Å; E417-K420 WeakPolarHBondContact O-CB 3.23Å; E417-K420 PolarHBondContact O-N 3.36Å; E417-K420 VanDerWaalsContact O-N 3.17Å; E417-Q421 WeakPolarHBondContact O-CG 3.38Å; E417-Q421 PolarHBondContact O-N 3.49Å; E417-Q421 PolarHBondContact OE1-NE2 3.48Å |
| 418 | Y | 94 | Very high | 82.7 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175 | -177.4 | -117.4 | 0 | 0 | 0 | 112.4 | A414 V415 K420 Q421 I422 L477 A480 V481 I484 L512 E515 M516 | A414-Y418 PolarHBondContact O-N 3.25Å; V415-Y418 WeakPolarHBondContact O-CB 3.47Å; V415-Y418 PolarHBondContact O-N 2.88Å; Y418-K420 VanDerWaalsContact C-N 3.29Å; Y418-K420 PolarHBondContact O-N 3.3Å; Y418-Q421 PolarHBondContact O-N 3.36Å; Y418-Q421 VanDerWaalsContact O-N 3.14Å; Y418-I422 HydrophobicContact CD1-CD1 3.46Å; Y418-I422 VanDerWaalsContact CD1-CD1 3.46Å; Y418-I422 HydrophobicContact CD2-CD1 4.27Å; Y418-I422 HydrophobicContact CE1-CD1 3.25Å; Y418-I422 HydrophobicContact CE1-CG1 4.25Å; Y418-I422 HydrophobicContact CE2-CD1 4.08Å; Y418-I422 HydrophobicContact CE2-CG1 4.26Å; Y418-I422 HydrophobicContact CG-CD1 3.97Å; Y418-I422 WeakPolarHBondContact O-CD1 3.37Å; Y418-I422 WeakPolarHBondContact O-CG1 3.31Å; Y418-I422 PolarHBondContact O-N 3.48Å; Y418-L477 HydrophobicContact CE2-CD2 4.17Å; Y418-A480 HydrophobicContact CD2-CB 3.93Å; Y418-V481 HydrophobicContact CD2-CG2 4.34Å; Y418-V481 HydrophobicContact CE2-CG2 3.87Å; Y418-I484 HydrophobicContact CD1-CD1 3.83Å; Y418-I484 HydrophobicContact CD2-CD1 4.2Å; Y418-I484 HydrophobicContact CG-CD1 3.59Å; Y418-L512 HydrophobicContact CD1-CD2 4.45Å; Y418-L512 HydrophobicContact CE1-CD2 4Å; Y418-L512 WeakPolarHBondContact CE1-O 3.23Å; Y418-L512 HydrophobicContact CE2-CD2 4.27Å; Y418-L512 PolarHBondContact OH-O 2.84Å; Y418-E515 HydrophobicContact CD1-CB 4.07Å; Y418-E515 HydrophobicContact CE1-CB 4.09Å; Y418-M516 HydrophobicContact CE1-CB 4.49Å |
| 419 | H | 92.7 | Very high | 84.9 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 173.3 | -68.7 | 145.2 | 0 | 0 | 0 | 113 | V415 K416 E417 I422 A423 E515 G519 | V415-H419 VanDerWaalsContact CG1-CE1 3.46Å; V415-H419 WeakPolarHBondContact CG1-CE1 3.45Å; V415-H419 PolarHBondContact O-N 3.42Å; V415-H419 PolarHBondContact O-ND1 2.83Å; K416-H419 PolarHBondContact O-N 3.37Å; E417-H419 PolarHBondContact O-N 3.1Å; H419-I422 PolarHBondContact O-N 2.91Å; H419-A423 WeakPolarHBondContact O-CB 3.5Å; H419-A423 PolarHBondContact O-N 3.35Å; H419-E515 PolarHBondContact CD2-O 2.9Å; H419-E515 IonicContact CE1-OE2 3.11Å; H419-E515 PolarHBondContact CE1-OE2 3.32Å; H419-E515 PolarHBondContact NE2-O 2.99Å; H419-E515 IonicContact NE2-OE2 3.85Å; H419-E515 PolarHBondContact NE2-OE2 2.97Å; H419-E515 VanDerWaalsContact NE2-OE2 3.11Å; H419-G519 VanDerWaalsContact CD2-CA 3.47Å; H419-G519 WeakPolarHBondContact CD2-CA 3.26Å |
| 420 | K | 89.8 | Confident | 86.5 | Confident | 116 Ų | 116 | 51.7 Ų | 51.7 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.4 | -174.9 | -174.8 | 175.5 | -173.4 | 0 | 111.3 | K416 E417 Y418 I422 A423 E424 | K416-K420 PolarHBondContact O-N 3.09Å; K416-K420 VanDerWaalsContact O-N 3.09Å; E417-K420 WeakPolarHBondContact O-CB 3.23Å; E417-K420 PolarHBondContact O-N 3.36Å; E417-K420 VanDerWaalsContact O-N 3.17Å; Y418-K420 VanDerWaalsContact C-N 3.29Å; Y418-K420 PolarHBondContact O-N 3.3Å; K420-I422 PolarHBondContact O-N 2.93Å; K420-A423 PolarHBondContact O-N 3.44Å; K420-E424 VanDerWaalsContact CE-OE1 3.25Å; K420-E424 WeakPolarHBondContact CE-OE1 3.44Å; K420-E424 PolarHBondContact O-N 2.88Å |
| 421 | Q | 91 | Very high | 87.6 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.4 | -61 | -52.7 | -34.6 | 0 | 0 | 112.3 | E417 Y418 E424 V425 R476 L477 A480 | E417-Q421 WeakPolarHBondContact O-CG 3.38Å; E417-Q421 PolarHBondContact O-N 3.49Å; E417-Q421 PolarHBondContact OE1-NE2 3.48Å; Y418-Q421 PolarHBondContact O-N 3.36Å; Y418-Q421 VanDerWaalsContact O-N 3.14Å; Q421-E424 PolarHBondContact O-N 2.96Å; Q421-V425 WeakPolarHBondContact O-CG2 3.23Å; Q421-V425 PolarHBondContact O-N 3.26Å; Q421-R476 VanDerWaalsContact OE1-NH2 3.17Å; Q421-L477 HydrophobicContact CB-CD2 4.08Å; Q421-A480 HydrophobicContact CB-CB 4.5Å; Q421-A480 HydrophobicContact CG-CB 4.06Å |
| 422 | I | 92.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.1 | -69.9 | 156.9 | 0 | 0 | 0 | 110.9 | Y418 H419 K420 E424 V425 A426 L477 M516 L520 | Y418-I422 HydrophobicContact CD1-CD1 3.46Å; Y418-I422 VanDerWaalsContact CD1-CD1 3.46Å; Y418-I422 HydrophobicContact CD2-CD1 4.27Å; Y418-I422 HydrophobicContact CE1-CD1 3.25Å; Y418-I422 HydrophobicContact CE1-CG1 4.25Å; Y418-I422 HydrophobicContact CE2-CD1 4.08Å; Y418-I422 HydrophobicContact CE2-CG1 4.26Å; Y418-I422 HydrophobicContact CG-CD1 3.97Å; Y418-I422 WeakPolarHBondContact O-CD1 3.37Å; Y418-I422 WeakPolarHBondContact O-CG1 3.31Å; Y418-I422 PolarHBondContact O-N 3.48Å; H419-I422 PolarHBondContact O-N 2.91Å; K420-I422 PolarHBondContact O-N 2.93Å; I422-E424 VanDerWaalsContact C-N 3.34Å; I422-E424 PolarHBondContact O-N 3.27Å; I422-V425 PolarHBondContact O-N 3.4Å; I422-A426 WeakPolarHBondContact O-CB 3.32Å; I422-A426 PolarHBondContact O-N 3.3Å; I422-L477 HydrophobicContact CG1-CD2 4.23Å; I422-M516 HydrophobicContact CD1-CB 3.94Å; I422-M516 HydrophobicContact CD1-CG 4.08Å; I422-M516 HydrophobicContact CG1-CG 4.27Å; I422-M516 HydrophobicContact CG2-CG 4.11Å; I422-L520 HydrophobicContact CG2-CD2 3.59Å; I422-L520 HydrophobicContact CG2-CG 3.75Å |
| 423 | A | 87.5 | Confident | 88.7 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H419 K420 N427 V523 | H419-A423 WeakPolarHBondContact O-CB 3.5Å; H419-A423 PolarHBondContact O-N 3.35Å; K420-A423 PolarHBondContact O-N 3.44Å; A423-N427 WeakPolarHBondContact O-CB 3.49Å; A423-N427 PolarHBondContact O-N 3.3Å; A423-N427 PolarHBondContact O-ND2 2.91Å; A423-V523 HydrophobicContact CB-CG2 3.45Å; A423-V523 VanDerWaalsContact CB-CG2 3.45Å |
| 424 | E | 88.6 | Confident | 88.9 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.5 | -70.6 | -177.2 | -152 | 0 | 0 | 111.9 | K420 Q421 I422 A426 N427 Y428 R476 | K420-E424 VanDerWaalsContact CE-OE1 3.25Å; K420-E424 WeakPolarHBondContact CE-OE1 3.44Å; K420-E424 PolarHBondContact O-N 2.88Å; Q421-E424 PolarHBondContact O-N 2.96Å; I422-E424 VanDerWaalsContact C-N 3.34Å; I422-E424 PolarHBondContact O-N 3.27Å; E424-A426 VanDerWaalsContact C-N 3.35Å; E424-A426 PolarHBondContact O-N 2.98Å; E424-N427 PolarHBondContact O-N 3.11Å; E424-Y428 HydrophobicContact CB-CE2 4.17Å; E424-Y428 WeakPolarHBondContact O-CD2 3.33Å; E424-Y428 PolarHBondContact O-N 3.36Å; E424-R476 IonicContact OE1-NH2 2.57Å; E424-R476 IonicContact OE2-CZ 2.78Å; E424-R476 IonicContact OE2-NE 3.98Å; E424-R476 IonicContact OE2-NH1 3.63Å; E424-R476 IonicContact OE2-NH2 3.15Å; E424-R476 PolarHBondContact OE2-NH2 3.34Å |
| 425 | V | 90.6 | Very high | 88.9 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | Q421 I422 N427 Y428 L429 F473 L477 | Q421-V425 WeakPolarHBondContact O-CG2 3.23Å; Q421-V425 PolarHBondContact O-N 3.26Å; I422-V425 PolarHBondContact O-N 3.4Å; V425-N427 VanDerWaalsContact C-N 3.34Å; V425-N427 PolarHBondContact O-N 3.1Å; V425-Y428 PolarHBondContact O-N 3.37Å; V425-L429 HydrophobicContact CG1-CD1 3.94Å; V425-L429 HydrophobicContact CG1-CG 4.35Å; V425-L429 WeakPolarHBondContact O-CB 3.41Å; V425-L429 VanDerWaalsContact O-CG 3.31Å; V425-L429 WeakPolarHBondContact O-CG 3.47Å; V425-L429 PolarHBondContact O-N 2.85Å; V425-F473 HydrophobicContact CG1-CB 4.13Å; V425-F473 HydrophobicContact CG1-CD2 4.41Å; V425-F473 HydrophobicContact CG1-CG 4.15Å; V425-F473 HydrophobicContact CG2-CB 4.34Å; V425-F473 HydrophobicContact CG2-CD1 4.46Å; V425-L477 HydrophobicContact CG2-CD2 4.46Å; V425-L477 HydrophobicContact CG2-CG 4.32Å |
| 426 | A | 89.6 | Confident | 88.7 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I422 E424 L429 L430 L520 | I422-A426 WeakPolarHBondContact O-CB 3.32Å; I422-A426 PolarHBondContact O-N 3.3Å; E424-A426 VanDerWaalsContact C-N 3.35Å; E424-A426 PolarHBondContact O-N 2.98Å; A426-L429 PolarHBondContact O-N 2.71Å; A426-L430 WeakPolarHBondContact O-CB 3.43Å; A426-L430 PolarHBondContact O-N 3.33Å; A426-L520 HydrophobicContact CB-CD2 3.68Å |
| 427 | N | 87.2 | Confident | 88.8 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176 | -75.2 | -27.5 | 0 | 0 | 0 | 112.2 | A423 E424 V425 L430 M431 | A423-N427 WeakPolarHBondContact O-CB 3.49Å; A423-N427 PolarHBondContact O-N 3.3Å; A423-N427 PolarHBondContact O-ND2 2.91Å; E424-N427 PolarHBondContact O-N 3.11Å; V425-N427 VanDerWaalsContact C-N 3.34Å; V425-N427 PolarHBondContact O-N 3.1Å; N427-L430 PolarHBondContact O-N 2.78Å; N427-M431 WeakPolarHBondContact O-CG 3.23Å; N427-M431 PolarHBondContact O-N 2.75Å |
| 428 | Y | 88.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 55.1 Ų | 55.1 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.1 | -71 | -57.9 | 0 | 0 | 0 | 111.7 | E424 V425 L430 M431 E432 F473 | E424-Y428 HydrophobicContact CB-CE2 4.17Å; E424-Y428 WeakPolarHBondContact O-CD2 3.33Å; E424-Y428 PolarHBondContact O-N 3.36Å; V425-Y428 PolarHBondContact O-N 3.37Å; Y428-L430 VanDerWaalsContact C-N 3.32Å; Y428-L430 PolarHBondContact O-N 2.83Å; Y428-M431 PolarHBondContact O-N 2.79Å; Y428-E432 WeakPolarHBondContact O-CG 3.38Å; Y428-E432 PolarHBondContact O-N 3.47Å; Y428-F473 HydrophobicContact CD2-CE1 4.33Å; Y428-F473 HydrophobicContact CG-CE1 4.28Å |
| 429 | L | 89.4 | Confident | 87.7 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 175 | -74.1 | 169.4 | 0 | 0 | 0 | 111.8 | V425 A426 M431 E432 F433 L464 F473 | V425-L429 HydrophobicContact CG1-CD1 3.94Å; V425-L429 HydrophobicContact CG1-CG 4.35Å; V425-L429 WeakPolarHBondContact O-CB 3.41Å; V425-L429 VanDerWaalsContact O-CG 3.31Å; V425-L429 WeakPolarHBondContact O-CG 3.47Å; V425-L429 PolarHBondContact O-N 2.85Å; A426-L429 PolarHBondContact O-N 2.71Å; L429-M431 VanDerWaalsContact C-N 3.33Å; L429-M431 PolarHBondContact O-N 2.9Å; L429-E432 PolarHBondContact O-N 3.45Å; L429-F433 WeakPolarHBondContact O-CB 3.38Å; L429-F433 PolarHBondContact O-N 3.34Å; L429-L464 HydrophobicContact CD2-CD1 3.45Å; L429-L464 VanDerWaalsContact CD2-CD1 3.45Å; L429-F473 HydrophobicContact CD2-CD2 4.23Å; L429-F473 HydrophobicContact CD2-CE2 3.84Å; L429-F473 HydrophobicContact CG-CE2 4.25Å |
| 430 | L | 87 | Confident | 87 | Confident | 72 Ų | 72 | 62 Ų | 62 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 177.2 | -170.8 | 71.1 | 0 | 0 | 0 | 112 | A426 N427 Y428 K434 | A426-L430 WeakPolarHBondContact O-CB 3.43Å; A426-L430 PolarHBondContact O-N 3.33Å; N427-L430 PolarHBondContact O-N 2.78Å; Y428-L430 VanDerWaalsContact C-N 3.32Å; Y428-L430 PolarHBondContact O-N 2.83Å; L430-K434 VanDerWaalsContact O-CG 3.31Å; L430-K434 WeakPolarHBondContact O-CG 3.45Å; L430-K434 PolarHBondContact O-N 3.02Å |
| 431 | M | 87.1 | Confident | 86.3 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 174.8 | -70.7 | 177.1 | 108.5 | 0 | 0 | 111.5 | N427 Y428 L429 F433 K434 V435 | N427-M431 WeakPolarHBondContact O-CG 3.23Å; N427-M431 PolarHBondContact O-N 2.75Å; Y428-M431 PolarHBondContact O-N 2.79Å; L429-M431 VanDerWaalsContact C-N 3.33Å; L429-M431 PolarHBondContact O-N 2.9Å; M431-F433 VanDerWaalsContact C-N 3.34Å; M431-F433 PolarHBondContact O-N 3.34Å; M431-K434 PolarHBondContact O-N 2.66Å; M431-V435 WeakPolarHBondContact O-CG2 3.33Å; M431-V435 PolarHBondContact O-N 3.3Å |
| 432 | E | 86.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.5 | -65.9 | -63.8 | 145.1 | 0 | 0 | 111.8 | Y428 L429 K434 V435 M436 L460 L464 K469 | Y428-E432 WeakPolarHBondContact O-CG 3.38Å; Y428-E432 PolarHBondContact O-N 3.47Å; L429-E432 PolarHBondContact O-N 3.45Å; E432-K434 PolarHBondContact O-N 3.45Å; E432-V435 PolarHBondContact O-N 3.13Å; E432-M436 WeakPolarHBondContact O-CB 3.23Å; E432-M436 PolarHBondContact O-N 2.86Å; E432-L460 HydrophobicContact CB-CD1 4.37Å; E432-L464 HydrophobicContact CB-CD2 4.37Å; E432-L464 HydrophobicContact CG-CD2 4.11Å; E432-K469 HydrophobicContact CG-CD 4.4Å; E432-K469 IonicContact OE1-NZ 2.68Å; E432-K469 PolarHBondContact OE1-NZ 3.19Å; E432-K469 IonicContact OE2-NZ 2.61Å; E432-K469 PolarHBondContact OE2-NZ 3.12Å |
| 433 | F | 88.2 | Confident | 84.2 | Confident | 61 Ų | 61 | 69 Ų | 69 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.3 | -176.5 | -87.8 | 0 | 0 | 0 | 111.5 | L429 M431 V435 M436 F437 I441 L446 M456 L460 | L429-F433 WeakPolarHBondContact O-CB 3.38Å; L429-F433 PolarHBondContact O-N 3.34Å; M431-F433 VanDerWaalsContact C-N 3.34Å; M431-F433 PolarHBondContact O-N 3.34Å; F433-V435 VanDerWaalsContact C-N 3.35Å; F433-V435 PolarHBondContact O-N 3.35Å; F433-M436 PolarHBondContact O-N 2.83Å; F433-F437 HydrophobicContact CD1-CD2 4.24Å; F433-F437 AromaticContact CD2-CD2 3.54Å; F433-F437 HydrophobicContact CD2-CD2 3.54Å; F433-F437 AromaticContact CD2-CE2 3.61Å; F433-F437 HydrophobicContact CD2-CE2 3.61Å; F433-F437 HydrophobicContact CE1-CD2 4.19Å; F433-F437 AromaticContact CE2-CD2 3.49Å; F433-F437 HydrophobicContact CE2-CD2 3.49Å; F433-F437 VanDerWaalsContact CE2-CD2 3.49Å; F433-F437 AromaticContact CE2-CE2 3.62Å; F433-F437 HydrophobicContact CE2-CE2 3.62Å; F433-F437 AromaticContact CG-CD2 3.93Å; F433-F437 HydrophobicContact CG-CD2 3.93Å; F433-F437 HydrophobicContact CG-CE2 4.36Å; F433-F437 AromaticContact CZ-CD2 3.83Å; F433-F437 HydrophobicContact CZ-CD2 3.83Å; F433-F437 HydrophobicContact CZ-CE2 4.38Å; F433-F437 VanDerWaalsContact O-CD2 3.31Å; F433-F437 WeakPolarHBondContact O-CD2 3.34Å; F433-F437 PolarHBondContact O-N 3.41Å; F433-I441 HydrophobicContact CD1-CD1 4.32Å; F433-I441 HydrophobicContact CE1-CD1 4.19Å; F433-L446 HydrophobicContact CZ-CD2 4.4Å; F433-M456 HydrophobicContact CE2-CE 3.94Å; F433-M456 HydrophobicContact CZ-CE 3.7Å; F433-L460 HydrophobicContact CD2-CD2 4.27Å |
| 434 | K | 84.6 | Confident | 83.1 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 178.4 | -77.1 | 178 | 179.1 | -173.5 | 0 | 113 | L430 M431 E432 S438 I441 | L430-K434 VanDerWaalsContact O-CG 3.31Å; L430-K434 WeakPolarHBondContact O-CG 3.45Å; L430-K434 PolarHBondContact O-N 3.02Å; M431-K434 PolarHBondContact O-N 2.66Å; E432-K434 PolarHBondContact O-N 3.45Å; K434-S438 VanDerWaalsContact O-CA 3.3Å; K434-S438 WeakPolarHBondContact O-CA 3.31Å; K434-S438 WeakPolarHBondContact O-CB 3.49Å; K434-S438 PolarHBondContact O-N 3.48Å; K434-S438 VanDerWaalsContact O-N 3.13Å; K434-I441 HydrophobicContact CG-CD1 4.24Å |
| 435 | V | 86.5 | Confident | 82.2 | Confident | 115 Ų | 115 | 79 Ų | 79 | 70% | 0.697 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | M431 E432 F433 | M431-V435 WeakPolarHBondContact O-CG2 3.33Å; M431-V435 PolarHBondContact O-N 3.3Å; E432-V435 PolarHBondContact O-N 3.13Å; F433-V435 VanDerWaalsContact C-N 3.35Å; F433-V435 PolarHBondContact O-N 3.35Å |
| 436 | M | 86 | Confident | 81.3 | Confident | 55 Ų | 55 | 81.8 Ų | 81.8 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | -176.7 | -169 | 171.5 | -73.9 | 0 | 0 | 113.2 | E432 F433 E459 L460 S463 | E432-M436 WeakPolarHBondContact O-CB 3.23Å; E432-M436 PolarHBondContact O-N 2.86Å; F433-M436 PolarHBondContact O-N 2.83Å; M436-E459 HydrophobicContact SD-CG 4.23Å; M436-L460 HydrophobicContact CE-CD1 4.13Å; M436-L460 HydrophobicContact SD-CB 4.24Å; M436-L460 HydrophobicContact SD-CD1 4.08Å; M436-S463 WeakPolarHBondContact CE-OG 3.46Å |
| 437 | F | 88.4 | Confident | 80 | Confident | 6 Ų | 6 | 83.5 Ų | 83.5 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 27.1 | -175 | -53.4 | -66.9 | 0 | 0 | 0 | 112.4 | F433 D439 L440 I441 M456 L460 | F433-F437 HydrophobicContact CD1-CD2 4.24Å; F433-F437 AromaticContact CD2-CD2 3.54Å; F433-F437 HydrophobicContact CD2-CD2 3.54Å; F433-F437 AromaticContact CD2-CE2 3.61Å; F433-F437 HydrophobicContact CD2-CE2 3.61Å; F433-F437 HydrophobicContact CE1-CD2 4.19Å; F433-F437 AromaticContact CE2-CD2 3.49Å; F433-F437 HydrophobicContact CE2-CD2 3.49Å; F433-F437 VanDerWaalsContact CE2-CD2 3.49Å; F433-F437 AromaticContact CE2-CE2 3.62Å; F433-F437 HydrophobicContact CE2-CE2 3.62Å; F433-F437 AromaticContact CG-CD2 3.93Å; F433-F437 HydrophobicContact CG-CD2 3.93Å; F433-F437 HydrophobicContact CG-CE2 4.36Å; F433-F437 AromaticContact CZ-CD2 3.83Å; F433-F437 HydrophobicContact CZ-CD2 3.83Å; F433-F437 HydrophobicContact CZ-CE2 4.38Å; F433-F437 VanDerWaalsContact O-CD2 3.31Å; F433-F437 WeakPolarHBondContact O-CD2 3.34Å; F433-F437 PolarHBondContact O-N 3.41Å; F437-D439 VanDerWaalsContact C-N 3.26Å; F437-D439 PolarHBondContact O-N 3.3Å; F437-L440 HydrophobicContact CB-CB 4.44Å; F437-L440 HydrophobicContact CB-CD1 4.23Å; F437-L440 HydrophobicContact CD1-CD1 3.85Å; F437-L440 HydrophobicContact CG-CD1 4.49Å; F437-L440 PolarHBondContact O-N 3.36Å; F437-L440 VanDerWaalsContact O-N 3.16Å; F437-I441 HydrophobicContact CB-CD1 4.48Å; F437-I441 WeakPolarHBondContact O-CG1 3.24Å; F437-I441 PolarHBondContact O-N 2.93Å; F437-M456 HydrophobicContact CB-CE 4Å; F437-M456 HydrophobicContact CD1-CE 3.52Å; F437-M456 HydrophobicContact CD1-CG 4.5Å; F437-M456 HydrophobicContact CD2-CE 3.61Å; F437-M456 HydrophobicContact CE1-CB 4.13Å; F437-M456 HydrophobicContact CE1-CE 3.81Å; F437-M456 HydrophobicContact CE1-CG 3.97Å; F437-M456 HydrophobicContact CE2-CB 4.37Å; F437-M456 HydrophobicContact CE2-CE 3.9Å; F437-M456 HydrophobicContact CG-CE 3.41Å; F437-M456 VanDerWaalsContact CG-CE 3.41Å; F437-M456 HydrophobicContact CZ-CB 3.81Å; F437-M456 HydrophobicContact CZ-CE 4Å; F437-M456 HydrophobicContact CZ-CG 4.16Å; F437-M456 WeakPolarHBondContact CZ-O 3.24Å; F437-L460 HydrophobicContact CE2-CB 4.47Å |
| 438 | S | 81.9 | Confident | 79.2 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 29% | 0.287 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -53.8 | -43.8 | -177.5 | -179.1 | 0 | 0 | 0 | 0 | 112 | K434 L440 I441 Q442 | K434-S438 VanDerWaalsContact O-CA 3.3Å; K434-S438 WeakPolarHBondContact O-CA 3.31Å; K434-S438 WeakPolarHBondContact O-CB 3.49Å; K434-S438 PolarHBondContact O-N 3.48Å; K434-S438 VanDerWaalsContact O-N 3.13Å; S438-L440 PolarHBondContact O-N 3.4Å; S438-I441 PolarHBondContact O-N 2.88Å; S438-Q442 WeakPolarHBondContact O-CB 3.29Å; S438-Q442 VanDerWaalsContact O-CG 3.24Å; S438-Q442 WeakPolarHBondContact O-CG 3.24Å; S438-Q442 PolarHBondContact O-N 2.94Å; S438-Q442 PolarHBondContact OG-NE2 3.39Å |
| 439 | D | 78.4 | Confident | 78.7 | Confident | 126 Ų | 126 | 86.1 Ų | 86.1 | 67% | 0.674 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | -177.9 | -58.5 | -21.8 | 0 | 0 | 0 | 112.1 | F437 T443 | F437-D439 VanDerWaalsContact C-N 3.26Å; F437-D439 PolarHBondContact O-N 3.3Å; D439-T443 WeakPolarHBondContact O-CG2 3.41Å; D439-T443 PolarHBondContact O-N 2.91Å; D439-T443 VanDerWaalsContact O-N 3.17Å; D439-T443 PolarHBondContact O-OG1 3.14Å |
| 440 | L | 78.1 | Confident | 78.1 | Confident | 56 Ų | 56 | 89.7 Ų | 89.7 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.5 | -38.8 | 177.1 | -76.7 | 140 | 0 | 0 | 0 | 112.4 | F437 S438 T443 D444 Q445 | F437-L440 HydrophobicContact CB-CB 4.44Å; F437-L440 HydrophobicContact CB-CD1 4.23Å; F437-L440 HydrophobicContact CD1-CD1 3.85Å; F437-L440 HydrophobicContact CG-CD1 4.49Å; F437-L440 PolarHBondContact O-N 3.36Å; F437-L440 VanDerWaalsContact O-N 3.16Å; S438-L440 PolarHBondContact O-N 3.4Å; L440-T443 WeakPolarHBondContact CA-OG1 3.47Å; L440-T443 PolarHBondContact O-N 3.26Å; L440-T443 PolarHBondContact O-OG1 2.74Å; L440-D444 PolarHBondContact O-N 2.86Å; L440-D444 VanDerWaalsContact O-N 3.16Å; L440-Q445 WeakPolarHBondContact CD2-O 2.91Å; L440-Q445 PolarHBondContact O-N 2.83Å; L440-Q445 VanDerWaalsContact O-N 3.15Å |
| 441 | I | 75.2 | Confident | 77.8 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 34% | 0.338 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 177.6 | -66 | 165.6 | 0 | 0 | 0 | 110.6 | F433 K434 F437 S438 D444 L446 | F433-I441 HydrophobicContact CD1-CD1 4.32Å; F433-I441 HydrophobicContact CE1-CD1 4.19Å; K434-I441 HydrophobicContact CG-CD1 4.24Å; F437-I441 HydrophobicContact CB-CD1 4.48Å; F437-I441 WeakPolarHBondContact O-CG1 3.24Å; F437-I441 PolarHBondContact O-N 2.93Å; S438-I441 PolarHBondContact O-N 2.88Å; I441-D444 PolarHBondContact O-N 2.86Å; I441-L446 HydrophobicContact CG1-CD1 4.33Å; I441-L446 HydrophobicContact CG1-CD2 4.17Å; I441-L446 HydrophobicContact CG1-CG 4.46Å |
| 442 | Q | 68.6 | Low | 77.4 | Confident | 146 Ų | 146 | 89 Ų | 89 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.6 | -34 | 177.9 | -73.3 | 174.9 | 21.3 | 0 | 0 | 112.9 | S438 D444 | S438-Q442 WeakPolarHBondContact O-CB 3.29Å; S438-Q442 VanDerWaalsContact O-CG 3.24Å; S438-Q442 WeakPolarHBondContact O-CG 3.24Å; S438-Q442 PolarHBondContact O-N 2.94Å; S438-Q442 PolarHBondContact OG-NE2 3.39Å; Q442-D444 VanDerWaalsContact C-N 3.3Å |
| 443 | T | 71 | Confident | 77 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.4 | 177.7 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | D439 L440 Q445 | D439-T443 WeakPolarHBondContact O-CG2 3.41Å; D439-T443 PolarHBondContact O-N 2.91Å; D439-T443 VanDerWaalsContact O-N 3.17Å; D439-T443 PolarHBondContact O-OG1 3.14Å; L440-T443 WeakPolarHBondContact CA-OG1 3.47Å; L440-T443 PolarHBondContact O-N 3.26Å; L440-T443 PolarHBondContact O-OG1 2.74Å; T443-Q445 PolarHBondContact O-N 2.59Å; T443-Q445 VanDerWaalsContact O-N 3.13Å |
| 444 | D | 63 | Low | 76.7 | Confident | 142 Ų | 142 | 89 Ų | 89 | 76% | 0.759 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 27.5 | -172.7 | -146.8 | 22.2 | 0 | 0 | 0 | 113.1 | L440 I441 Q442 L446 | L440-D444 PolarHBondContact O-N 2.86Å; L440-D444 VanDerWaalsContact O-N 3.16Å; I441-D444 PolarHBondContact O-N 2.86Å; Q442-D444 VanDerWaalsContact C-N 3.3Å; D444-L446 VanDerWaalsContact C-N 3.3Å; D444-L446 PolarHBondContact O-N 2.79Å |
| 445 | Q | 69.8 | Low | 76.7 | Confident | 140 Ų | 140 | 89.3 Ų | 89.3 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | trans | -96.6 | 34.3 | 177.9 | -67.5 | -174.7 | 5.8 | 0 | 0 | 111.4 | L440 T443 P447 | L440-Q445 WeakPolarHBondContact CD2-O 2.91Å; L440-Q445 PolarHBondContact O-N 2.83Å; L440-Q445 VanDerWaalsContact O-N 3.15Å; T443-Q445 PolarHBondContact O-N 2.59Å; T443-Q445 VanDerWaalsContact O-N 3.13Å; Q445-P447 WeakPolarHBondContact O-CD 3.2Å | ||
| 446 | L | 71.7 | Confident | 76.6 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | trans | -61 | 124.2 | 173.1 | -78.4 | 168 | 0 | 0 | 0 | 108.9 | F433 I441 D444 V448 M456 | F433-L446 HydrophobicContact CZ-CD2 4.4Å; I441-L446 HydrophobicContact CG1-CD1 4.33Å; I441-L446 HydrophobicContact CG1-CD2 4.17Å; I441-L446 HydrophobicContact CG1-CG 4.46Å; D444-L446 VanDerWaalsContact C-N 3.3Å; D444-L446 PolarHBondContact O-N 2.79Å; L446-V448 PolarHBondContact O-N 3.38Å; L446-M456 HydrophobicContact CD2-CE 4Å | ||
| 447 | P | 63.4 | Low | 76.7 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 29% | 0.292 | 45% | 0.454 | S | S | . | . | trans | -62.4 | 127 | -177.2 | -19.2 | 29.4 | 0 | 0 | 0 | 111.4 | Q445 D449 C452 M456 | Q445-P447 WeakPolarHBondContact O-CD 3.2Å; P447-D449 VanDerWaalsContact C-N 3.34Å; P447-C452 HydrophobicContact CB-CB 3.19Å; P447-C452 HydrophobicContact CG-CB 3.71Å; P447-M456 VanDerWaalsContact CD-SD 3.55Å; P447-M456 HydrophobicContact CG-SD 3.8Å | ||
| 448 | V | 69.3 | Low | 76.7 | Confident | 151 Ų | 151 | 91.6 Ų | 91.6 | 92% | 0.915 | 48% | 0.479 | S | S | * | . | trans | -80.7 | -21.5 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | L446 | L446-V448 PolarHBondContact O-N 3.38Š| ||
| 449 | D | 78.7 | Confident | 77.1 | Confident | 93 Ų | 93 | 95 Ų | 95 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -73.4 | 137.1 | -177.6 | -168.6 | 5.5 | 0 | 0 | 0 | 112.5 | P447 E451 C452 A453 | P447-D449 VanDerWaalsContact C-N 3.34Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 2.71Å; D449-C452 HydrophobicContact CB-CB 4.5Å; D449-C452 PolarHBondContact O-N 2.79Å; D449-A453 PolarHBondContact O-N 2.64Å |
| 450 | H | 77.3 | Confident | 77.6 | Confident | 136 Ų | 136 | 90.3 Ų | 90.3 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.2 | -35.9 | -178.8 | -176.9 | -76.9 | 0 | 0 | 0 | 111.9 | A453 E454 | H450-A453 PolarHBondContact O-N 3.1Å; H450-E454 PolarHBondContact O-N 2.74Å |
| 451 | E | 79.8 | Confident | 78.2 | Confident | 133 Ų | 133 | 92.8 Ų | 92.8 | 62% | 0.621 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 177.5 | -70.6 | -168.5 | 172.8 | 0 | 0 | 111.8 | D449 E454 Q455 | D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 2.71Å; E451-E454 PolarHBondContact O-N 2.87Å; E451-Q455 WeakPolarHBondContact O-CG 3.43Å; E451-Q455 PolarHBondContact O-N 2.82Å |
| 452 | C | 79.1 | Confident | 78.8 | Confident | 44 Ų | 44 | 97.9 Ų | 97.9 | 30% | 0.297 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.1 | -68.8 | 0 | 0 | 0 | 0 | 112 | P447 D449 Q455 M456 | P447-C452 HydrophobicContact CB-CB 3.19Å; P447-C452 HydrophobicContact CG-CB 3.71Å; D449-C452 HydrophobicContact CB-CB 4.5Å; D449-C452 PolarHBondContact O-N 2.79Å; C452-Q455 WeakPolarHBondContact O-CB 3.31Å; C452-Q455 PolarHBondContact O-N 3.34Å; C452-M456 WeakPolarHBondContact O-CG 3.5Å; C452-M456 PolarHBondContact O-N 2.77Å |
| 453 | A | 77.7 | Confident | 79.8 | Confident | 46 Ų | 46 | 92.5 Ų | 92.5 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D449 H450 M456 K457 | D449-A453 PolarHBondContact O-N 2.64Å; H450-A453 PolarHBondContact O-N 3.1Å; A453-M456 PolarHBondContact O-N 3.46Å; A453-K457 VanDerWaalsContact O-CB 3.29Å; A453-K457 WeakPolarHBondContact O-CB 3.41Å; A453-K457 PolarHBondContact O-N 2.83Å |
| 454 | E | 82.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 27% | 0.271 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 173.5 | -77.3 | -64.4 | 136.6 | 0 | 0 | 111.9 | H450 E451 K457 H458 | H450-E454 PolarHBondContact O-N 2.74Å; E451-E454 PolarHBondContact O-N 2.87Å; E454-K457 WeakPolarHBondContact O-CB 3.4Å; E454-K457 PolarHBondContact O-N 2.99Å; E454-K457 IonicContact OE1-NZ 2.72Å; E454-K457 PolarHBondContact OE1-NZ 3.15Å; E454-K457 IonicContact OE2-NZ 2.79Å; E454-K457 PolarHBondContact OE2-NZ 3.08Å; E454-H458 WeakPolarHBondContact O-CB 3.21Å; E454-H458 PolarHBondContact O-CD2 3.08Å; E454-H458 PolarHBondContact O-N 2.56Å |
| 455 | Q | 84 | Confident | 81.9 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.8 | -48 | 173 | -72.7 | 172.4 | 14.3 | 0 | 0 | 112.1 | E451 C452 K457 H458 E459 | E451-Q455 WeakPolarHBondContact O-CG 3.43Å; E451-Q455 PolarHBondContact O-N 2.82Å; C452-Q455 WeakPolarHBondContact O-CB 3.31Å; C452-Q455 PolarHBondContact O-N 3.34Å; Q455-K457 VanDerWaalsContact C-N 3.27Å; Q455-K457 PolarHBondContact O-N 2.93Å; Q455-H458 WeakPolarHBondContact O-CB 3.38Å; Q455-H458 PolarHBondContact O-N 2.88Å; Q455-H458 VanDerWaalsContact O-N 3.12Å; Q455-E459 PolarHBondContact O-N 2.85Å |
| 456 | M | 85.1 | Confident | 82.7 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 10% | 0.103 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 174.8 | -71.5 | 178.5 | 75.7 | 0 | 0 | 111.5 | F433 F437 L446 P447 C452 A453 E459 L460 | F433-M456 HydrophobicContact CE2-CE 3.94Å; F433-M456 HydrophobicContact CZ-CE 3.7Å; F437-M456 HydrophobicContact CB-CE 4Å; F437-M456 HydrophobicContact CD1-CE 3.52Å; F437-M456 HydrophobicContact CD1-CG 4.5Å; F437-M456 HydrophobicContact CD2-CE 3.61Å; F437-M456 HydrophobicContact CE1-CB 4.13Å; F437-M456 HydrophobicContact CE1-CE 3.81Å; F437-M456 HydrophobicContact CE1-CG 3.97Å; F437-M456 HydrophobicContact CE2-CB 4.37Å; F437-M456 HydrophobicContact CE2-CE 3.9Å; F437-M456 HydrophobicContact CG-CE 3.41Å; F437-M456 VanDerWaalsContact CG-CE 3.41Å; F437-M456 HydrophobicContact CZ-CB 3.81Å; F437-M456 HydrophobicContact CZ-CE 4Å; F437-M456 HydrophobicContact CZ-CG 4.16Å; F437-M456 WeakPolarHBondContact CZ-O 3.24Å; L446-M456 HydrophobicContact CD2-CE 4Å; P447-M456 VanDerWaalsContact CD-SD 3.55Å; P447-M456 HydrophobicContact CG-SD 3.8Å; C452-M456 WeakPolarHBondContact O-CG 3.5Å; C452-M456 PolarHBondContact O-N 2.77Å; A453-M456 PolarHBondContact O-N 3.46Å; M456-E459 PolarHBondContact O-N 3.43Å; M456-L460 WeakPolarHBondContact O-CB 3.42Å; M456-L460 PolarHBondContact O-N 3.39Å |
| 457 | K | 87.7 | Confident | 83.5 | Confident | 83 Ų | 83 | 83 Ų | 83 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175 | 172.8 | -180 | 162.2 | -146.4 | 0 | 111.6 | A453 E454 Q455 L460 Y461 | A453-K457 VanDerWaalsContact O-CB 3.29Å; A453-K457 WeakPolarHBondContact O-CB 3.41Å; A453-K457 PolarHBondContact O-N 2.83Å; E454-K457 WeakPolarHBondContact O-CB 3.4Å; E454-K457 PolarHBondContact O-N 2.99Å; E454-K457 IonicContact OE1-NZ 2.72Å; E454-K457 PolarHBondContact OE1-NZ 3.15Å; E454-K457 IonicContact OE2-NZ 2.79Å; E454-K457 PolarHBondContact OE2-NZ 3.08Å; Q455-K457 VanDerWaalsContact C-N 3.27Å; Q455-K457 PolarHBondContact O-N 2.93Å; K457-L460 PolarHBondContact O-N 2.81Å; K457-Y461 HydrophobicContact CD-CE2 4.16Å; K457-Y461 HydrophobicContact CG-CD2 3.68Å; K457-Y461 HydrophobicContact CG-CE2 3.5Å; K457-Y461 VanDerWaalsContact CG-CE2 3.5Å; K457-Y461 WeakPolarHBondContact O-CB 3.12Å; K457-Y461 WeakPolarHBondContact O-CD2 3.46Å; K457-Y461 PolarHBondContact O-N 3.07Å |
| 458 | H | 88.9 | Confident | 84.6 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 175 | -77.3 | -56.6 | 0 | 0 | 0 | 112.3 | E454 Q455 Y461 Y462 | E454-H458 WeakPolarHBondContact O-CB 3.21Å; E454-H458 PolarHBondContact O-CD2 3.08Å; E454-H458 PolarHBondContact O-N 2.56Å; Q455-H458 WeakPolarHBondContact O-CB 3.38Å; Q455-H458 PolarHBondContact O-N 2.88Å; Q455-H458 VanDerWaalsContact O-N 3.12Å; H458-Y461 PolarHBondContact O-N 3.1Å; H458-Y462 WeakPolarHBondContact O-CB 3.03Å; H458-Y462 PolarHBondContact O-N 2.96Å |
| 459 | E | 89.2 | Confident | 85.5 | Confident | 113 Ų | 113 | 79 Ų | 79 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 176.8 | -171.4 | 172.5 | -166.1 | 0 | 0 | 111.9 | M436 Q455 M456 Y461 Y462 S463 | M436-E459 HydrophobicContact SD-CG 4.23Å; Q455-E459 PolarHBondContact O-N 2.85Å; M456-E459 PolarHBondContact O-N 3.43Å; E459-Y461 PolarHBondContact O-N 3.32Å; E459-Y462 PolarHBondContact O-N 3.25Å; E459-S463 PolarHBondContact O-N 3.37Å |
| 460 | L | 90.2 | Very high | 86 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 172.8 | -178.3 | 67.1 | 0 | 0 | 0 | 110.8 | E432 F433 M436 F437 M456 K457 Y462 S463 L464 | E432-L460 HydrophobicContact CB-CD1 4.37Å; F433-L460 HydrophobicContact CD2-CD2 4.27Å; M436-L460 HydrophobicContact CE-CD1 4.13Å; M436-L460 HydrophobicContact SD-CB 4.24Å; M436-L460 HydrophobicContact SD-CD1 4.08Å; F437-L460 HydrophobicContact CE2-CB 4.47Å; M456-L460 WeakPolarHBondContact O-CB 3.42Å; M456-L460 PolarHBondContact O-N 3.39Å; K457-L460 PolarHBondContact O-N 2.81Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 3.29Å; L460-S463 PolarHBondContact O-N 3.46Å; L460-L464 HydrophobicContact CD1-CD1 4.16Å; L460-L464 HydrophobicContact CD1-CG 4.23Å; L460-L464 HydrophobicContact CD2-CD1 4.48Å; L460-L464 HydrophobicContact CG-CD1 3.89Å; L460-L464 HydrophobicContact CG-CG 4.34Å; L460-L464 WeakPolarHBondContact O-CB 3.37Å; L460-L464 WeakPolarHBondContact O-CG 3.5Å; L460-L464 PolarHBondContact O-N 3.19Å |
| 461 | Y | 89.5 | Confident | 86.5 | Confident | 108 Ų | 108 | 79.4 Ų | 79.4 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177 | -86.8 | -56.2 | 0 | 0 | 0 | 112.6 | K457 H458 E459 L464 N465 Y470 | K457-Y461 HydrophobicContact CD-CE2 4.16Å; K457-Y461 HydrophobicContact CG-CD2 3.68Å; K457-Y461 HydrophobicContact CG-CE2 3.5Å; K457-Y461 VanDerWaalsContact CG-CE2 3.5Å; K457-Y461 WeakPolarHBondContact O-CB 3.12Å; K457-Y461 WeakPolarHBondContact O-CD2 3.46Å; K457-Y461 PolarHBondContact O-N 3.07Å; H458-Y461 PolarHBondContact O-N 3.1Å; E459-Y461 PolarHBondContact O-N 3.32Å; Y461-L464 PolarHBondContact O-N 2.91Å; Y461-N465 WeakPolarHBondContact O-CB 3.36Å; Y461-N465 PolarHBondContact O-N 2.84Å; Y461-N465 PolarHBondContact O-ND2 3.24Å; Y461-Y470 HydrophobicContact CE1-CE2 4.29Å |
| 462 | Y | 89.1 | Confident | 86.8 | Confident | 172 Ų | 172 | 75.7 Ų | 75.7 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 178 | 177.9 | -99.3 | 0 | 0 | 0 | 111 | H458 E459 L460 N465 S466 | H458-Y462 WeakPolarHBondContact O-CB 3.03Å; H458-Y462 PolarHBondContact O-N 2.96Å; E459-Y462 PolarHBondContact O-N 3.25Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 3.29Å; Y462-N465 PolarHBondContact O-N 3.3Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 3.47Å; Y462-S466 PolarHBondContact O-OG 3.24Å |
| 463 | S | 89.4 | Confident | 87.3 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 113.2 | M436 E459 L460 N465 S466 S467 | M436-S463 WeakPolarHBondContact CE-OG 3.46Å; E459-S463 PolarHBondContact O-N 3.37Å; L460-S463 PolarHBondContact O-N 3.46Å; S463-N465 VanDerWaalsContact C-N 3.3Å; S463-N465 PolarHBondContact O-N 3.09Å; S463-S466 WeakPolarHBondContact CA-OG 3.43Å; S463-S466 PolarHBondContact O-N 3.47Å; S463-S466 PolarHBondContact O-OG 2.96Å; S463-S467 VanDerWaalsContact O-CB 3.23Å; S463-S467 WeakPolarHBondContact O-CB 3.13Å; S463-S467 PolarHBondContact O-N 2.91Å; S463-S467 PolarHBondContact O-OG 3.03Å |
| 464 | L | 89.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 177.3 | -70.8 | 176.2 | 0 | 0 | 0 | 112 | L429 E432 L460 Y461 S467 G468 K469 Y470 F473 | L429-L464 HydrophobicContact CD2-CD1 3.45Å; L429-L464 VanDerWaalsContact CD2-CD1 3.45Å; E432-L464 HydrophobicContact CB-CD2 4.37Å; E432-L464 HydrophobicContact CG-CD2 4.11Å; L460-L464 HydrophobicContact CD1-CD1 4.16Å; L460-L464 HydrophobicContact CD1-CG 4.23Å; L460-L464 HydrophobicContact CD2-CD1 4.48Å; L460-L464 HydrophobicContact CG-CD1 3.89Å; L460-L464 HydrophobicContact CG-CG 4.34Å; L460-L464 WeakPolarHBondContact O-CB 3.37Å; L460-L464 WeakPolarHBondContact O-CG 3.5Å; L460-L464 PolarHBondContact O-N 3.19Å; Y461-L464 PolarHBondContact O-N 2.91Å; L464-S467 PolarHBondContact O-OG 3.18Å; L464-G468 PolarHBondContact O-N 3.49Å; L464-K469 HydrophobicContact CD2-CB 4.02Å; L464-K469 HydrophobicContact CD2-CD 4.36Å; L464-K469 PolarHBondContact O-N 3Å; L464-K469 VanDerWaalsContact O-N 3.17Å; L464-Y470 WeakPolarHBondContact O-CB 3.17Å; L464-Y470 PolarHBondContact O-N 3.18Å; L464-F473 HydrophobicContact CD2-CE2 4Å |
| 465 | N | 88 | Confident | 88 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.1 | -42.8 | 175.8 | -77.9 | -45.1 | 0 | 0 | 0 | 112.3 | Y461 Y462 S463 G468 Y470 | Y461-N465 WeakPolarHBondContact O-CB 3.36Å; Y461-N465 PolarHBondContact O-N 2.84Å; Y461-N465 PolarHBondContact O-ND2 3.24Å; Y462-N465 PolarHBondContact O-N 3.3Å; S463-N465 VanDerWaalsContact C-N 3.3Å; S463-N465 PolarHBondContact O-N 3.09Å; N465-G468 PolarHBondContact O-N 3.44Å; N465-Y470 WeakPolarHBondContact OD1-CB 3.49Å; N465-Y470 WeakPolarHBondContact OD1-CD1 3.43Å; N465-Y470 VanDerWaalsContact OD1-CG 3.29Å |
| 466 | S | 86.5 | Confident | 88.1 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.2 | -34.9 | -179.7 | 68 | 0 | 0 | 0 | 0 | 112.6 | Y462 S463 G468 | Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 3.47Å; Y462-S466 PolarHBondContact O-OG 3.24Å; S463-S466 WeakPolarHBondContact CA-OG 3.43Å; S463-S466 PolarHBondContact O-N 3.47Å; S463-S466 PolarHBondContact O-OG 2.96Å; S466-G468 VanDerWaalsContact C-N 3.29Å; S466-G468 PolarHBondContact O-N 3.28Å |
| 467 | S | 89.3 | Confident | 88.3 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.9 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | S463 L464 K469 | S463-S467 VanDerWaalsContact O-CB 3.23Å; S463-S467 WeakPolarHBondContact O-CB 3.13Å; S463-S467 PolarHBondContact O-N 2.91Å; S463-S467 PolarHBondContact O-OG 3.03Å; L464-S467 PolarHBondContact O-OG 3.18Å; S467-K469 PolarHBondContact O-N 3.08Å; S467-K469 WeakPolarHBondContact OG-CG 3.48Å |
| 468 | G | 86 | Confident | 88.4 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 75.2 | -2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L464 N465 S466 Y470 F471 A472 | L464-G468 PolarHBondContact O-N 3.49Å; N465-G468 PolarHBondContact O-N 3.44Å; S466-G468 VanDerWaalsContact C-N 3.29Å; S466-G468 PolarHBondContact O-N 3.28Å; G468-Y470 VanDerWaalsContact C-N 3.31Å; G468-Y470 PolarHBondContact O-N 3.3Å; G468-F471 PolarHBondContact O-N 3.5Å; G468-A472 PolarHBondContact O-N 3.25Å |
| 469 | K | 88 | Confident | 88.4 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 179.2 | -67.5 | 177.9 | -169.7 | -179.7 | 0 | 112.1 | E432 L464 S467 F471 A472 F473 | E432-K469 HydrophobicContact CG-CD 4.4Å; E432-K469 IonicContact OE1-NZ 2.68Å; E432-K469 PolarHBondContact OE1-NZ 3.19Å; E432-K469 IonicContact OE2-NZ 2.61Å; E432-K469 PolarHBondContact OE2-NZ 3.12Å; L464-K469 HydrophobicContact CD2-CB 4.02Å; L464-K469 HydrophobicContact CD2-CD 4.36Å; L464-K469 PolarHBondContact O-N 3Å; L464-K469 VanDerWaalsContact O-N 3.17Å; S467-K469 PolarHBondContact O-N 3.08Å; S467-K469 WeakPolarHBondContact OG-CG 3.48Å; K469-F471 VanDerWaalsContact C-N 3.31Å; K469-F471 PolarHBondContact O-N 3Å; K469-A472 WeakPolarHBondContact O-CB 3.38Å; K469-A472 PolarHBondContact O-N 3.46Å; K469-A472 VanDerWaalsContact O-N 3.13Å; K469-F473 HydrophobicContact CB-CE2 4.26Å; K469-F473 HydrophobicContact CB-CZ 4.19Å; K469-F473 WeakPolarHBondContact O-CD2 3.13Å; K469-F473 VanDerWaalsContact O-CG 3.27Å; K469-F473 WeakPolarHBondContact O-CG 3.4Å; K469-F473 PolarHBondContact O-N 3.04Å |
| 470 | Y | 88.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 175.7 | -177.8 | -102 | 0 | 0 | 0 | 112 | Y461 L464 N465 G468 F473 K474 | Y461-Y470 HydrophobicContact CE1-CE2 4.29Å; L464-Y470 WeakPolarHBondContact O-CB 3.17Å; L464-Y470 PolarHBondContact O-N 3.18Å; N465-Y470 WeakPolarHBondContact OD1-CB 3.49Å; N465-Y470 WeakPolarHBondContact OD1-CD1 3.43Å; N465-Y470 VanDerWaalsContact OD1-CG 3.29Å; G468-Y470 VanDerWaalsContact C-N 3.31Å; G468-Y470 PolarHBondContact O-N 3.3Å; Y470-F473 PolarHBondContact O-N 3.4Å; Y470-K474 PolarHBondContact O-N 2.96Å |
| 471 | F | 88.5 | Confident | 88.5 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 177 | -176.5 | -94.3 | 0 | 0 | 0 | 111.6 | G468 K469 F473 K474 E475 | G468-F471 PolarHBondContact O-N 3.5Å; K469-F471 VanDerWaalsContact C-N 3.31Å; K469-F471 PolarHBondContact O-N 3Å; F471-F473 PolarHBondContact O-N 3.24Å; F471-K474 PolarHBondContact O-N 2.83Å; F471-E475 PolarHBondContact O-N 3Å |
| 472 | A | 86.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 73 Ų | 73 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G468 K469 E475 R476 | G468-A472 PolarHBondContact O-N 3.25Å; K469-A472 WeakPolarHBondContact O-CB 3.38Å; K469-A472 PolarHBondContact O-N 3.46Å; K469-A472 VanDerWaalsContact O-N 3.13Å; A472-E475 PolarHBondContact O-N 2.79Å; A472-R476 WeakPolarHBondContact O-CB 3.47Å; A472-R476 PolarHBondContact O-N 3.47Å |
| 473 | F | 89.9 | Confident | 88.4 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.3 | -57.5 | -27.7 | 0 | 0 | 0 | 111.9 | V425 Y428 L429 L464 K469 Y470 F471 R476 L477 | V425-F473 HydrophobicContact CG1-CB 4.13Å; V425-F473 HydrophobicContact CG1-CD2 4.41Å; V425-F473 HydrophobicContact CG1-CG 4.15Å; V425-F473 HydrophobicContact CG2-CB 4.34Å; V425-F473 HydrophobicContact CG2-CD1 4.46Å; Y428-F473 HydrophobicContact CD2-CE1 4.33Å; Y428-F473 HydrophobicContact CG-CE1 4.28Å; L429-F473 HydrophobicContact CD2-CD2 4.23Å; L429-F473 HydrophobicContact CD2-CE2 3.84Å; L429-F473 HydrophobicContact CG-CE2 4.25Å; L464-F473 HydrophobicContact CD2-CE2 4Å; K469-F473 HydrophobicContact CB-CE2 4.26Å; K469-F473 HydrophobicContact CB-CZ 4.19Å; K469-F473 WeakPolarHBondContact O-CD2 3.13Å; K469-F473 VanDerWaalsContact O-CG 3.27Å; K469-F473 WeakPolarHBondContact O-CG 3.4Å; K469-F473 PolarHBondContact O-N 3.04Å; Y470-F473 PolarHBondContact O-N 3.4Å; F471-F473 PolarHBondContact O-N 3.24Å; F473-R476 PolarHBondContact O-N 3.19Å; F473-L477 PolarHBondContact O-N 2.84Å |
| 474 | K | 87.4 | Confident | 88.4 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 176.9 | -175.6 | 179.7 | 179.1 | 179.5 | 0 | 112 | Y470 F471 R476 L477 K478 | Y470-K474 PolarHBondContact O-N 2.96Å; F471-K474 PolarHBondContact O-N 2.83Å; K474-R476 VanDerWaalsContact C-N 3.29Å; K474-R476 PolarHBondContact O-N 2.84Å; K474-L477 PolarHBondContact O-N 2.93Å; K474-K478 WeakPolarHBondContact O-CB 3.45Å; K474-K478 PolarHBondContact O-N 3.33Å |
| 475 | E | 86.3 | Confident | 88.3 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.6 | -34 | -179.9 | -165.6 | 62.3 | -159.4 | 0 | 0 | 111.4 | F471 A472 K478 F479 | F471-E475 PolarHBondContact O-N 3Å; A472-E475 PolarHBondContact O-N 2.79Å; E475-K478 VanDerWaalsContact CD-NZ 3.31Å; E475-K478 WeakPolarHBondContact O-CB 3.46Å; E475-K478 PolarHBondContact O-N 3.48Å; E475-K478 WeakPolarHBondContact OE1-CD 3.45Å; E475-K478 IonicContact OE1-NZ 2.98Å; E475-K478 PolarHBondContact OE1-NZ 3.16Å; E475-K478 VanDerWaalsContact OE2-CD 3.27Å; E475-K478 WeakPolarHBondContact OE2-CD 3.35Å; E475-K478 IonicContact OE2-NZ 2.65Å; E475-K478 PolarHBondContact OE2-NZ 3.17Å; E475-F479 HydrophobicContact CG-CE2 4.26Å; E475-F479 VanDerWaalsContact O-CD2 3.31Å; E475-F479 WeakPolarHBondContact O-CD2 3.25Å |
| 476 | R | 85.5 | Confident | 88.2 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 174.8 | -170.5 | 171.6 | -174.6 | 115.3 | 17.6 | 112.7 | Q421 E424 A472 F473 K474 K478 | Q421-R476 VanDerWaalsContact OE1-NH2 3.17Å; E424-R476 IonicContact OE1-NH2 2.57Å; E424-R476 IonicContact OE2-CZ 2.78Å; E424-R476 IonicContact OE2-NE 3.98Å; E424-R476 IonicContact OE2-NH1 3.63Å; E424-R476 IonicContact OE2-NH2 3.15Å; E424-R476 PolarHBondContact OE2-NH2 3.34Å; A472-R476 WeakPolarHBondContact O-CB 3.47Å; A472-R476 PolarHBondContact O-N 3.47Å; F473-R476 PolarHBondContact O-N 3.19Å; K474-R476 VanDerWaalsContact C-N 3.29Å; K474-R476 PolarHBondContact O-N 2.84Å; R476-K478 VanDerWaalsContact C-N 3.32Å; R476-K478 PolarHBondContact O-N 2.88Å |
| 477 | L | 90.1 | Very high | 88 | Confident | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 177.8 | -71.7 | 171.6 | 0 | 0 | 0 | 112.1 | Y418 Q421 I422 V425 F473 K474 F479 A480 V481 | Y418-L477 HydrophobicContact CE2-CD2 4.17Å; Q421-L477 HydrophobicContact CB-CD2 4.08Å; I422-L477 HydrophobicContact CG1-CD2 4.23Å; V425-L477 HydrophobicContact CG2-CD2 4.46Å; V425-L477 HydrophobicContact CG2-CG 4.32Å; F473-L477 PolarHBondContact O-N 2.84Å; K474-L477 PolarHBondContact O-N 2.93Å; L477-F479 VanDerWaalsContact C-N 3.35Å; L477-F479 PolarHBondContact O-N 3.36Å; L477-A480 PolarHBondContact O-N 3.31Å; L477-A480 VanDerWaalsContact O-N 3.16Å; L477-V481 WeakPolarHBondContact O-CG2 3.19Å; L477-V481 PolarHBondContact O-N 3.19Å |
| 478 | K | 90.5 | Very high | 87.7 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.2 | -43.7 | 179.4 | 178.9 | -170.3 | 175.4 | -167.5 | 0 | 113.1 | K474 E475 R476 A480 V481 I482 | K474-K478 WeakPolarHBondContact O-CB 3.45Å; K474-K478 PolarHBondContact O-N 3.33Å; E475-K478 VanDerWaalsContact CD-NZ 3.31Å; E475-K478 WeakPolarHBondContact O-CB 3.46Å; E475-K478 PolarHBondContact O-N 3.48Å; E475-K478 WeakPolarHBondContact OE1-CD 3.45Å; E475-K478 IonicContact OE1-NZ 2.98Å; E475-K478 PolarHBondContact OE1-NZ 3.16Å; E475-K478 VanDerWaalsContact OE2-CD 3.27Å; E475-K478 WeakPolarHBondContact OE2-CD 3.35Å; E475-K478 IonicContact OE2-NZ 2.65Å; E475-K478 PolarHBondContact OE2-NZ 3.17Å; R476-K478 VanDerWaalsContact C-N 3.32Å; R476-K478 PolarHBondContact O-N 2.88Å; K478-A480 PolarHBondContact O-N 3.17Å; K478-V481 PolarHBondContact O-N 3.03Å; K478-I482 HydrophobicContact CG-CD1 3.95Å; K478-I482 VanDerWaalsContact O-CG1 3.27Å; K478-I482 WeakPolarHBondContact O-CG1 3.13Å; K478-I482 PolarHBondContact O-N 2.98Å |
| 479 | F | 88.1 | Confident | 87.7 | Confident | 137 Ų | 137 | 71 Ų | 71 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 178.5 | -75.3 | -73 | 0 | 0 | 0 | 112.7 | E475 L477 I482 K483 | E475-F479 HydrophobicContact CG-CE2 4.26Å; E475-F479 VanDerWaalsContact O-CD2 3.31Å; E475-F479 WeakPolarHBondContact O-CD2 3.25Å; L477-F479 VanDerWaalsContact C-N 3.35Å; L477-F479 PolarHBondContact O-N 3.36Å; F479-I482 PolarHBondContact O-N 3Å; F479-K483 PolarHBondContact O-N 3.24Å; F479-K483 VanDerWaalsContact O-N 3.12Å |
| 480 | A | 89 | Confident | 87.4 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y418 Q421 L477 K478 K483 I484 | Y418-A480 HydrophobicContact CD2-CB 3.93Å; Q421-A480 HydrophobicContact CB-CB 4.5Å; Q421-A480 HydrophobicContact CG-CB 4.06Å; L477-A480 PolarHBondContact O-N 3.31Å; L477-A480 VanDerWaalsContact O-N 3.16Å; K478-A480 PolarHBondContact O-N 3.17Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.2Å; A480-I484 PolarHBondContact O-N 3.08Å; A480-I484 VanDerWaalsContact O-N 3.08Å |
| 481 | V | 91.8 | Very high | 86.8 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 19% | 0.194 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | Y418 L477 K478 K483 I484 V485 L508 L512 | Y418-V481 HydrophobicContact CD2-CG2 4.34Å; Y418-V481 HydrophobicContact CE2-CG2 3.87Å; L477-V481 WeakPolarHBondContact O-CG2 3.19Å; L477-V481 PolarHBondContact O-N 3.19Å; K478-V481 PolarHBondContact O-N 3.03Å; V481-K483 PolarHBondContact O-N 3.48Å; V481-I484 WeakPolarHBondContact O-CB 3.41Å; V481-I484 PolarHBondContact O-N 3.46Å; V481-I484 VanDerWaalsContact O-N 3.08Å; V481-V485 HydrophobicContact CG1-CG2 4.4Å; V481-V485 WeakPolarHBondContact O-CG2 3.29Å; V481-V485 PolarHBondContact O-N 2.66Å; V481-L508 HydrophobicContact CG1-CD2 4.48Å; V481-L512 HydrophobicContact CB-CD1 4.38Å; V481-L512 HydrophobicContact CG1-CD1 3.66Å; V481-L512 HydrophobicContact CG2-CD1 3.82Å; V481-L512 HydrophobicContact CG2-CD2 4.03Å |
| 482 | I | 88.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 29% | 0.292 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.4 | -38.9 | 176 | -71.1 | 166.2 | 0 | 0 | 0 | 110.6 | K478 F479 V485 R486 | K478-I482 HydrophobicContact CG-CD1 3.95Å; K478-I482 VanDerWaalsContact O-CG1 3.27Å; K478-I482 WeakPolarHBondContact O-CG1 3.13Å; K478-I482 PolarHBondContact O-N 2.98Å; F479-I482 PolarHBondContact O-N 3Å; I482-V485 PolarHBondContact O-N 3.19Å; I482-R486 HydrophobicContact CG2-CG 4.48Å; I482-R486 WeakPolarHBondContact O-CG 3.25Å; I482-R486 PolarHBondContact O-N 3.31Å |
| 483 | K | 87.9 | Confident | 86.1 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.4 | -162 | 177.3 | -177.6 | 176 | 0 | 112.1 | A414 F479 A480 V481 R486 E487 | A414-K483 HydrophobicContact CB-CB 4.39Å; A414-K483 HydrophobicContact CB-CD 4.35Å; A414-K483 HydrophobicContact CB-CG 3.94Å; F479-K483 PolarHBondContact O-N 3.24Å; F479-K483 VanDerWaalsContact O-N 3.12Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.2Å; V481-K483 PolarHBondContact O-N 3.48Å; K483-R486 PolarHBondContact O-N 3.09Å; K483-E487 WeakPolarHBondContact CE-OE1 3.17Å; K483-E487 WeakPolarHBondContact CE-OE2 2.78Å; K483-E487 VanDerWaalsContact CG-CD 3.45Å; K483-E487 HydrophobicContact CG-CG 4.18Å; K483-E487 VanDerWaalsContact CG-OE1 3.25Å; K483-E487 WeakPolarHBondContact CG-OE1 3.15Å; K483-E487 VanDerWaalsContact O-CB 3.25Å; K483-E487 WeakPolarHBondContact O-CB 3.48Å; K483-E487 WeakPolarHBondContact O-CG 3.37Å; K483-E487 PolarHBondContact O-N 2.83Å |
| 484 | I | 89.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 173.1 | -71.9 | 174.8 | 0 | 0 | 0 | 111 | A414 Y418 A480 V481 R486 E487 K488 F489 Y511 L512 | A414-I484 HydrophobicContact CB-CG1 3.92Å; Y418-I484 HydrophobicContact CD1-CD1 3.83Å; Y418-I484 HydrophobicContact CD2-CD1 4.2Å; Y418-I484 HydrophobicContact CG-CD1 3.59Å; A480-I484 PolarHBondContact O-N 3.08Å; A480-I484 VanDerWaalsContact O-N 3.08Å; V481-I484 WeakPolarHBondContact O-CB 3.41Å; V481-I484 PolarHBondContact O-N 3.46Å; V481-I484 VanDerWaalsContact O-N 3.08Å; I484-R486 VanDerWaalsContact C-N 3.3Å; I484-R486 PolarHBondContact O-N 3.11Å; I484-E487 PolarHBondContact O-N 2.92Å; I484-K488 HydrophobicContact CG2-CB 4.34Å; I484-K488 WeakPolarHBondContact O-CA 3.44Å; I484-K488 WeakPolarHBondContact O-CB 3.38Å; I484-K488 PolarHBondContact O-N 3.31Å; I484-F489 HydrophobicContact CG2-CD2 4.02Å; I484-F489 HydrophobicContact CG2-CE2 3.97Å; I484-F489 PolarHBondContact O-N 2.8Å; I484-Y511 HydrophobicContact CG2-CD1 4.23Å; I484-Y511 HydrophobicContact CG2-CE1 3.8Å; I484-L512 HydrophobicContact CD1-CD2 3.75Å; I484-L512 HydrophobicContact CG2-CD2 4.38Å |
| 485 | V | 89.1 | Confident | 85.4 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V481 I482 F489 F490 R491 F504 L508 | V481-V485 HydrophobicContact CG1-CG2 4.4Å; V481-V485 WeakPolarHBondContact O-CG2 3.29Å; V481-V485 PolarHBondContact O-N 2.66Å; I482-V485 PolarHBondContact O-N 3.19Å; V485-F489 CarbonylContact O-C 3.56Å; V485-F489 WeakPolarHBondContact O-CB 3.33Å; V485-F490 PolarHBondContact O-N 2.84Å; V485-R491 HydrophobicContact CG1-CB 3.98Å; V485-R491 PolarHBondContact O-N 3.28Å; V485-F504 HydrophobicContact CG1-CE1 4.21Å; V485-F504 HydrophobicContact CG1-CZ 4Å; V485-F504 HydrophobicContact CG2-CZ 4.38Å; V485-L508 HydrophobicContact CG2-CD1 3.81Å; V485-L508 HydrophobicContact CG2-CD2 3.47Å; V485-L508 VanDerWaalsContact CG2-CD2 3.47Å; V485-L508 HydrophobicContact CG2-CG 4.31Å |
| 486 | R | 85.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 85 Ų | 85 | 59% | 0.592 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -76.1 | -43.2 | 179.5 | -70.8 | 176 | -179.2 | 179.9 | 1.7 | 113.5 | I482 K483 I484 F490 | I482-R486 HydrophobicContact CG2-CG 4.48Å; I482-R486 WeakPolarHBondContact O-CG 3.25Å; I482-R486 PolarHBondContact O-N 3.31Å; K483-R486 PolarHBondContact O-N 3.09Å; I484-R486 VanDerWaalsContact C-N 3.3Å; I484-R486 PolarHBondContact O-N 3.11Å; R486-F490 WeakPolarHBondContact O-CA 3.49Å |
| 487 | E | 82.7 | Confident | 85.4 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -97.8 | -22.1 | -167.2 | -64.3 | -179.2 | -169.1 | 0 | 0 | 114 | T410 G411 A414 K483 I484 F490 | T410-E487 PolarHBondContact OG1-O 3.37Å; G411-E487 WeakPolarHBondContact CA-O 3.2Å; G411-E487 PolarHBondContact N-O 3.02Å; A414-E487 HydrophobicContact CB-CB 4.14Å; K483-E487 WeakPolarHBondContact CE-OE1 3.17Å; K483-E487 WeakPolarHBondContact CE-OE2 2.78Å; K483-E487 VanDerWaalsContact CG-CD 3.45Å; K483-E487 HydrophobicContact CG-CG 4.18Å; K483-E487 VanDerWaalsContact CG-OE1 3.25Å; K483-E487 WeakPolarHBondContact CG-OE1 3.15Å; K483-E487 VanDerWaalsContact O-CB 3.25Å; K483-E487 WeakPolarHBondContact O-CB 3.48Å; K483-E487 WeakPolarHBondContact O-CG 3.37Å; K483-E487 PolarHBondContact O-N 2.83Å; I484-E487 PolarHBondContact O-N 2.92Å; E487-F490 WeakPolarHBondContact O-CE1 3.46Å; E487-F490 WeakPolarHBondContact O-CZ 3.46Å |
| 488 | K | 83 | Confident | 85.3 | Confident | 82 Ų | 82 | 87 Ų | 87 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -46.4 | 177.4 | -178.3 | 168.5 | 178.2 | 164.3 | 0 | 112.8 | V415 I484 F490 Y511 | V415-K488 HydrophobicContact CG2-CD 4.1Å; I484-K488 HydrophobicContact CG2-CB 4.34Å; I484-K488 WeakPolarHBondContact O-CA 3.44Å; I484-K488 WeakPolarHBondContact O-CB 3.38Å; I484-K488 PolarHBondContact O-N 3.31Å; K488-F490 VanDerWaalsContact C-N 3.32Å; K488-F490 VanDerWaalsContact O-CD2 3.27Å; K488-F490 WeakPolarHBondContact O-CD2 3.29Å; K488-F490 VanDerWaalsContact O-CE2 3.26Å; K488-F490 WeakPolarHBondContact O-CE2 3.26Å; K488-Y511 HydrophobicContact CD-CE1 3.93Å; K488-Y511 HydrophobicContact CD-CE2 4.43Å; K488-Y511 WeakPolarHBondContact CD-OH 3.34Å; K488-Y511 PolarHBondContact NZ-OH 3.43Å |
| 489 | F | 84.7 | Confident | 85.2 | Confident | 57 Ų | 57 | 89.2 Ų | 89.2 | 25% | 0.25 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -85.6 | -6.6 | 176.6 | -70.6 | -90.4 | 0 | 0 | 0 | 113.2 | I484 V485 R491 F504 L508 Y511 | I484-F489 HydrophobicContact CG2-CD2 4.02Å; I484-F489 HydrophobicContact CG2-CE2 3.97Å; I484-F489 PolarHBondContact O-N 2.8Å; V485-F489 CarbonylContact O-C 3.56Å; V485-F489 WeakPolarHBondContact O-CB 3.33Å; F489-R491 HydrophobicContact CB-CG 4.2Å; F489-R491 WeakPolarHBondContact O-CG 3.29Å; F489-R491 PolarHBondContact O-N 3.43Å; F489-R491 VanDerWaalsContact O-N 3.1Å; F489-F504 HydrophobicContact CB-CE2 3.89Å; F489-F504 HydrophobicContact CB-CZ 4.05Å; F489-F504 AromaticContact CD1-CE2 3.68Å; F489-F504 HydrophobicContact CD1-CE2 3.68Å; F489-F504 HydrophobicContact CD1-CZ 4.37Å; F489-F504 HydrophobicContact CE1-CE2 4.39Å; F489-F504 AromaticContact CG-CE2 3.88Å; F489-F504 HydrophobicContact CG-CE2 3.88Å; F489-F504 HydrophobicContact CG-CZ 4.16Å; F489-L508 HydrophobicContact CD2-CD1 3.99Å; F489-L508 HydrophobicContact CE2-CD1 3.58Å; F489-L508 HydrophobicContact CZ-CD1 4.15Å; F489-Y511 AromaticContact CE2-CD1 3.61Å; F489-Y511 HydrophobicContact CE2-CD1 3.61Å; F489-Y511 HydrophobicContact CE2-CE1 4.15Å; F489-Y511 HydrophobicContact CE2-CG 4.16Å; F489-Y511 AromaticContact CZ-CD1 3.88Å; F489-Y511 HydrophobicContact CZ-CD1 3.88Å; F489-Y511 AromaticContact CZ-CG 3.93Å; F489-Y511 HydrophobicContact CZ-CG 3.93Å |
| 490 | F | 82.1 | Confident | 85.1 | Confident | 109 Ų | 109 | 88 Ų | 88 | 48% | 0.478 | 43% | 0.428 | S | S | . | . | trans | 51.4 | 31.6 | -179.9 | -55 | -75.2 | 0 | 0 | 0 | 113.9 | T407 V485 R486 E487 K488 | T407-F490 HydrophobicContact CG2-CE1 4.14Å; T407-F490 HydrophobicContact CG2-CZ 4.35Å; T407-F490 WeakPolarHBondContact O-CZ 3.36Å; V485-F490 PolarHBondContact O-N 2.84Å; R486-F490 WeakPolarHBondContact O-CA 3.49Å; E487-F490 WeakPolarHBondContact O-CE1 3.46Å; E487-F490 WeakPolarHBondContact O-CZ 3.46Å; K488-F490 VanDerWaalsContact C-N 3.32Å; K488-F490 VanDerWaalsContact O-CD2 3.27Å; K488-F490 WeakPolarHBondContact O-CD2 3.29Å; K488-F490 VanDerWaalsContact O-CE2 3.26Å; K488-F490 WeakPolarHBondContact O-CE2 3.26Å | ||
| 491 | R | 76.5 | Confident | 85.1 | Confident | 137 Ų | 137 | 90 Ų | 90 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | trans | -98.2 | 108.5 | -179.9 | -63.9 | -54.1 | -176.5 | -178.9 | -1.3 | 110.7 | V485 F489 F504 | V485-R491 HydrophobicContact CG1-CB 3.98Å; V485-R491 PolarHBondContact O-N 3.28Å; F489-R491 HydrophobicContact CB-CG 4.2Å; F489-R491 WeakPolarHBondContact O-CG 3.29Å; F489-R491 PolarHBondContact O-N 3.43Å; F489-R491 VanDerWaalsContact O-N 3.1Å; R491-F504 HydrophobicContact CB-CZ 4.34Å; R491-F504 HydrophobicContact CG-CD2 4.45Å; R491-F504 HydrophobicContact CG-CE2 3.77Å; R491-F504 HydrophobicContact CG-CZ 3.89Å | ||
| 492 | T | 78.6 | Confident | 84.9 | Confident | 119 Ų | 119 | 93.5 Ų | 93.5 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | trans | -116.6 | -13.6 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 493 | K | 81 | Confident | 84.9 | Confident | 178 Ų | 178 | 94.9 Ų | 94.9 | 77% | 0.774 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -106.3 | 145.4 | 179.6 | -63.9 | -176.7 | -179.8 | -179.1 | 0 | 110.7 | ||
| 494 | P | 78.5 | Confident | 85 | Confident | 123 Ų | 123 | 93.3 Ų | 93.3 | 80% | 0.799 | 45% | 0.453 | S | S | * | . | trans | -68.1 | 153.5 | 175.2 | 29.7 | -34.3 | 0 | 0 | 0 | 111.4 | ||||
| 495 | F | 84.5 | Confident | 85 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | trans | -75 | 134 | 176.3 | -68.7 | -92.9 | 0 | 0 | 0 | 110.5 | Q500 L501 F504 | F495-Q500 HydrophobicContact CD1-CB 3.82Å; F495-Q500 HydrophobicContact CE1-CB 4.29Å; F495-L501 HydrophobicContact CB-CB 3.79Å; F495-L501 HydrophobicContact CB-CD1 4.39Å; F495-L501 HydrophobicContact CD1-CB 4.48Å; F495-L501 HydrophobicContact CD2-CB 4.12Å; F495-L501 HydrophobicContact CD2-CD1 3.4Å; F495-L501 HydrophobicContact CD2-CG 4.34Å; F495-L501 HydrophobicContact CE2-CD1 3.91Å; F495-L501 HydrophobicContact CG-CB 3.88Å; F495-L501 HydrophobicContact CG-CD1 4.07Å; F495-F504 HydrophobicContact CE1-CB 3.89Å; F495-F504 HydrophobicContact CE1-CG 4.29Å; F495-F504 HydrophobicContact CE2-CB 4.07Å; F495-F504 AromaticContact CE2-CD1 3.59Å; F495-F504 HydrophobicContact CE2-CD1 3.59Å; F495-F504 HydrophobicContact CE2-CE1 4.27Å; F495-F504 AromaticContact CE2-CG 3.9Å; F495-F504 HydrophobicContact CE2-CG 3.9Å; F495-F504 HydrophobicContact CZ-CB 3.37Å; F495-F504 AromaticContact CZ-CD1 3.57Å; F495-F504 HydrophobicContact CZ-CD1 3.57Å; F495-F504 HydrophobicContact CZ-CD2 4Å; F495-F504 HydrophobicContact CZ-CE1 4.36Å; F495-F504 AromaticContact CZ-CG 3.35Å; F495-F504 HydrophobicContact CZ-CG 3.35Å | ||
| 496 | T | 84.3 | Confident | 85 | Confident | 150 Ų | 150 | 102.8 Ų | 102.8 | 92% | 0.92 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -83.8 | -26.5 | 172.9 | 27 | 0 | 0 | 0 | 0 | 112.9 | ||
| 497 | D | 88.2 | Confident | 85.1 | Confident | 61 Ų | 61 | 99.1 Ų | 99.1 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -110.9 | 131.1 | 179.7 | 173.7 | 34.7 | 0 | 0 | 0 | 110.4 | E499 Q500 L501 | D497-E499 VanDerWaalsContact C-N 3.32Å; D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 PolarHBondContact OD1-N 3.21Å; D497-Q500 HydrophobicContact CB-CB 4.36Å; D497-Q500 HydrophobicContact CB-CG 4.28Å; D497-Q500 PolarHBondContact O-N 2.95Å; D497-Q500 WeakPolarHBondContact OD2-CG 3.45Å; D497-Q500 PolarHBondContact OD2-N 3.14Å; D497-L501 PolarHBondContact O-N 3.46Å |
| 498 | Q | 88 | Confident | 85.5 | Confident | 124 Ų | 124 | 97.2 Ų | 97.2 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.6 | -32.3 | -175.7 | -170.8 | 68.3 | 7 | 0 | 0 | 111.4 | L501 Q502 | Q498-L501 PolarHBondContact O-N 3.18Å; Q498-Q502 WeakPolarHBondContact O-CG 3.4Å; Q498-Q502 PolarHBondContact O-N 2.94Å; Q498-Q502 VanDerWaalsContact O-N 3.09Å |
| 499 | E | 88.6 | Confident | 85.9 | Confident | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.682 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -44.3 | 178.3 | -63.5 | -174.7 | 175.7 | 0 | 0 | 111.3 | D497 L501 Q502 L503 | D497-E499 VanDerWaalsContact C-N 3.32Å; D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 PolarHBondContact OD1-N 3.21Å; E499-L501 VanDerWaalsContact C-N 3.3Å; E499-L501 PolarHBondContact O-N 2.97Å; E499-Q502 PolarHBondContact O-N 3.3Å; E499-L503 PolarHBondContact O-N 3.12Å |
| 500 | Q | 85.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 174.2 | -71.7 | 180 | 13.5 | 0 | 0 | 112.8 | F495 D497 F504 | F495-Q500 HydrophobicContact CD1-CB 3.82Å; F495-Q500 HydrophobicContact CE1-CB 4.29Å; D497-Q500 HydrophobicContact CB-CB 4.36Å; D497-Q500 HydrophobicContact CB-CG 4.28Å; D497-Q500 PolarHBondContact O-N 2.95Å; D497-Q500 WeakPolarHBondContact OD2-CG 3.45Å; D497-Q500 PolarHBondContact OD2-N 3.14Å; Q500-F504 WeakPolarHBondContact O-CB 3.49Å; Q500-F504 PolarHBondContact O-N 3.39Å |
| 501 | L | 88.1 | Confident | 86.6 | Confident | 48 Ų | 48 | 97.4 Ų | 97.4 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.1 | 176.3 | 61.7 | 0 | 0 | 0 | 110.9 | F495 D497 Q498 E499 F504 L505 | F495-L501 HydrophobicContact CB-CB 3.79Å; F495-L501 HydrophobicContact CB-CD1 4.39Å; F495-L501 HydrophobicContact CD1-CB 4.48Å; F495-L501 HydrophobicContact CD2-CB 4.12Å; F495-L501 HydrophobicContact CD2-CD1 3.4Å; F495-L501 HydrophobicContact CD2-CG 4.34Å; F495-L501 HydrophobicContact CE2-CD1 3.91Å; F495-L501 HydrophobicContact CG-CB 3.88Å; F495-L501 HydrophobicContact CG-CD1 4.07Å; D497-L501 PolarHBondContact O-N 3.46Å; Q498-L501 PolarHBondContact O-N 3.18Å; E499-L501 VanDerWaalsContact C-N 3.3Å; E499-L501 PolarHBondContact O-N 2.97Å; L501-F504 PolarHBondContact O-N 2.93Å; L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CG 4.1Å; L501-L505 HydrophobicContact CG-CD1 4Å; L501-L505 HydrophobicContact CG-CG 4.44Å; L501-L505 WeakPolarHBondContact O-CB 3.42Å; L501-L505 VanDerWaalsContact O-CG 3.27Å; L501-L505 WeakPolarHBondContact O-CG 3.18Å; L501-L505 PolarHBondContact O-N 3.39Å |
| 502 | Q | 87.6 | Confident | 87.4 | Confident | 106 Ų | 106 | 91.8 Ų | 91.8 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | -179.1 | -69.9 | -63.2 | -22 | 0 | 0 | 112.4 | Q498 E499 F504 L505 R506 | Q498-Q502 WeakPolarHBondContact O-CG 3.4Å; Q498-Q502 PolarHBondContact O-N 2.94Å; Q498-Q502 VanDerWaalsContact O-N 3.09Å; E499-Q502 PolarHBondContact O-N 3.3Å; Q502-F504 VanDerWaalsContact C-N 3.35Å; Q502-F504 PolarHBondContact O-N 3.43Å; Q502-L505 PolarHBondContact O-N 3.14Å; Q502-R506 PolarHBondContact O-N 3.19Å |
| 503 | L | 88.6 | Confident | 88 | Confident | 86 Ų | 86 | 88.1 Ų | 88.1 | 45% | 0.45 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.5 | -74.8 | 169.7 | 0 | 0 | 0 | 111.7 | E499 R506 D507 | E499-L503 PolarHBondContact O-N 3.12Å; L503-R506 PolarHBondContact O-N 3.4Å; L503-D507 PolarHBondContact O-N 3.05Å |
| 504 | F | 90.8 | Very high | 88.4 | Confident | 26 Ų | 26 | 83.8 Ų | 83.8 | 11% | 0.114 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177 | 177.2 | -102.8 | 0 | 0 | 0 | 112.4 | V485 F489 R491 F495 Q500 L501 Q502 R506 D507 L508 | V485-F504 HydrophobicContact CG1-CE1 4.21Å; V485-F504 HydrophobicContact CG1-CZ 4Å; V485-F504 HydrophobicContact CG2-CZ 4.38Å; F489-F504 HydrophobicContact CB-CE2 3.89Å; F489-F504 HydrophobicContact CB-CZ 4.05Å; F489-F504 AromaticContact CD1-CE2 3.68Å; F489-F504 HydrophobicContact CD1-CE2 3.68Å; F489-F504 HydrophobicContact CD1-CZ 4.37Å; F489-F504 HydrophobicContact CE1-CE2 4.39Å; F489-F504 AromaticContact CG-CE2 3.88Å; F489-F504 HydrophobicContact CG-CE2 3.88Å; F489-F504 HydrophobicContact CG-CZ 4.16Å; R491-F504 HydrophobicContact CB-CZ 4.34Å; R491-F504 HydrophobicContact CG-CD2 4.45Å; R491-F504 HydrophobicContact CG-CE2 3.77Å; R491-F504 HydrophobicContact CG-CZ 3.89Å; F495-F504 HydrophobicContact CE1-CB 3.89Å; F495-F504 HydrophobicContact CE1-CG 4.29Å; F495-F504 HydrophobicContact CE2-CB 4.07Å; F495-F504 AromaticContact CE2-CD1 3.59Å; F495-F504 HydrophobicContact CE2-CD1 3.59Å; F495-F504 HydrophobicContact CE2-CE1 4.27Å; F495-F504 AromaticContact CE2-CG 3.9Å; F495-F504 HydrophobicContact CE2-CG 3.9Å; F495-F504 HydrophobicContact CZ-CB 3.37Å; F495-F504 AromaticContact CZ-CD1 3.57Å; F495-F504 HydrophobicContact CZ-CD1 3.57Å; F495-F504 HydrophobicContact CZ-CD2 4Å; F495-F504 HydrophobicContact CZ-CE1 4.36Å; F495-F504 AromaticContact CZ-CG 3.35Å; F495-F504 HydrophobicContact CZ-CG 3.35Å; Q500-F504 WeakPolarHBondContact O-CB 3.49Å; Q500-F504 PolarHBondContact O-N 3.39Å; L501-F504 PolarHBondContact O-N 2.93Å; Q502-F504 VanDerWaalsContact C-N 3.35Å; Q502-F504 PolarHBondContact O-N 3.43Å; F504-R506 VanDerWaalsContact C-N 3.29Å; F504-R506 PolarHBondContact O-N 3.35Å; F504-D507 PolarHBondContact O-N 3.08Å; F504-L508 HydrophobicContact CE1-CB 4.48Å; F504-L508 HydrophobicContact CE1-CD2 4.03Å; F504-L508 HydrophobicContact CZ-CD2 4.39Å; F504-L508 WeakPolarHBondContact O-CB 3.04Å; F504-L508 PolarHBondContact O-N 2.52Å |
| 505 | L | 89.3 | Confident | 89 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 177.9 | -72.7 | 174.9 | 0 | 0 | 0 | 111.7 | L501 Q502 F509 | L501-L505 HydrophobicContact CD1-CD1 4.04Å; L501-L505 HydrophobicContact CD1-CG 4.1Å; L501-L505 HydrophobicContact CG-CD1 4Å; L501-L505 HydrophobicContact CG-CG 4.44Å; L501-L505 WeakPolarHBondContact O-CB 3.42Å; L501-L505 VanDerWaalsContact O-CG 3.27Å; L501-L505 WeakPolarHBondContact O-CG 3.18Å; L501-L505 PolarHBondContact O-N 3.39Å; Q502-L505 PolarHBondContact O-N 3.14Å; L505-F509 VanDerWaalsContact O-CB 3.28Å; L505-F509 WeakPolarHBondContact O-CB 3.3Å; L505-F509 PolarHBondContact O-N 3.11Å |
| 506 | R | 88.1 | Confident | 89.3 | Confident | 144 Ų | 144 | 79.1 Ų | 79.1 | 54% | 0.543 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -52.1 | 174.1 | -175.7 | -163.6 | 68.9 | -171.2 | -0.9 | 111.6 | Q502 L503 F504 L508 F509 V510 | Q502-R506 PolarHBondContact O-N 3.19Å; L503-R506 PolarHBondContact O-N 3.4Å; F504-R506 VanDerWaalsContact C-N 3.29Å; F504-R506 PolarHBondContact O-N 3.35Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.42Å; R506-F509 PolarHBondContact O-N 2.93Å; R506-V510 WeakPolarHBondContact O-CG2 3.38Å; R506-V510 PolarHBondContact O-N 3.49Å |
| 507 | D | 88.2 | Confident | 89.5 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | -177 | -64.4 | -6 | 0 | 0 | 0 | 111.3 | L503 F504 Y511 | L503-D507 PolarHBondContact O-N 3.05Å; F504-D507 PolarHBondContact O-N 3.08Å; D507-Y511 WeakPolarHBondContact O-CB 3.11Å; D507-Y511 PolarHBondContact O-N 3.48Å; D507-Y511 VanDerWaalsContact O-N 3.09Å |
| 508 | L | 92.2 | Very high | 89.4 | Confident | 13 Ų | 13 | 78 Ų | 78 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.5 | 178.8 | 64.6 | 0 | 0 | 0 | 111.4 | V481 V485 F489 F504 R506 Y511 L512 | V481-L508 HydrophobicContact CG1-CD2 4.48Å; V485-L508 HydrophobicContact CG2-CD1 3.81Å; V485-L508 HydrophobicContact CG2-CD2 3.47Å; V485-L508 VanDerWaalsContact CG2-CD2 3.47Å; V485-L508 HydrophobicContact CG2-CG 4.31Å; F489-L508 HydrophobicContact CD2-CD1 3.99Å; F489-L508 HydrophobicContact CE2-CD1 3.58Å; F489-L508 HydrophobicContact CZ-CD1 4.15Å; F504-L508 HydrophobicContact CE1-CB 4.48Å; F504-L508 HydrophobicContact CE1-CD2 4.03Å; F504-L508 HydrophobicContact CZ-CD2 4.39Å; F504-L508 WeakPolarHBondContact O-CB 3.04Å; F504-L508 PolarHBondContact O-N 2.52Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.42Å; L508-Y511 PolarHBondContact O-N 3.26Å; L508-L512 HydrophobicContact CD1-CD1 3.96Å; L508-L512 HydrophobicContact CD1-CD2 4.45Å; L508-L512 HydrophobicContact CD1-CG 3.99Å; L508-L512 HydrophobicContact CD2-CD1 4.43Å; L508-L512 HydrophobicContact CG-CD1 3.81Å; L508-L512 HydrophobicContact CG-CG 4.26Å; L508-L512 WeakPolarHBondContact O-CB 3.23Å; L508-L512 WeakPolarHBondContact O-CG 3.3Å; L508-L512 PolarHBondContact O-N 2.96Å |
| 509 | F | 91.1 | Very high | 89.3 | Confident | 142 Ų | 142 | 72.1 Ų | 72.1 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -49.1 | 179.3 | 178 | -97.4 | 0 | 0 | 0 | 111.6 | L505 R506 Y511 L512 V513 | L505-F509 VanDerWaalsContact O-CB 3.28Å; L505-F509 WeakPolarHBondContact O-CB 3.3Å; L505-F509 PolarHBondContact O-N 3.11Å; R506-F509 PolarHBondContact O-N 2.93Å; F509-Y511 VanDerWaalsContact C-N 3.34Å; F509-Y511 PolarHBondContact O-N 3.45Å; F509-L512 PolarHBondContact O-N 2.91Å; F509-V513 HydrophobicContact CD1-CG2 4.35Å; F509-V513 HydrophobicContact CE1-CG2 3.98Å; F509-V513 HydrophobicContact CE2-CG2 4.19Å; F509-V513 HydrophobicContact CZ-CG2 3.89Å; F509-V513 VanDerWaalsContact O-CG2 3.32Å; F509-V513 WeakPolarHBondContact O-CG2 3.32Å; F509-V513 PolarHBondContact O-N 3.4Å |
| 510 | V | 89 | Confident | 89.2 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | R506 L512 V513 D514 | R506-V510 WeakPolarHBondContact O-CG2 3.38Å; R506-V510 PolarHBondContact O-N 3.49Å; V510-L512 PolarHBondContact O-N 3.22Å; V510-V513 PolarHBondContact O-N 2.85Å; V510-D514 PolarHBondContact O-N 2.85Å |
| 511 | Y | 91.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 179.8 | 176.6 | -102.4 | 0 | 0 | 0 | 113.4 | V415 I484 K488 F489 D507 L508 F509 V513 D514 E515 | V415-Y511 WeakPolarHBondContact CG2-OH 3.47Å; I484-Y511 HydrophobicContact CG2-CD1 4.23Å; I484-Y511 HydrophobicContact CG2-CE1 3.8Å; K488-Y511 HydrophobicContact CD-CE1 3.93Å; K488-Y511 HydrophobicContact CD-CE2 4.43Å; K488-Y511 WeakPolarHBondContact CD-OH 3.34Å; K488-Y511 PolarHBondContact NZ-OH 3.43Å; F489-Y511 AromaticContact CE2-CD1 3.61Å; F489-Y511 HydrophobicContact CE2-CD1 3.61Å; F489-Y511 HydrophobicContact CE2-CE1 4.15Å; F489-Y511 HydrophobicContact CE2-CG 4.16Å; F489-Y511 AromaticContact CZ-CD1 3.88Å; F489-Y511 HydrophobicContact CZ-CD1 3.88Å; F489-Y511 AromaticContact CZ-CG 3.93Å; F489-Y511 HydrophobicContact CZ-CG 3.93Å; D507-Y511 WeakPolarHBondContact O-CB 3.11Å; D507-Y511 PolarHBondContact O-N 3.48Å; D507-Y511 VanDerWaalsContact O-N 3.09Å; L508-Y511 PolarHBondContact O-N 3.26Å; F509-Y511 VanDerWaalsContact C-N 3.34Å; F509-Y511 PolarHBondContact O-N 3.45Å; Y511-V513 VanDerWaalsContact C-N 3.33Å; Y511-D514 PolarHBondContact O-N 3.38Å; Y511-E515 HydrophobicContact CD2-CG 4.44Å; Y511-E515 HydrophobicContact CE1-CG 3.89Å; Y511-E515 HydrophobicContact CE2-CG 3.69Å; Y511-E515 VanDerWaalsContact CE2-OE1 3.24Å; Y511-E515 WeakPolarHBondContact CE2-OE1 3.23Å; Y511-E515 VanDerWaalsContact CZ-OE1 3.23Å; Y511-E515 PolarHBondContact O-N 3.4Å; Y511-E515 VanDerWaalsContact O-N 3.13Å; Y511-E515 VanDerWaalsContact OH-CG 3.23Å; Y511-E515 WeakPolarHBondContact OH-CG 3.37Å; Y511-E515 PolarHBondContact OH-OE1 3.14Å |
| 512 | L | 93.7 | Very high | 88.3 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 178.8 | -70.4 | 172.7 | 0 | 0 | 0 | 111.7 | Y418 V481 I484 L508 F509 V510 M516 | Y418-L512 HydrophobicContact CD1-CD2 4.45Å; Y418-L512 HydrophobicContact CE1-CD2 4Å; Y418-L512 WeakPolarHBondContact CE1-O 3.23Å; Y418-L512 HydrophobicContact CE2-CD2 4.27Å; Y418-L512 PolarHBondContact OH-O 2.84Å; V481-L512 HydrophobicContact CB-CD1 4.38Å; V481-L512 HydrophobicContact CG1-CD1 3.66Å; V481-L512 HydrophobicContact CG2-CD1 3.82Å; V481-L512 HydrophobicContact CG2-CD2 4.03Å; I484-L512 HydrophobicContact CD1-CD2 3.75Å; I484-L512 HydrophobicContact CG2-CD2 4.38Å; L508-L512 HydrophobicContact CD1-CD1 3.96Å; L508-L512 HydrophobicContact CD1-CD2 4.45Å; L508-L512 HydrophobicContact CD1-CG 3.99Å; L508-L512 HydrophobicContact CD2-CD1 4.43Å; L508-L512 HydrophobicContact CG-CD1 3.81Å; L508-L512 HydrophobicContact CG-CG 4.26Å; L508-L512 WeakPolarHBondContact O-CB 3.23Å; L508-L512 WeakPolarHBondContact O-CG 3.3Å; L508-L512 PolarHBondContact O-N 2.96Å; F509-L512 PolarHBondContact O-N 2.91Å; V510-L512 PolarHBondContact O-N 3.22Å; L512-M516 VanDerWaalsContact O-CB 3.24Å; L512-M516 WeakPolarHBondContact O-CB 3.37Å; L512-M516 PolarHBondContact O-N 3.38Å |
| 513 | V | 90.7 | Very high | 87.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 26% | 0.255 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | F509 V510 Y511 M516 H517 | F509-V513 HydrophobicContact CD1-CG2 4.35Å; F509-V513 HydrophobicContact CE1-CG2 3.98Å; F509-V513 HydrophobicContact CE2-CG2 4.19Å; F509-V513 HydrophobicContact CZ-CG2 3.89Å; F509-V513 VanDerWaalsContact O-CG2 3.32Å; F509-V513 WeakPolarHBondContact O-CG2 3.32Å; F509-V513 PolarHBondContact O-N 3.4Å; V510-V513 PolarHBondContact O-N 2.85Å; Y511-V513 VanDerWaalsContact C-N 3.33Å; V513-M516 WeakPolarHBondContact O-CB 3.38Å; V513-M516 PolarHBondContact O-N 2.88Å; V513-H517 VanDerWaalsContact CG1-CE1 3.41Å; V513-H517 WeakPolarHBondContact CG1-CE1 3.39Å; V513-H517 PolarHBondContact O-N 3.36Å; V513-H517 PolarHBondContact O-ND1 3Å |
| 514 | D | 89.4 | Confident | 86.9 | Confident | 87 Ų | 87 | 71 Ų | 71 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 177.8 | -71.5 | -21.6 | 0 | 0 | 0 | 112.5 | V510 Y511 M516 H517 I518 | V510-D514 PolarHBondContact O-N 2.85Å; Y511-D514 PolarHBondContact O-N 3.38Å; D514-M516 PolarHBondContact O-N 3.12Å; D514-H517 PolarHBondContact O-N 2.95Å; D514-I518 WeakPolarHBondContact O-CG1 3.21Å; D514-I518 PolarHBondContact O-N 2.93Å |
| 515 | E | 91 | Very high | 85.2 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -30.7 | 174.9 | -63.1 | -70.2 | 175.1 | 0 | 0 | 111.4 | V415 Y418 H419 Y511 I518 G519 | V415-E515 HydrophobicContact CG1-CG 4.22Å; V415-E515 WeakPolarHBondContact CG1-OE2 3.43Å; Y418-E515 HydrophobicContact CD1-CB 4.07Å; Y418-E515 HydrophobicContact CE1-CB 4.09Å; H419-E515 PolarHBondContact CD2-O 2.9Å; H419-E515 IonicContact CE1-OE2 3.11Å; H419-E515 PolarHBondContact CE1-OE2 3.32Å; H419-E515 PolarHBondContact NE2-O 2.99Å; H419-E515 IonicContact NE2-OE2 3.85Å; H419-E515 PolarHBondContact NE2-OE2 2.97Å; H419-E515 VanDerWaalsContact NE2-OE2 3.11Å; Y511-E515 HydrophobicContact CD2-CG 4.44Å; Y511-E515 HydrophobicContact CE1-CG 3.89Å; Y511-E515 HydrophobicContact CE2-CG 3.69Å; Y511-E515 VanDerWaalsContact CE2-OE1 3.24Å; Y511-E515 WeakPolarHBondContact CE2-OE1 3.23Å; Y511-E515 VanDerWaalsContact CZ-OE1 3.23Å; Y511-E515 PolarHBondContact O-N 3.4Å; Y511-E515 VanDerWaalsContact O-N 3.13Å; Y511-E515 VanDerWaalsContact OH-CG 3.23Å; Y511-E515 WeakPolarHBondContact OH-CG 3.37Å; Y511-E515 PolarHBondContact OH-OE1 3.14Å; E515-I518 PolarHBondContact O-N 3.49Å; E515-G519 PolarHBondContact O-N 3.44Å |
| 516 | M | 91.7 | Very high | 82.8 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 30% | 0.296 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 171.7 | -175.6 | -167 | 71.5 | 0 | 0 | 111.4 | Y418 I422 L512 V513 D514 I518 G519 L520 | Y418-M516 HydrophobicContact CE1-CB 4.49Å; I422-M516 HydrophobicContact CD1-CB 3.94Å; I422-M516 HydrophobicContact CD1-CG 4.08Å; I422-M516 HydrophobicContact CG1-CG 4.27Å; I422-M516 HydrophobicContact CG2-CG 4.11Å; L512-M516 VanDerWaalsContact O-CB 3.24Å; L512-M516 WeakPolarHBondContact O-CB 3.37Å; L512-M516 PolarHBondContact O-N 3.38Å; V513-M516 WeakPolarHBondContact O-CB 3.38Å; V513-M516 PolarHBondContact O-N 2.88Å; D514-M516 PolarHBondContact O-N 3.12Å; M516-I518 VanDerWaalsContact C-N 3.32Å; M516-I518 PolarHBondContact O-N 2.93Å; M516-G519 PolarHBondContact O-N 3.35Å; M516-L520 HydrophobicContact CE-CD1 4.24Å; M516-L520 HydrophobicContact CG-CD1 3.93Å; M516-L520 HydrophobicContact CG-CG 4.22Å; M516-L520 WeakPolarHBondContact O-CB 3.27Å; M516-L520 WeakPolarHBondContact O-CG 3.31Å; M516-L520 PolarHBondContact O-N 3.35Å; M516-L520 HydrophobicContact SD-CD1 4.36Å |
| 517 | H | 88.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 78.2 Ų | 78.2 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.9 | -67.6 | 134.4 | 0 | 0 | 0 | 112.1 | V513 D514 L520 K521 | V513-H517 VanDerWaalsContact CG1-CE1 3.41Å; V513-H517 WeakPolarHBondContact CG1-CE1 3.39Å; V513-H517 PolarHBondContact O-N 3.36Å; V513-H517 PolarHBondContact O-ND1 3Å; D514-H517 PolarHBondContact O-N 2.95Å; H517-L520 PolarHBondContact O-N 3.28Å; H517-K521 VanDerWaalsContact O-CB 3.23Å; H517-K521 WeakPolarHBondContact O-CB 3.17Å; H517-K521 PolarHBondContact O-N 3.31Å |
| 518 | I | 85.5 | Confident | 78 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.6 | -65 | 167.9 | 0 | 0 | 0 | 111 | D514 E515 M516 K522 | D514-I518 WeakPolarHBondContact O-CG1 3.21Å; D514-I518 PolarHBondContact O-N 2.93Å; E515-I518 PolarHBondContact O-N 3.49Å; M516-I518 VanDerWaalsContact C-N 3.32Å; M516-I518 PolarHBondContact O-N 2.93Å; I518-K522 WeakPolarHBondContact O-CG 3.32Å; I518-K522 PolarHBondContact O-N 2.96Å |
| 519 | G | 85.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H419 E515 M516 K522 V523 | H419-G519 VanDerWaalsContact CD2-CA 3.47Å; H419-G519 WeakPolarHBondContact CD2-CA 3.26Å; E515-G519 PolarHBondContact O-N 3.44Å; M516-G519 PolarHBondContact O-N 3.35Å; G519-K522 WeakPolarHBondContact O-CB 3.28Å; G519-K522 PolarHBondContact O-N 2.99Å; G519-V523 WeakPolarHBondContact O-CG2 3.45Å; G519-V523 PolarHBondContact O-N 3.26Å |
| 520 | L | 86.9 | Confident | 72.8 | Confident | 41 Ų | 41 | 84.6 Ų | 84.6 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 178.5 | -69.3 | 175.1 | 0 | 0 | 0 | 111.9 | I422 A426 M516 H517 K522 V523 F524 | I422-L520 HydrophobicContact CG2-CD2 3.59Å; I422-L520 HydrophobicContact CG2-CG 3.75Å; A426-L520 HydrophobicContact CB-CD2 3.68Å; M516-L520 HydrophobicContact CE-CD1 4.24Å; M516-L520 HydrophobicContact CG-CD1 3.93Å; M516-L520 HydrophobicContact CG-CG 4.22Å; M516-L520 WeakPolarHBondContact O-CB 3.27Å; M516-L520 WeakPolarHBondContact O-CG 3.31Å; M516-L520 PolarHBondContact O-N 3.35Å; M516-L520 HydrophobicContact SD-CD1 4.36Å; H517-L520 PolarHBondContact O-N 3.28Å; L520-K522 PolarHBondContact O-N 3.42Å; L520-V523 WeakPolarHBondContact O-CA 3.35Å; L520-V523 WeakPolarHBondContact O-CB 3.3Å; L520-V523 PolarHBondContact O-N 2.9Å; L520-F524 HydrophobicContact CB-CD2 4.22Å; L520-F524 HydrophobicContact CB-CE2 4.3Å; L520-F524 HydrophobicContact CD2-CE2 4.02Å; L520-F524 VanDerWaalsContact O-CD2 3.3Å; L520-F524 WeakPolarHBondContact O-CD2 3.4Å; L520-F524 PolarHBondContact O-N 3.24Å |
| 521 | K | 77.7 | Confident | 70 | Confident | 146 Ų | 146 | 89.8 Ų | 89.8 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56 | -41.1 | 174.4 | -174.8 | 173.5 | -177.3 | 174.8 | 0 | 111.1 | H517 V523 C525 | H517-K521 VanDerWaalsContact O-CB 3.23Å; H517-K521 WeakPolarHBondContact O-CB 3.17Å; H517-K521 PolarHBondContact O-N 3.31Å; K521-V523 VanDerWaalsContact C-N 3.29Å; K521-V523 PolarHBondContact O-N 2.91Å; K521-C525 VanDerWaalsContact CG-SG 3.54Å; K521-C525 WeakPolarHBondContact O-CB 3.45Å; K521-C525 PolarHBondContact O-N 3.35Å; K521-C525 PolarHBondContact O-SG 3.09Å |
| 522 | K | 78.7 | Confident | 67.4 | Low | 127 Ų | 127 | 90.7 Ų | 90.7 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.7 | -32.4 | 175.9 | -67.5 | 166.6 | -175.2 | 167.2 | 0 | 113.2 | I518 G519 L520 | I518-K522 WeakPolarHBondContact O-CG 3.32Å; I518-K522 PolarHBondContact O-N 2.96Å; G519-K522 WeakPolarHBondContact O-CB 3.28Å; G519-K522 PolarHBondContact O-N 2.99Å; L520-K522 PolarHBondContact O-N 3.42Å |
| 523 | V | 75.2 | Confident | 64.7 | Low | 23 Ų | 23 | 93.9 Ų | 93.9 | 14% | 0.139 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -73.7 | -49.3 | 179 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | A423 G519 L520 K521 T526 | A423-V523 HydrophobicContact CB-CG2 3.45Å; A423-V523 VanDerWaalsContact CB-CG2 3.45Å; G519-V523 WeakPolarHBondContact O-CG2 3.45Å; G519-V523 PolarHBondContact O-N 3.26Å; L520-V523 WeakPolarHBondContact O-CA 3.35Å; L520-V523 WeakPolarHBondContact O-CB 3.3Å; L520-V523 PolarHBondContact O-N 2.9Å; K521-V523 VanDerWaalsContact C-N 3.29Å; K521-V523 PolarHBondContact O-N 2.91Å; V523-T526 PolarHBondContact O-OG1 3.3Å |
| 524 | F | 70.9 | Confident | 62.2 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -85 | -18.4 | -174.2 | -65.6 | -65.5 | 0 | 0 | 0 | 114.5 | L520 T526 | L520-F524 HydrophobicContact CB-CD2 4.22Å; L520-F524 HydrophobicContact CB-CE2 4.3Å; L520-F524 HydrophobicContact CD2-CE2 4.02Å; L520-F524 VanDerWaalsContact O-CD2 3.3Å; L520-F524 WeakPolarHBondContact O-CD2 3.4Å; L520-F524 PolarHBondContact O-N 3.24Å; F524-T526 PolarHBondContact O-N 3.43Å |
| 525 | C | 55.1 | Low | 59.9 | Low | 64 Ų | 64 | 98.3 Ų | 98.3 | 43% | 0.432 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 7 | 172.6 | -76.8 | 0 | 0 | 0 | 0 | 114 | K521 R527 | K521-C525 VanDerWaalsContact CG-SG 3.54Å; K521-C525 WeakPolarHBondContact O-CB 3.45Å; K521-C525 PolarHBondContact O-N 3.35Å; K521-C525 PolarHBondContact O-SG 3.09Å; C525-R527 PolarHBondContact O-N 2.79Å |
| 526 | T | 39.3 | Very low | 58.1 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 71% | 0.712 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 30.3 | 177.6 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | V523 F524 | V523-T526 PolarHBondContact O-OG1 3.3Å; F524-T526 PolarHBondContact O-N 3.43Å |
| 527 | R | 40.7 | Very low | 56.2 | Low | 222 Ų | 222 | 101.2 Ų | 101.2 | 84% | 0.838 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | 11.1 | 164.2 | -84.9 | -165.3 | 174.1 | 178.7 | -2.4 | 116.5 | C525 F529 | C525-R527 PolarHBondContact O-N 2.79Å; R527-F529 PolarHBondContact O-N 2.67Å |
| 528 | D | 34.3 | Very low | 55 | Low | 146 Ų | 146 | 96.8 Ų | 96.8 | 78% | 0.781 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -86.1 | 103.4 | 159.5 | -74.7 | -27.5 | 0 | 0 | 0 | 108.3 | T530 | D528-T530 PolarHBondContact O-N 3.32Š|
| 529 | F | 37 | Very low | 54.6 | Low | 126 Ų | 126 | 95.6 Ų | 95.6 | 55% | 0.553 | 48% | 0.477 | S | S | * | . | trans | -33.1 | 122.6 | 171 | -70.7 | -81.6 | 0 | 0 | 0 | 110.8 | R527 K531 K1068 | R527-F529 PolarHBondContact O-N 2.67Å; F529-K531 PolarHBondContact O-N 2.91Å; F529-K1068 VanDerWaalsContact CE1-CE 3.42Å; F529-K1068 VanDerWaalsContact CE1-NZ 3.26Å | ||
| 530 | T | 37 | Very low | 54.3 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | trans | -31.5 | 114.4 | 168 | 46 | 0 | 0 | 0 | 0 | 109 | D528 I532 Y1069 | D528-T530 PolarHBondContact O-N 3.32Å; T530-I532 PolarHBondContact O-N 3.13Å; T530-I532 VanDerWaalsContact O-N 3.13Å; T530-Y1069 PolarHBondContact OG1-OH 3.08Å | ||
| 531 | K | 30.4 | Very low | 54.1 | Low | 187 Ų | 187 | 99 Ų | 99 | 81% | 0.813 | 49% | 0.492 | S | S | * | . | trans | -40.5 | 127.2 | 167.8 | -72.9 | -178.2 | 175.7 | -174 | 0 | 106.4 | F529 | F529-K531 PolarHBondContact O-N 2.91Š| ||
| 532 | I | 36.3 | Very low | 54.4 | Low | 51 Ų | 51 | 93.3 Ų | 93.3 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | trans | -43.4 | 122.4 | 170.5 | -59.1 | 163.8 | 0 | 0 | 0 | 104.7 | T530 E534 N1041 R1042 M1073 | T530-I532 PolarHBondContact O-N 3.13Å; T530-I532 VanDerWaalsContact O-N 3.13Å; I532-E534 PolarHBondContact O-N 3Å; I532-N1041 WeakPolarHBondContact CG2-OD1 3.28Å; I532-R1042 HydrophobicContact CG2-CG 4.3Å; I532-M1073 HydrophobicContact CD1-CE 3.93Å; I532-M1073 HydrophobicContact CG1-CE 4.03Å | ||
| 533 | P | 36.6 | Very low | 54.9 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -47.9 | 125.5 | 178.5 | -24 | 30.7 | 0 | 0 | 0 | 107 | N1041 | P533-N1041 PolarHBondContact O-ND2 3.11Š|
| 534 | E | 38.4 | Very low | 55.6 | Low | 166 Ų | 166 | 86.6 Ų | 86.6 | 78% | 0.776 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 129.7 | 179.4 | -72.4 | 173.9 | -175.5 | 0 | 0 | 107.4 | I532 N536 | I532-E534 PolarHBondContact O-N 3Å; E534-N536 PolarHBondContact O-N 3.16Å; E534-N536 VanDerWaalsContact O-N 3.12Å |
| 535 | P | 41.6 | Very low | 56.3 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 127.5 | -176.8 | 17.8 | -28.9 | 0 | 0 | 0 | 108.5 | L537 | P535-L537 PolarHBondContact O-N 2.96Š|
| 536 | N | 53 | Low | 57.9 | Low | 66 Ų | 66 | 80.6 Ų | 80.6 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 136.5 | -173.4 | -83.5 | -49.9 | 0 | 0 | 0 | 109.9 | E534 S538 Y1038 | E534-N536 PolarHBondContact O-N 3.16Å; E534-N536 VanDerWaalsContact O-N 3.12Å; N536-S538 PolarHBondContact O-N 3.02Å; N536-Y1038 HydrophobicContact CB-CE1 4.31Å; N536-Y1038 WeakPolarHBondContact ND2-CD2 3.44Å; N536-Y1038 WeakPolarHBondContact ND2-CE2 3.16Å; N536-Y1038 VanDerWaalsContact ND2-CZ 3.28Å; N536-Y1038 PolarHBondContact ND2-O 3Å |
| 537 | L | 51.7 | Low | 60.3 | Low | 82 Ų | 82 | 75 Ų | 75 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | trans | -38.2 | 92.7 | 172.5 | -69.3 | 170.9 | 0 | 0 | 0 | 110.2 | Q262 P535 | Q262-L537 VanDerWaalsContact NE2-CB 3.34Å; Q262-L537 PolarHBondContact NE2-O 3.41Å; P535-L537 PolarHBondContact O-N 2.96Å | ||
| 538 | S | 64 | Low | 62.6 | Low | 15 Ų | 15 | 70.3 Ų | 70.3 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -98.3 | 139 | 174.1 | -178 | 0 | 0 | 0 | 0 | 110 | Q262 N536 T542 L543 | Q262-S538 WeakPolarHBondContact CG-O 3.42Å; Q262-S538 VanDerWaalsContact NE2-C 3.31Å; Q262-S538 PolarHBondContact NE2-O 3.05Å; N536-S538 PolarHBondContact O-N 3.02Å; S538-T542 WeakPolarHBondContact OG-CB 3.35Å; S538-T542 WeakPolarHBondContact OG-CG2 3.41Å; S538-L543 WeakPolarHBondContact O-CD1 3.28Å | ||
| 539 | D | 75.3 | Confident | 65.1 | Low | 54 Ų | 54 | 64.1 Ų | 64.1 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | trans | -61 | 139.4 | 172.2 | 163.5 | 36.1 | 0 | 0 | 0 | 111.4 | G261 E541 T542 L543 | G261-D539 WeakPolarHBondContact CA-OD1 3.42Å; D539-E541 PolarHBondContact O-N 3.37Å; D539-E541 VanDerWaalsContact O-N 3.13Å; D539-E541 PolarHBondContact OD1-N 3.38Å; D539-E541 WeakPolarHBondContact OD2-CB 3.34Å; D539-T542 CarbonylContact O-C 3.48Å; D539-T542 WeakPolarHBondContact O-CA 3.44Å; D539-T542 WeakPolarHBondContact O-CB 3.27Å; D539-T542 PolarHBondContact O-N 2.92Å; D539-L543 WeakPolarHBondContact O-CD1 3.45Å; D539-L543 WeakPolarHBondContact O-CG 3.48Å; D539-L543 PolarHBondContact O-N 3.3Å | ||
| 540 | P | 79.7 | Confident | 67.5 | Low | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -42.6 | -39.4 | 171.1 | -34.9 | 37 | 0 | 0 | 0 | 115.4 | G261 L543 L544 R566 R569 N570 | G261-P540 WeakPolarHBondContact O-CD 3.41Å; P540-L543 PolarHBondContact O-N 3.03Å; P540-L544 PolarHBondContact O-N 3.13Å; P540-R566 HydrophobicContact CB-CG 4.05Å; P540-R566 WeakPolarHBondContact O-CD 3.39Å; P540-R566 PolarHBondContact O-NE 2.87Å; P540-R569 HydrophobicContact CG-CB 4.48Å; P540-N570 HydrophobicContact CG-CB 4.38Å |
| 541 | E | 83.4 | Confident | 69.9 | Low | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.6 | -38.3 | 178.8 | -170.7 | 53.9 | -144.9 | 0 | 0 | 111.9 | D539 L543 L544 R545 | D539-E541 PolarHBondContact O-N 3.37Å; D539-E541 VanDerWaalsContact O-N 3.13Å; D539-E541 PolarHBondContact OD1-N 3.38Å; D539-E541 WeakPolarHBondContact OD2-CB 3.34Å; E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 3.47Å; E541-L544 WeakPolarHBondContact O-CB 3.3Å; E541-L544 PolarHBondContact O-N 3.39Å; E541-R545 PolarHBondContact O-N 3.41Å |
| 542 | T | 84.5 | Confident | 72.2 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 173.2 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | S538 D539 R545 Y546 | S538-T542 WeakPolarHBondContact OG-CB 3.35Å; S538-T542 WeakPolarHBondContact OG-CG2 3.41Å; D539-T542 CarbonylContact O-C 3.48Å; D539-T542 WeakPolarHBondContact O-CA 3.44Å; D539-T542 WeakPolarHBondContact O-CB 3.27Å; D539-T542 PolarHBondContact O-N 2.92Å; T542-R545 WeakPolarHBondContact O-CB 3.47Å; T542-R545 PolarHBondContact O-N 3.46Å; T542-Y546 HydrophobicContact CG2-CD1 4.42Å; T542-Y546 HydrophobicContact CG2-CD2 4.28Å; T542-Y546 HydrophobicContact CG2-CE1 3.72Å; T542-Y546 HydrophobicContact CG2-CE2 3.58Å; T542-Y546 VanDerWaalsContact CG2-OH 3.25Å; T542-Y546 WeakPolarHBondContact CG2-OH 3.34Å; T542-Y546 WeakPolarHBondContact O-CD1 3.4Å; T542-Y546 VanDerWaalsContact O-CG 3.27Å; T542-Y546 PolarHBondContact O-N 2.73Å |
| 543 | L | 87.5 | Confident | 74.2 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 174.5 | -70.5 | 150 | 0 | 0 | 0 | 112.4 | S538 D539 P540 E541 R545 Y546 A547 Y562 E565 R566 R569 | S538-L543 WeakPolarHBondContact O-CD1 3.28Å; D539-L543 WeakPolarHBondContact O-CD1 3.45Å; D539-L543 WeakPolarHBondContact O-CG 3.48Å; D539-L543 PolarHBondContact O-N 3.3Å; P540-L543 PolarHBondContact O-N 3.03Å; E541-L543 VanDerWaalsContact C-N 3.3Å; E541-L543 PolarHBondContact O-N 3.47Å; L543-R545 VanDerWaalsContact C-N 3.3Å; L543-R545 PolarHBondContact O-N 2.79Å; L543-Y546 PolarHBondContact O-N 3.31Å; L543-A547 WeakPolarHBondContact O-CB 3.4Å; L543-A547 PolarHBondContact O-N 2.86Å; L543-Y562 HydrophobicContact CD2-CD1 4.1Å; L543-E565 WeakPolarHBondContact CD1-OE2 3.33Å; L543-E565 HydrophobicContact CD2-CB 4.43Å; L543-E565 HydrophobicContact CD2-CG 4.38Å; L543-E565 WeakPolarHBondContact CD2-OE2 3.35Å; L543-R566 HydrophobicContact CB-CB 4Å; L543-R566 HydrophobicContact CB-CG 4.38Å; L543-R566 HydrophobicContact CD1-CB 4.31Å; L543-R569 HydrophobicContact CD1-CG 4.25Å |
| 544 | L | 90.3 | Very high | 76.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 172 | 179.1 | 59.2 | 0 | 0 | 0 | 110.9 | P540 E541 Y546 A547 R548 Y563 D579 | P540-L544 PolarHBondContact O-N 3.13Å; E541-L544 WeakPolarHBondContact O-CB 3.3Å; E541-L544 PolarHBondContact O-N 3.39Å; L544-Y546 PolarHBondContact O-N 3.46Å; L544-A547 WeakPolarHBondContact O-CB 3.39Å; L544-A547 PolarHBondContact O-N 3.19Å; L544-R548 HydrophobicContact CD1-CG 4.3Å; L544-R548 WeakPolarHBondContact O-CG 3.45Å; L544-R548 PolarHBondContact O-N 3.44Å; L544-Y563 HydrophobicContact CD1-CE1 3.81Å; L544-D579 HydrophobicContact CD1-CB 4.07Å |
| 545 | R | 86.5 | Confident | 78.4 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.9 | -173.4 | 173.2 | 66.5 | -102 | 2.7 | 112 | E541 T542 L543 A547 R548 E549 P1008 T1009 | E541-R545 PolarHBondContact O-N 3.41Å; T542-R545 WeakPolarHBondContact O-CB 3.47Å; T542-R545 PolarHBondContact O-N 3.46Å; L543-R545 VanDerWaalsContact C-N 3.3Å; L543-R545 PolarHBondContact O-N 2.79Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 2.96Å; R545-R548 PolarHBondContact O-N 3.39Å; R545-E549 WeakPolarHBondContact O-CB 3.14Å; R545-E549 PolarHBondContact O-N 2.82Å; R545-P1008 PolarHBondContact NH2-O 3.07Å; R545-P1008 VanDerWaalsContact NH2-O 3.16Å; R545-T1009 HydrophobicContact CG-CG2 4.41Å |
| 546 | Y | 88.3 | Confident | 80.5 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 9% | 0.09 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.2 | -62.1 | -18.3 | 0 | 0 | 0 | 112.3 | T542 L543 L544 A550 Y562 T1009 I1039 | T542-Y546 HydrophobicContact CG2-CD1 4.42Å; T542-Y546 HydrophobicContact CG2-CD2 4.28Å; T542-Y546 HydrophobicContact CG2-CE1 3.72Å; T542-Y546 HydrophobicContact CG2-CE2 3.58Å; T542-Y546 VanDerWaalsContact CG2-OH 3.25Å; T542-Y546 WeakPolarHBondContact CG2-OH 3.34Å; T542-Y546 WeakPolarHBondContact O-CD1 3.4Å; T542-Y546 VanDerWaalsContact O-CG 3.27Å; T542-Y546 PolarHBondContact O-N 2.73Å; L543-Y546 PolarHBondContact O-N 3.31Å; L544-Y546 PolarHBondContact O-N 3.46Å; Y546-A550 VanDerWaalsContact O-CB 3.26Å; Y546-A550 WeakPolarHBondContact O-CB 3.43Å; Y546-A550 PolarHBondContact O-N 3.13Å; Y546-Y562 HydrophobicContact CD2-CD1 4.29Å; Y546-Y562 AromaticContact CD2-CE1 3.98Å; Y546-Y562 HydrophobicContact CD2-CE1 3.98Å; Y546-Y562 HydrophobicContact CG-CE1 4.36Å; Y546-T1009 HydrophobicContact CD1-CG2 3.94Å; Y546-T1009 HydrophobicContact CE1-CG2 3.76Å; Y546-I1039 HydrophobicContact CE1-CG2 4.23Å; Y546-I1039 HydrophobicContact CE2-CG2 3.93Å; Y546-I1039 VanDerWaalsContact OH-CG2 3.23Å; Y546-I1039 WeakPolarHBondContact OH-CG2 3.41Å |
| 547 | A | 90 | Very high | 81.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L543 L544 R545 E549 A550 E551 Y563 | L543-A547 WeakPolarHBondContact O-CB 3.4Å; L543-A547 PolarHBondContact O-N 2.86Å; L544-A547 WeakPolarHBondContact O-CB 3.39Å; L544-A547 PolarHBondContact O-N 3.19Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 2.96Å; A547-E549 PolarHBondContact O-N 3.41Å; A547-A550 CarbonylContact O-C 3.42Å; A547-A550 WeakPolarHBondContact O-CB 3.47Å; A547-A550 PolarHBondContact O-N 2.67Å; A547-A550 VanDerWaalsContact O-N 3.11Å; A547-E551 WeakPolarHBondContact O-CG 3.28Å; A547-E551 PolarHBondContact O-N 2.68Å; A547-Y563 HydrophobicContact CB-CD1 4.33Å; A547-Y563 HydrophobicContact CB-CD2 3.95Å; A547-Y563 HydrophobicContact CB-CE1 4.02Å; A547-Y563 HydrophobicContact CB-CE2 3.6Å; A547-Y563 HydrophobicContact CB-CG 4.27Å |
| 548 | R | 89.2 | Confident | 83.4 | Confident | 123 Ų | 123 | 53 Ų | 53 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 177.7 | -71 | -179.7 | 176.3 | 174 | -1.2 | 112.9 | L544 R545 E551 Q552 | L544-R548 HydrophobicContact CD1-CG 4.3Å; L544-R548 WeakPolarHBondContact O-CG 3.45Å; L544-R548 PolarHBondContact O-N 3.44Å; R545-R548 PolarHBondContact O-N 3.39Å; R548-E551 WeakPolarHBondContact O-CB 3.38Å; R548-E551 PolarHBondContact O-N 2.86Å; R548-Q552 WeakPolarHBondContact O-CB 3.42Å; R548-Q552 PolarHBondContact O-N 2.64Å; R548-Q552 VanDerWaalsContact O-N 3.09Å |
| 549 | E | 86.7 | Confident | 84.6 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 173 | -179.1 | -179.6 | 117.3 | 0 | 0 | 111.4 | R545 A547 Q552 N553 H977 L981 T1009 A1011 | R545-E549 WeakPolarHBondContact O-CB 3.14Å; R545-E549 PolarHBondContact O-N 2.82Å; A547-E549 PolarHBondContact O-N 3.41Å; E549-Q552 PolarHBondContact O-N 3.24Å; E549-N553 WeakPolarHBondContact O-CB 3.46Å; E549-N553 PolarHBondContact O-N 2.88Å; E549-N553 PolarHBondContact O-ND2 3.11Å; E549-H977 IonicContact OE2-CD2 3.79Å; E549-H977 IonicContact OE2-CE1 2.66Å; E549-H977 IonicContact OE2-NE2 3.69Å; E549-H977 PolarHBondContact OE2-NE2 3.36Å; E549-L981 HydrophobicContact CG-CD1 3.89Å; E549-T1009 VanDerWaalsContact CD-OG1 3.31Å; E549-T1009 PolarHBondContact OE1-OG1 3.36Å; E549-T1009 WeakPolarHBondContact OE2-CB 3.48Å; E549-T1009 WeakPolarHBondContact OE2-CG2 3.44Å; E549-T1009 PolarHBondContact OE2-OG1 2.76Å; E549-A1011 WeakPolarHBondContact OE1-CB 3.27Å |
| 550 | A | 86.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y546 A547 Q552 N553 Q554 M555 W558 A559 Y562 | Y546-A550 VanDerWaalsContact O-CB 3.26Å; Y546-A550 WeakPolarHBondContact O-CB 3.43Å; Y546-A550 PolarHBondContact O-N 3.13Å; A547-A550 CarbonylContact O-C 3.42Å; A547-A550 WeakPolarHBondContact O-CB 3.47Å; A547-A550 PolarHBondContact O-N 2.67Å; A547-A550 VanDerWaalsContact O-N 3.11Å; A550-Q552 VanDerWaalsContact C-N 3.32Å; A550-Q552 PolarHBondContact O-N 2.9Å; A550-N553 CarbonylContact O-C 3.54Å; A550-N553 PolarHBondContact O-N 3.46Å; A550-Q554 PolarHBondContact O-N 3.42Å; A550-M555 HydrophobicContact CB-CB 4.25Å; A550-M555 PolarHBondContact O-N 3.32Å; A550-W558 HydrophobicContact CB-CB 4.04Å; A550-A559 HydrophobicContact CB-CB 4.06Å; A550-Y562 HydrophobicContact CB-CD2 4.17Å; A550-Y562 HydrophobicContact CB-CE2 4.19Å |
| 551 | E | 87.4 | Confident | 85.8 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 172.5 | -74.3 | 171.7 | -134.8 | 0 | 0 | 111.6 | A547 R548 N553 Q554 A559 Y563 Y583 | A547-E551 WeakPolarHBondContact O-CG 3.28Å; A547-E551 PolarHBondContact O-N 2.68Å; R548-E551 WeakPolarHBondContact O-CB 3.38Å; R548-E551 PolarHBondContact O-N 2.86Å; E551-N553 VanDerWaalsContact C-N 3.34Å; E551-N553 PolarHBondContact O-N 2.9Å; E551-Q554 WeakPolarHBondContact O-CA 3.34Å; E551-Q554 PolarHBondContact O-N 3.18Å; E551-A559 HydrophobicContact CG-CB 3.85Å; E551-Y563 WeakPolarHBondContact OE1-CE2 3.23Å; E551-Y563 PolarHBondContact OE1-OH 3Å; E551-Y583 VanDerWaalsContact CD-CD2 3.44Å; E551-Y583 HydrophobicContact CG-CD2 3.6Å; E551-Y583 HydrophobicContact CG-CE2 3.71Å |
| 552 | Q | 79.5 | Confident | 86.1 | Confident | 74 Ų | 74 | 52 Ų | 52 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.4 | -35.9 | -177.3 | -171 | 69 | -32.3 | 0 | 0 | 112.6 | R548 E549 A550 Q554 I978 | R548-Q552 WeakPolarHBondContact O-CB 3.42Å; R548-Q552 PolarHBondContact O-N 2.64Å; R548-Q552 VanDerWaalsContact O-N 3.09Å; E549-Q552 PolarHBondContact O-N 3.24Å; A550-Q552 VanDerWaalsContact C-N 3.32Å; A550-Q552 PolarHBondContact O-N 2.9Å; Q552-Q554 PolarHBondContact O-N 3.33Å; Q552-I978 HydrophobicContact CG-CD1 4.21Å; Q552-I978 HydrophobicContact CG-CG2 3.97Å |
| 553 | N | 77.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 8.1 | 173 | -68.8 | -27.3 | 0 | 0 | 0 | 113.1 | E549 A550 E551 M555 | E549-N553 WeakPolarHBondContact O-CB 3.46Å; E549-N553 PolarHBondContact O-N 2.88Å; E549-N553 PolarHBondContact O-ND2 3.11Å; A550-N553 CarbonylContact O-C 3.54Å; A550-N553 PolarHBondContact O-N 3.46Å; E551-N553 VanDerWaalsContact C-N 3.34Å; E551-N553 PolarHBondContact O-N 2.9Å; N553-M555 HydrophobicContact CB-CE 3.56Å; N553-M555 HydrophobicContact CB-CG 4.25Å; N553-M555 PolarHBondContact O-N 3.2Å; N553-M555 VanDerWaalsContact O-N 3.12Å |
| 554 | Q | 81.4 | Confident | 86.6 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.9 | -178.6 | -52.5 | -177.6 | 13.5 | 0 | 0 | 115 | A550 E551 Q552 Y556 | A550-Q554 PolarHBondContact O-N 3.42Å; E551-Q554 WeakPolarHBondContact O-CA 3.34Å; E551-Q554 PolarHBondContact O-N 3.18Å; Q552-Q554 PolarHBondContact O-N 3.33Å; Q554-Y556 HydrophobicContact CB-CE1 3.99Å; Q554-Y556 HydrophobicContact CG-CE1 4.5Å; Q554-Y556 PolarHBondContact O-N 2.98Å; Q554-Y556 VanDerWaalsContact O-N 3.17Å |
| 555 | M | 81.9 | Confident | 86.4 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | trans | -88.6 | 67.6 | 178.1 | -69.7 | -169 | -75.9 | 0 | 0 | 111 | A550 N553 D557 W558 A559 | A550-M555 HydrophobicContact CB-CB 4.25Å; A550-M555 PolarHBondContact O-N 3.32Å; N553-M555 HydrophobicContact CB-CE 3.56Å; N553-M555 HydrophobicContact CB-CG 4.25Å; N553-M555 PolarHBondContact O-N 3.2Å; N553-M555 VanDerWaalsContact O-N 3.12Å; M555-D557 VanDerWaalsContact C-N 3.34Å; M555-D557 PolarHBondContact O-N 2.77Å; M555-W558 HydrophobicContact CB-CB 4.19Å; M555-W558 WeakPolarHBondContact O-CB 3.38Å; M555-W558 PolarHBondContact O-N 3Å; M555-A559 PolarHBondContact O-N 3.35Å | ||
| 556 | Y | 86.4 | Confident | 86.5 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | -170.4 | -50.6 | -38.3 | 0 | 0 | 0 | 113.9 | Q554 W558 A559 V560 R587 | Q554-Y556 HydrophobicContact CB-CE1 3.99Å; Q554-Y556 HydrophobicContact CG-CE1 4.5Å; Q554-Y556 PolarHBondContact O-N 2.98Å; Q554-Y556 VanDerWaalsContact O-N 3.17Å; Y556-W558 PolarHBondContact O-N 3.33Å; Y556-A559 PolarHBondContact O-N 3.35Å; Y556-V560 WeakPolarHBondContact O-CG2 3.28Å; Y556-V560 PolarHBondContact O-N 2.96Å; Y556-R587 VanDerWaalsContact CD1-CZ 3.47Å; Y556-R587 VanDerWaalsContact CE1-NH1 3.27Å; Y556-R587 PolarHBondContact OH-NH1 3.27Å |
| 557 | D | 82.3 | Confident | 86.6 | Confident | 125 Ų | 125 | 55.2 Ų | 55.2 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.5 | -33.4 | 175.6 | -67.9 | -25.5 | 0 | 0 | 0 | 112.5 | M555 K561 | M555-D557 VanDerWaalsContact C-N 3.34Å; M555-D557 PolarHBondContact O-N 2.77Å; D557-K561 VanDerWaalsContact O-CD 3.31Å; D557-K561 WeakPolarHBondContact O-CD 3.49Å; D557-K561 WeakPolarHBondContact O-CG 3.22Å; D557-K561 PolarHBondContact O-N 3.04Å |
| 558 | W | 83.5 | Confident | 86.3 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 22% | 0.223 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.7 | -42.5 | 176.7 | -73.1 | 107.7 | 0 | 0 | 0 | 111.3 | A550 M555 Y556 V560 K561 Y562 R1042 | A550-W558 HydrophobicContact CB-CB 4.04Å; M555-W558 HydrophobicContact CB-CB 4.19Å; M555-W558 WeakPolarHBondContact O-CB 3.38Å; M555-W558 PolarHBondContact O-N 3Å; Y556-W558 PolarHBondContact O-N 3.33Å; W558-V560 PolarHBondContact O-N 2.88Å; W558-K561 HydrophobicContact CE3-CD 4.22Å; W558-K561 HydrophobicContact CZ3-CD 4.28Å; W558-K561 PolarHBondContact O-N 3.31Å; W558-K561 VanDerWaalsContact O-N 3.16Å; W558-Y562 HydrophobicContact CB-CD2 4.34Å; W558-Y562 HydrophobicContact CB-CE2 3.96Å; W558-Y562 HydrophobicContact CE3-CE2 4.45Å; W558-Y562 WeakPolarHBondContact O-CD2 3.28Å; W558-Y562 PolarHBondContact O-N 2.83Å; W558-R1042 HydrophobicContact CH2-CB 3.32Å; W558-R1042 HydrophobicContact CH2-CG 4.05Å; W558-R1042 HydrophobicContact CZ2-CB 3.96Å; W558-R1042 HydrophobicContact CZ3-CB 4.22Å |
| 559 | A | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -50.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A550 E551 M555 Y556 K561 Y562 Y563 Y583 | A550-A559 HydrophobicContact CB-CB 4.06Å; E551-A559 HydrophobicContact CG-CB 3.85Å; M555-A559 PolarHBondContact O-N 3.35Å; Y556-A559 PolarHBondContact O-N 3.35Å; A559-K561 VanDerWaalsContact C-N 3.34Å; A559-K561 PolarHBondContact O-N 3.47Å; A559-Y562 PolarHBondContact O-N 2.92Å; A559-Y562 VanDerWaalsContact O-N 3.17Å; A559-Y563 WeakPolarHBondContact O-CD2 3.5Å; A559-Y563 PolarHBondContact O-N 2.88Å; A559-Y583 HydrophobicContact CB-CE2 3.99Å |
| 560 | V | 92.1 | Very high | 85.8 | Confident | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | Y556 W558 Y562 Y563 Q564 F580 Y583 | Y556-V560 WeakPolarHBondContact O-CG2 3.28Å; Y556-V560 PolarHBondContact O-N 2.96Å; W558-V560 PolarHBondContact O-N 2.88Å; V560-Y562 VanDerWaalsContact C-N 3.34Å; V560-Y562 PolarHBondContact O-N 2.94Å; V560-Y563 PolarHBondContact O-N 2.92Å; V560-Q564 HydrophobicContact CG1-CG 4.25Å; V560-Q564 WeakPolarHBondContact O-CB 3.37Å; V560-Q564 VanDerWaalsContact O-CG 3.25Å; V560-Q564 WeakPolarHBondContact O-CG 3.15Å; V560-Q564 PolarHBondContact O-N 3.36Å; V560-F580 HydrophobicContact CG1-CZ 4.29Å; V560-Y583 HydrophobicContact CG2-CE1 3.7Å |
| 561 | K | 87.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 177.2 | -76 | 169 | -170.9 | 158.8 | 0 | 112.2 | D557 W558 A559 Q564 E565 | D557-K561 VanDerWaalsContact O-CD 3.31Å; D557-K561 WeakPolarHBondContact O-CD 3.49Å; D557-K561 WeakPolarHBondContact O-CG 3.22Å; D557-K561 PolarHBondContact O-N 3.04Å; W558-K561 HydrophobicContact CE3-CD 4.22Å; W558-K561 HydrophobicContact CZ3-CD 4.28Å; W558-K561 PolarHBondContact O-N 3.31Å; W558-K561 VanDerWaalsContact O-N 3.16Å; A559-K561 VanDerWaalsContact C-N 3.34Å; A559-K561 PolarHBondContact O-N 3.47Å; K561-Q564 PolarHBondContact O-N 3.35Å; K561-E565 VanDerWaalsContact O-CB 3.22Å; K561-E565 WeakPolarHBondContact O-CB 3.47Å; K561-E565 PolarHBondContact O-N 2.85Å |
| 562 | Y | 89.1 | Confident | 85.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 178.1 | -69.6 | -52.5 | 0 | 0 | 0 | 112 | L543 Y546 A550 W558 A559 V560 E565 R566 N1040 | L543-Y562 HydrophobicContact CD2-CD1 4.1Å; Y546-Y562 HydrophobicContact CD2-CD1 4.29Å; Y546-Y562 AromaticContact CD2-CE1 3.98Å; Y546-Y562 HydrophobicContact CD2-CE1 3.98Å; Y546-Y562 HydrophobicContact CG-CE1 4.36Å; A550-Y562 HydrophobicContact CB-CD2 4.17Å; A550-Y562 HydrophobicContact CB-CE2 4.19Å; W558-Y562 HydrophobicContact CB-CD2 4.34Å; W558-Y562 HydrophobicContact CB-CE2 3.96Å; W558-Y562 HydrophobicContact CE3-CE2 4.45Å; W558-Y562 WeakPolarHBondContact O-CD2 3.28Å; W558-Y562 PolarHBondContact O-N 2.83Å; A559-Y562 PolarHBondContact O-N 2.92Å; A559-Y562 VanDerWaalsContact O-N 3.17Å; V560-Y562 VanDerWaalsContact C-N 3.34Å; V560-Y562 PolarHBondContact O-N 2.94Å; Y562-E565 PolarHBondContact O-N 3.05Å; Y562-R566 VanDerWaalsContact O-CB 3.28Å; Y562-R566 WeakPolarHBondContact O-CB 3.44Å; Y562-R566 PolarHBondContact O-N 2.88Å; Y562-N1040 PolarHBondContact OH-ND2 3.06Å |
| 563 | Y | 93.4 | Very high | 86.2 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.4 | -77.7 | -63.3 | 0 | 0 | 0 | 112.7 | L544 A547 E551 A559 V560 E565 R566 I567 D579 F580 Y583 | L544-Y563 HydrophobicContact CD1-CE1 3.81Å; A547-Y563 HydrophobicContact CB-CD1 4.33Å; A547-Y563 HydrophobicContact CB-CD2 3.95Å; A547-Y563 HydrophobicContact CB-CE1 4.02Å; A547-Y563 HydrophobicContact CB-CE2 3.6Å; A547-Y563 HydrophobicContact CB-CG 4.27Å; E551-Y563 WeakPolarHBondContact OE1-CE2 3.23Å; E551-Y563 PolarHBondContact OE1-OH 3Å; A559-Y563 WeakPolarHBondContact O-CD2 3.5Å; A559-Y563 PolarHBondContact O-N 2.88Å; V560-Y563 PolarHBondContact O-N 2.92Å; Y563-E565 VanDerWaalsContact C-N 3.34Å; Y563-E565 PolarHBondContact O-N 3.22Å; Y563-R566 WeakPolarHBondContact O-CB 3.26Å; Y563-R566 PolarHBondContact O-N 3.15Å; Y563-I567 VanDerWaalsContact O-CG1 3.32Å; Y563-I567 WeakPolarHBondContact O-CG1 3.39Å; Y563-I567 PolarHBondContact O-N 3.46Å; Y563-D579 HydrophobicContact CE1-CB 4.1Å; Y563-F580 HydrophobicContact CD1-CB 3.99Å; Y563-F580 HydrophobicContact CD1-CD2 4.14Å; Y563-F580 HydrophobicContact CD1-CG 4.41Å; Y563-F580 AromaticContact CD2-CD2 3.68Å; Y563-F580 HydrophobicContact CD2-CD2 3.68Å; Y563-F580 HydrophobicContact CD2-CE2 4.12Å; Y563-F580 HydrophobicContact CG-CB 4.15Å; Y563-F580 AromaticContact CG-CD2 3.45Å; Y563-F580 HydrophobicContact CG-CD2 3.45Å; Y563-F580 VanDerWaalsContact CG-CD2 3.45Å; Y563-F580 HydrophobicContact CG-CE2 4.11Å; Y563-F580 HydrophobicContact CG-CG 4.06Å; Y563-Y583 HydrophobicContact CD2-CD1 4.19Å; Y563-Y583 HydrophobicContact CD2-CD2 4.49Å; Y563-Y583 AromaticContact CD2-CG 3.99Å; Y563-Y583 HydrophobicContact CD2-CG 3.99Å; Y563-Y583 VanDerWaalsContact CE2-CB 3.45Å; Y563-Y583 HydrophobicContact CE2-CD1 4.2Å; Y563-Y583 AromaticContact CE2-CD2 3.82Å; Y563-Y583 HydrophobicContact CE2-CD2 3.82Å; Y563-Y583 AromaticContact CE2-CG 3.54Å; Y563-Y583 HydrophobicContact CE2-CG 3.54Å |
| 564 | Q | 90.9 | Very high | 86.7 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.6 | -73.4 | 174.8 | -9.3 | 0 | 0 | 111.9 | V560 K561 I567 A568 F580 | V560-Q564 HydrophobicContact CG1-CG 4.25Å; V560-Q564 WeakPolarHBondContact O-CB 3.37Å; V560-Q564 VanDerWaalsContact O-CG 3.25Å; V560-Q564 WeakPolarHBondContact O-CG 3.15Å; V560-Q564 PolarHBondContact O-N 3.36Å; K561-Q564 PolarHBondContact O-N 3.35Å; Q564-I567 PolarHBondContact O-N 2.92Å; Q564-A568 WeakPolarHBondContact O-CB 3.41Å; Q564-A568 PolarHBondContact O-N 3.27Å; Q564-F580 HydrophobicContact CG-CE1 4.46Å; Q564-F580 HydrophobicContact CG-CZ 4.31Å |
| 565 | E | 85.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 52 Ų | 52 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.1 | -161.1 | -82.1 | -169.7 | 0 | 0 | 109.7 | L543 K561 Y562 Y563 I567 A568 R569 | L543-E565 WeakPolarHBondContact CD1-OE2 3.33Å; L543-E565 HydrophobicContact CD2-CB 4.43Å; L543-E565 HydrophobicContact CD2-CG 4.38Å; L543-E565 WeakPolarHBondContact CD2-OE2 3.35Å; K561-E565 VanDerWaalsContact O-CB 3.22Å; K561-E565 WeakPolarHBondContact O-CB 3.47Å; K561-E565 PolarHBondContact O-N 2.85Å; Y562-E565 PolarHBondContact O-N 3.05Å; Y563-E565 VanDerWaalsContact C-N 3.34Å; Y563-E565 PolarHBondContact O-N 3.22Å; E565-I567 VanDerWaalsContact C-N 3.31Å; E565-I567 PolarHBondContact O-N 2.93Å; E565-A568 CarbonylContact O-C 3.43Å; E565-A568 WeakPolarHBondContact O-CA 3.38Å; E565-A568 WeakPolarHBondContact O-CB 3.39Å; E565-A568 PolarHBondContact O-N 3.2Å; E565-R569 WeakPolarHBondContact O-CG 3.37Å; E565-R569 PolarHBondContact O-N 3.25Å; E565-R569 IonicContact OE1-CZ 3.42Å; E565-R569 IonicContact OE1-NE 2.69Å; E565-R569 PolarHBondContact OE1-NE 2.97Å; E565-R569 IonicContact OE1-NH2 2.65Å; E565-R569 PolarHBondContact OE1-NH2 3.42Å; E565-R569 VanDerWaalsContact OE2-CG 3.23Å; E565-R569 WeakPolarHBondContact OE2-CG 3.45Å; E565-R569 IonicContact OE2-NE 3.65Å |
| 566 | R | 88.9 | Confident | 87.8 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 177.4 | -176.7 | 171.3 | -179.6 | -125.8 | 4.2 | 112.6 | P540 L543 Y562 Y563 R569 N570 C576 D579 | P540-R566 HydrophobicContact CB-CG 4.05Å; P540-R566 WeakPolarHBondContact O-CD 3.39Å; P540-R566 PolarHBondContact O-NE 2.87Å; L543-R566 HydrophobicContact CB-CB 4Å; L543-R566 HydrophobicContact CB-CG 4.38Å; L543-R566 HydrophobicContact CD1-CB 4.31Å; Y562-R566 VanDerWaalsContact O-CB 3.28Å; Y562-R566 WeakPolarHBondContact O-CB 3.44Å; Y562-R566 PolarHBondContact O-N 2.88Å; Y563-R566 WeakPolarHBondContact O-CB 3.26Å; Y563-R566 PolarHBondContact O-N 3.15Å; R566-R569 PolarHBondContact O-N 3.1Å; R566-N570 PolarHBondContact O-N 3.16Å; R566-N570 VanDerWaalsContact O-N 3.11Å; R566-C576 HydrophobicContact CG-CB 4.47Å; R566-D579 IonicContact CZ-OD2 2.78Å; R566-D579 IonicContact NH1-OD2 2.82Å; R566-D579 PolarHBondContact NH1-OD2 3.32Å; R566-D579 IonicContact NH2-OD2 3.58Å; R566-D579 PolarHBondContact NH2-OD2 3.47Å |
| 567 | I | 89.2 | Confident | 88.2 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 174 | -71.6 | 163.2 | 0 | 0 | 0 | 111 | Y563 Q564 E565 R569 N570 P571 C576 W577 F580 | Y563-I567 VanDerWaalsContact O-CG1 3.32Å; Y563-I567 WeakPolarHBondContact O-CG1 3.39Å; Y563-I567 PolarHBondContact O-N 3.46Å; Q564-I567 PolarHBondContact O-N 2.92Å; E565-I567 VanDerWaalsContact C-N 3.31Å; E565-I567 PolarHBondContact O-N 2.93Å; I567-R569 VanDerWaalsContact C-N 3.26Å; I567-R569 PolarHBondContact O-N 3.41Å; I567-N570 CarbonylContact O-C 3.51Å; I567-N570 VanDerWaalsContact O-C 3.23Å; I567-N570 PolarHBondContact O-N 3.39Å; I567-P571 VanDerWaalsContact O-CA 3.31Å; I567-P571 WeakPolarHBondContact O-CA 3.44Å; I567-P571 WeakPolarHBondContact O-CD 3.21Å; I567-P571 WeakPolarHBondContact O-CG 3.32Å; I567-C576 HydrophobicContact CG1-CB 4.08Å; I567-W577 HydrophobicContact CD1-CD2 4.06Å; I567-W577 HydrophobicContact CD1-CE3 3.72Å; I567-W577 HydrophobicContact CD1-CH2 4.14Å; I567-W577 HydrophobicContact CD1-CZ2 4.5Å; I567-W577 HydrophobicContact CD1-CZ3 3.75Å; I567-W577 HydrophobicContact CG1-CD2 4.32Å; I567-W577 HydrophobicContact CG1-CE3 4.47Å; I567-W577 HydrophobicContact CG2-CD2 4.34Å; I567-W577 HydrophobicContact CG2-CH2 3.66Å; I567-W577 HydrophobicContact CG2-CZ2 3.27Å; I567-W577 HydrophobicContact CG2-CZ3 4.36Å; I567-F580 HydrophobicContact CD1-CB 4Å; I567-F580 HydrophobicContact CD1-CD1 3.45Å; I567-F580 VanDerWaalsContact CD1-CD1 3.45Å; I567-F580 HydrophobicContact CD1-CE1 4.18Å; I567-F580 HydrophobicContact CD1-CG 4.03Å |
| 568 | A | 83.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 60% | 0.603 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64 | -30.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q564 E565 | Q564-A568 WeakPolarHBondContact O-CB 3.41Å; Q564-A568 PolarHBondContact O-N 3.27Å; E565-A568 CarbonylContact O-C 3.43Å; E565-A568 WeakPolarHBondContact O-CA 3.38Å; E565-A568 WeakPolarHBondContact O-CB 3.39Å; E565-A568 PolarHBondContact O-N 3.2Å |
| 569 | R | 82.8 | Confident | 89.4 | Confident | 83 Ų | 83 | 38.1 Ų | 38.1 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -74.1 | -39 | 176 | -65 | -59.5 | -176.8 | -176.6 | -0.8 | 113 | P540 L543 E565 R566 I567 | P540-R569 HydrophobicContact CG-CB 4.48Å; L543-R569 HydrophobicContact CD1-CG 4.25Å; E565-R569 WeakPolarHBondContact O-CG 3.37Å; E565-R569 PolarHBondContact O-N 3.25Å; E565-R569 IonicContact OE1-CZ 3.42Å; E565-R569 IonicContact OE1-NE 2.69Å; E565-R569 PolarHBondContact OE1-NE 2.97Å; E565-R569 IonicContact OE1-NH2 2.65Å; E565-R569 PolarHBondContact OE1-NH2 3.42Å; E565-R569 VanDerWaalsContact OE2-CG 3.23Å; E565-R569 WeakPolarHBondContact OE2-CG 3.45Å; E565-R569 IonicContact OE2-NE 3.65Å; R566-R569 PolarHBondContact O-N 3.1Å; I567-R569 VanDerWaalsContact C-N 3.26Å; I567-R569 PolarHBondContact O-N 3.41Å |
| 570 | N | 82.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | trans | -132 | 74.3 | 177.9 | -166.3 | -5.8 | 0 | 0 | 0 | 112 | P540 R566 I567 S572 S573 | P540-N570 HydrophobicContact CG-CB 4.38Å; R566-N570 PolarHBondContact O-N 3.16Å; R566-N570 VanDerWaalsContact O-N 3.11Å; I567-N570 CarbonylContact O-C 3.51Å; I567-N570 VanDerWaalsContact O-C 3.23Å; I567-N570 PolarHBondContact O-N 3.39Å; N570-S572 PolarHBondContact O-N 2.89Å; N570-S572 VanDerWaalsContact O-N 3.12Å; N570-S572 PolarHBondContact OD1-OG 3.22Å; N570-S573 WeakPolarHBondContact ND2-CB 3.43Å; N570-S573 PolarHBondContact O-N 3.2Å; N570-S573 VanDerWaalsContact O-N 3.13Å; N570-S573 PolarHBondContact OD1-N 2.89Å | ||
| 571 | P | 84.7 | Confident | 89.8 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22 | -178 | -22.3 | 33.4 | 0 | 0 | 0 | 113.5 | I567 I603 | I567-P571 VanDerWaalsContact O-CA 3.31Å; I567-P571 WeakPolarHBondContact O-CA 3.44Å; I567-P571 WeakPolarHBondContact O-CD 3.21Å; I567-P571 WeakPolarHBondContact O-CG 3.32Å; P571-I603 WeakPolarHBondContact O-CD1 3.31Å |
| 572 | S | 86.8 | Confident | 90.2 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.3 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | N570 P574 I603 | N570-S572 PolarHBondContact O-N 2.89Å; N570-S572 VanDerWaalsContact O-N 3.12Å; N570-S572 PolarHBondContact OD1-OG 3.22Å; S572-P574 WeakPolarHBondContact O-CD 3Å; S572-I603 VanDerWaalsContact O-CG2 3.23Å; S572-I603 WeakPolarHBondContact O-CG2 3.45Å |
| 573 | S | 90.2 | Very high | 90.4 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -93.6 | 117.2 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | N570 A575 C576 | N570-S573 WeakPolarHBondContact ND2-CB 3.43Å; N570-S573 PolarHBondContact O-N 3.2Å; N570-S573 VanDerWaalsContact O-N 3.13Å; N570-S573 PolarHBondContact OD1-N 2.89Å; S573-A575 PolarHBondContact O-N 3.46Å; S573-C576 PolarHBondContact O-N 3.04Å | ||
| 574 | P | 90.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -29.1 | 177 | 29.9 | -36.3 | 0 | 0 | 0 | 111.5 | S572 C576 W577 L578 S600 I603 D604 | S572-P574 WeakPolarHBondContact O-CD 3Å; P574-C576 VanDerWaalsContact C-N 3.31Å; P574-C576 PolarHBondContact O-N 3.07Å; P574-W577 PolarHBondContact O-N 2.9Å; P574-L578 WeakPolarHBondContact O-CG 3Å; P574-L578 PolarHBondContact O-N 3.21Å; P574-S600 WeakPolarHBondContact CA-OG 3.49Å; P574-S600 VanDerWaalsContact CB-OG 3.29Å; P574-S600 WeakPolarHBondContact CB-OG 3.4Å; P574-S600 PolarHBondContact O-OG 3.39Å; P574-I603 HydrophobicContact CB-CB 4.4Å; P574-I603 HydrophobicContact CB-CG2 4.37Å; P574-D604 HydrophobicContact CB-CB 4.14Å; P574-D604 HydrophobicContact CG-CB 3.91Å |
| 575 | A | 91.6 | Very high | 90.5 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.1 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S573 W577 L578 D579 | S573-A575 PolarHBondContact O-N 3.46Å; A575-W577 VanDerWaalsContact C-N 3.32Å; A575-W577 PolarHBondContact O-N 3.22Å; A575-L578 PolarHBondContact O-N 3.04Å; A575-D579 PolarHBondContact O-N 3.44Å |
| 576 | C | 93.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 178.3 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | R566 I567 S573 P574 F580 | R566-C576 HydrophobicContact CG-CB 4.47Å; I567-C576 HydrophobicContact CG1-CB 4.08Å; S573-C576 PolarHBondContact O-N 3.04Å; P574-C576 VanDerWaalsContact C-N 3.31Å; P574-C576 PolarHBondContact O-N 3.07Å; C576-F580 PolarHBondContact O-N 2.99Å |
| 577 | W | 95.5 | Very high | 90.6 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.1 | -37.7 | 174.3 | -71.2 | 104 | 0 | 0 | 0 | 112.3 | I567 P574 A575 F580 G581 R599 I603 | I567-W577 HydrophobicContact CD1-CD2 4.06Å; I567-W577 HydrophobicContact CD1-CE3 3.72Å; I567-W577 HydrophobicContact CD1-CH2 4.14Å; I567-W577 HydrophobicContact CD1-CZ2 4.5Å; I567-W577 HydrophobicContact CD1-CZ3 3.75Å; I567-W577 HydrophobicContact CG1-CD2 4.32Å; I567-W577 HydrophobicContact CG1-CE3 4.47Å; I567-W577 HydrophobicContact CG2-CD2 4.34Å; I567-W577 HydrophobicContact CG2-CH2 3.66Å; I567-W577 HydrophobicContact CG2-CZ2 3.27Å; I567-W577 HydrophobicContact CG2-CZ3 4.36Å; P574-W577 PolarHBondContact O-N 2.9Å; A575-W577 VanDerWaalsContact C-N 3.32Å; A575-W577 PolarHBondContact O-N 3.22Å; W577-F580 PolarHBondContact O-N 3.27Å; W577-G581 PolarHBondContact O-N 3.12Å; W577-R599 HydrophobicContact CD2-CB 3.84Å; W577-R599 HydrophobicContact CE3-CB 4.03Å; W577-R599 HydrophobicContact CG-CB 4.17Å; W577-R599 VanDerWaalsContact CZ3-CD 3.44Å; W577-I603 VanDerWaalsContact CD1-CD1 3.44Å |
| 578 | L | 96 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.5 | -72.7 | 173.9 | 0 | 0 | 0 | 111.8 | P574 A575 F580 G581 V582 F597 S600 T609 G610 L613 | P574-L578 WeakPolarHBondContact O-CG 3Å; P574-L578 PolarHBondContact O-N 3.21Å; A575-L578 PolarHBondContact O-N 3.04Å; L578-F580 VanDerWaalsContact C-N 3.27Å; L578-F580 PolarHBondContact O-N 3.41Å; L578-G581 PolarHBondContact O-N 2.93Å; L578-G581 VanDerWaalsContact O-N 3.12Å; L578-V582 VanDerWaalsContact O-CG2 3.28Å; L578-V582 WeakPolarHBondContact O-CG2 3.36Å; L578-V582 PolarHBondContact O-N 3.4Å; L578-F597 HydrophobicContact CD2-CD1 3.6Å; L578-F597 HydrophobicContact CD2-CE1 3.91Å; L578-F597 WeakPolarHBondContact O-CE1 3.39Å; L578-S600 WeakPolarHBondContact CG-OG 3.39Å; L578-T609 HydrophobicContact CD1-CG2 4.11Å; L578-G610 VanDerWaalsContact CD2-CA 3.48Å; L578-L613 HydrophobicContact CD2-CD1 3.98Å |
| 579 | D | 94.5 | Very high | 91 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -34.7 | -178.4 | -65.9 | -34.9 | 0 | 0 | 0 | 111.8 | L544 Y563 R566 A575 V582 Y583 R815 | L544-D579 HydrophobicContact CD1-CB 4.07Å; Y563-D579 HydrophobicContact CE1-CB 4.1Å; R566-D579 IonicContact CZ-OD2 2.78Å; R566-D579 IonicContact NH1-OD2 2.82Å; R566-D579 PolarHBondContact NH1-OD2 3.32Å; R566-D579 IonicContact NH2-OD2 3.58Å; R566-D579 PolarHBondContact NH2-OD2 3.47Å; A575-D579 PolarHBondContact O-N 3.44Å; D579-V582 PolarHBondContact O-N 2.96Å; D579-Y583 PolarHBondContact O-N 2.97Å; D579-R815 IonicContact OD1-CZ 3.57Å; D579-R815 IonicContact OD1-NH1 2.65Å; D579-R815 PolarHBondContact OD1-NH1 3.23Å; D579-R815 IonicContact OD1-NH2 2.68Å |
| 580 | F | 95.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -36.9 | 173.9 | -169.3 | -150.8 | 0 | 0 | 0 | 112.5 | V560 Y563 Q564 I567 C576 W577 L578 Y583 Y584 C596 | V560-F580 HydrophobicContact CG1-CZ 4.29Å; Y563-F580 HydrophobicContact CD1-CB 3.99Å; Y563-F580 HydrophobicContact CD1-CD2 4.14Å; Y563-F580 HydrophobicContact CD1-CG 4.41Å; Y563-F580 AromaticContact CD2-CD2 3.68Å; Y563-F580 HydrophobicContact CD2-CD2 3.68Å; Y563-F580 HydrophobicContact CD2-CE2 4.12Å; Y563-F580 HydrophobicContact CG-CB 4.15Å; Y563-F580 AromaticContact CG-CD2 3.45Å; Y563-F580 HydrophobicContact CG-CD2 3.45Å; Y563-F580 VanDerWaalsContact CG-CD2 3.45Å; Y563-F580 HydrophobicContact CG-CE2 4.11Å; Y563-F580 HydrophobicContact CG-CG 4.06Å; Q564-F580 HydrophobicContact CG-CE1 4.46Å; Q564-F580 HydrophobicContact CG-CZ 4.31Å; I567-F580 HydrophobicContact CD1-CB 4Å; I567-F580 HydrophobicContact CD1-CD1 3.45Å; I567-F580 VanDerWaalsContact CD1-CD1 3.45Å; I567-F580 HydrophobicContact CD1-CE1 4.18Å; I567-F580 HydrophobicContact CD1-CG 4.03Å; C576-F580 PolarHBondContact O-N 2.99Å; W577-F580 PolarHBondContact O-N 3.27Å; L578-F580 VanDerWaalsContact C-N 3.27Å; L578-F580 PolarHBondContact O-N 3.41Å; F580-Y583 AromaticContact CD2-CD1 3.89Å; F580-Y583 HydrophobicContact CD2-CD1 3.89Å; F580-Y583 AromaticContact CE2-CD1 3.85Å; F580-Y583 HydrophobicContact CE2-CD1 3.85Å; F580-Y583 HydrophobicContact CE2-CE1 4.23Å; F580-Y583 WeakPolarHBondContact O-CB 3.34Å; F580-Y583 PolarHBondContact O-N 2.92Å; F580-Y584 HydrophobicContact CD1-CE2 4.04Å; F580-Y584 HydrophobicContact CD2-CD2 4.18Å; F580-Y584 AromaticContact CD2-CE2 3.84Å; F580-Y584 HydrophobicContact CD2-CE2 3.84Å; F580-Y584 AromaticContact CE1-CE2 3.62Å; F580-Y584 HydrophobicContact CE1-CE2 3.62Å; F580-Y584 HydrophobicContact CE2-CD2 4.14Å; F580-Y584 AromaticContact CE2-CE2 3.4Å; F580-Y584 HydrophobicContact CE2-CE2 3.4Å; F580-Y584 VanDerWaalsContact CE2-CE2 3.4Å; F580-Y584 AromaticContact CE2-CZ 3.72Å; F580-Y584 HydrophobicContact CG-CD2 4.47Å; F580-Y584 HydrophobicContact CG-CE2 4.16Å; F580-Y584 HydrophobicContact CZ-CD2 4.37Å; F580-Y584 AromaticContact CZ-CE2 3.3Å; F580-Y584 HydrophobicContact CZ-CE2 3.3Å; F580-Y584 AromaticContact CZ-CZ 3.56Å; F580-Y584 VanDerWaalsContact CZ-OH 3.23Å; F580-Y584 WeakPolarHBondContact CZ-OH 3.07Å; F580-Y584 VanDerWaalsContact O-CD2 3.32Å; F580-Y584 WeakPolarHBondContact O-CD2 3.19Å; F580-Y584 PolarHBondContact O-N 3.39Å; F580-C596 VanDerWaalsContact CD1-SG 3.57Å |
| 581 | G | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W577 L578 Y583 Y584 L585 | W577-G581 PolarHBondContact O-N 3.12Å; L578-G581 PolarHBondContact O-N 2.93Å; L578-G581 VanDerWaalsContact O-N 3.12Å; G581-Y583 VanDerWaalsContact C-N 3.3Å; G581-Y583 PolarHBondContact O-N 2.98Å; G581-Y584 PolarHBondContact O-N 3.44Å; G581-Y584 VanDerWaalsContact O-N 3.11Å; G581-L585 WeakPolarHBondContact O-CG 2.93Å; G581-L585 PolarHBondContact O-N 2.85Å |
| 582 | V | 95.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | L578 D579 L585 G586 F597 L613 R815 N816 | L578-V582 VanDerWaalsContact O-CG2 3.28Å; L578-V582 WeakPolarHBondContact O-CG2 3.36Å; L578-V582 PolarHBondContact O-N 3.4Å; D579-V582 PolarHBondContact O-N 2.96Å; V582-L585 PolarHBondContact O-N 2.64Å; V582-G586 PolarHBondContact O-N 2.9Å; V582-G586 VanDerWaalsContact O-N 3.08Å; V582-F597 HydrophobicContact CG2-CE1 4.48Å; V582-F597 HydrophobicContact CG2-CZ 4.38Å; V582-L613 HydrophobicContact CG2-CD1 3.94Å; V582-R815 HydrophobicContact CG2-CB 4.24Å; V582-R815 VanDerWaalsContact CG2-CD 3.47Å; V582-R815 HydrophobicContact CG2-CG 4.44Å; V582-N816 PolarHBondContact O-ND2 3.32Å; V582-N816 VanDerWaalsContact O-ND2 3.08Å |
| 583 | Y | 93.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 170.9 | 162.2 | -101.1 | 0 | 0 | 0 | 112 | E551 A559 V560 Y563 D579 F580 G581 L585 G586 R587 | E551-Y583 VanDerWaalsContact CD-CD2 3.44Å; E551-Y583 HydrophobicContact CG-CD2 3.6Å; E551-Y583 HydrophobicContact CG-CE2 3.71Å; A559-Y583 HydrophobicContact CB-CE2 3.99Å; V560-Y583 HydrophobicContact CG2-CE1 3.7Å; Y563-Y583 HydrophobicContact CD2-CD1 4.19Å; Y563-Y583 HydrophobicContact CD2-CD2 4.49Å; Y563-Y583 AromaticContact CD2-CG 3.99Å; Y563-Y583 HydrophobicContact CD2-CG 3.99Å; Y563-Y583 VanDerWaalsContact CE2-CB 3.45Å; Y563-Y583 HydrophobicContact CE2-CD1 4.2Å; Y563-Y583 AromaticContact CE2-CD2 3.82Å; Y563-Y583 HydrophobicContact CE2-CD2 3.82Å; Y563-Y583 AromaticContact CE2-CG 3.54Å; Y563-Y583 HydrophobicContact CE2-CG 3.54Å; D579-Y583 PolarHBondContact O-N 2.97Å; F580-Y583 AromaticContact CD2-CD1 3.89Å; F580-Y583 HydrophobicContact CD2-CD1 3.89Å; F580-Y583 AromaticContact CE2-CD1 3.85Å; F580-Y583 HydrophobicContact CE2-CD1 3.85Å; F580-Y583 HydrophobicContact CE2-CE1 4.23Å; F580-Y583 WeakPolarHBondContact O-CB 3.34Å; F580-Y583 PolarHBondContact O-N 2.92Å; G581-Y583 VanDerWaalsContact C-N 3.3Å; G581-Y583 PolarHBondContact O-N 2.98Å; Y583-L585 VanDerWaalsContact C-N 3.3Å; Y583-L585 PolarHBondContact O-N 3.42Å; Y583-G586 PolarHBondContact O-N 3.15Å; Y583-R587 HydrophobicContact CE1-CG 4.5Å; Y583-R587 HydrophobicContact CE2-CG 4.21Å; Y583-R587 PolarHBondContact O-N 3.39Å |
| 584 | Y | 94.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 13% | 0.129 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 177.4 | -77.9 | -60.7 | 0 | 0 | 0 | 112.9 | F580 G581 R587 N588 D589 Q592 | F580-Y584 HydrophobicContact CD1-CE2 4.04Å; F580-Y584 HydrophobicContact CD2-CD2 4.18Å; F580-Y584 AromaticContact CD2-CE2 3.84Å; F580-Y584 HydrophobicContact CD2-CE2 3.84Å; F580-Y584 AromaticContact CE1-CE2 3.62Å; F580-Y584 HydrophobicContact CE1-CE2 3.62Å; F580-Y584 HydrophobicContact CE2-CD2 4.14Å; F580-Y584 AromaticContact CE2-CE2 3.4Å; F580-Y584 HydrophobicContact CE2-CE2 3.4Å; F580-Y584 VanDerWaalsContact CE2-CE2 3.4Å; F580-Y584 AromaticContact CE2-CZ 3.72Å; F580-Y584 HydrophobicContact CG-CD2 4.47Å; F580-Y584 HydrophobicContact CG-CE2 4.16Å; F580-Y584 HydrophobicContact CZ-CD2 4.37Å; F580-Y584 AromaticContact CZ-CE2 3.3Å; F580-Y584 HydrophobicContact CZ-CE2 3.3Å; F580-Y584 AromaticContact CZ-CZ 3.56Å; F580-Y584 VanDerWaalsContact CZ-OH 3.23Å; F580-Y584 WeakPolarHBondContact CZ-OH 3.07Å; F580-Y584 VanDerWaalsContact O-CD2 3.32Å; F580-Y584 WeakPolarHBondContact O-CD2 3.19Å; F580-Y584 PolarHBondContact O-N 3.39Å; G581-Y584 PolarHBondContact O-N 3.44Å; G581-Y584 VanDerWaalsContact O-N 3.11Å; Y584-R587 CarbonylContact O-C 3.37Å; Y584-R587 WeakPolarHBondContact O-CA 3.29Å; Y584-R587 WeakPolarHBondContact O-CB 3.09Å; Y584-R587 PolarHBondContact O-N 2.96Å; Y584-N588 PolarHBondContact O-N 3.32Å; Y584-N588 VanDerWaalsContact O-N 3.16Å; Y584-D589 HydrophobicContact CD1-CB 4.01Å; Y584-D589 PolarHBondContact O-N 2.94Å; Y584-Q592 HydrophobicContact CD1-CB 3.74Å; Y584-Q592 HydrophobicContact CD1-CG 4.38Å; Y584-Q592 HydrophobicContact CD2-CB 3.67Å; Y584-Q592 HydrophobicContact CE1-CB 3.89Å; Y584-Q592 HydrophobicContact CE1-CG 4.14Å; Y584-Q592 HydrophobicContact CE2-CB 3.78Å; Y584-Q592 HydrophobicContact CG-CB 3.64Å |
| 585 | L | 91.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 172 | -69 | 168.4 | 0 | 0 | 0 | 112.9 | G581 V582 Y583 R587 N588 L590 A593 F597 V617 N816 M817 Y917 | G581-L585 WeakPolarHBondContact O-CG 2.93Å; G581-L585 PolarHBondContact O-N 2.85Å; V582-L585 PolarHBondContact O-N 2.64Å; Y583-L585 VanDerWaalsContact C-N 3.3Å; Y583-L585 PolarHBondContact O-N 3.42Å; L585-R587 PolarHBondContact O-N 2.92Å; L585-R587 VanDerWaalsContact O-N 3.17Å; L585-N588 PolarHBondContact O-N 2.77Å; L585-L590 HydrophobicContact CD2-CD2 3.91Å; L585-A593 HydrophobicContact CD2-CB 3.64Å; L585-A593 HydrophobicContact CG-CB 3.75Å; L585-F597 HydrophobicContact CD1-CE2 3.65Å; L585-F597 HydrophobicContact CD1-CZ 3.52Å; L585-F597 HydrophobicContact CG-CE2 4.2Å; L585-F597 HydrophobicContact CG-CZ 4.31Å; L585-V617 HydrophobicContact CD1-CG2 4.35Å; L585-V617 HydrophobicContact CD2-CG2 3.47Å; L585-V617 VanDerWaalsContact CD2-CG2 3.47Å; L585-V617 HydrophobicContact CG-CG2 4.4Å; L585-N816 HydrophobicContact CB-CB 4.34Å; L585-M817 HydrophobicContact CB-CE 4.43Å; L585-M817 HydrophobicContact CD1-CE 3.07Å; L585-M817 HydrophobicContact CD2-CE 3.55Å; L585-M817 HydrophobicContact CG-CE 3.81Å; L585-Y917 PolarHBondContact O-OH 3.5Å |
| 586 | G | 88.4 | Confident | 93.4 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -18.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V582 Y583 | V582-G586 PolarHBondContact O-N 2.9Å; V582-G586 VanDerWaalsContact O-N 3.08Å; Y583-G586 PolarHBondContact O-N 3.15Å |
| 587 | R | 88.7 | Confident | 93.6 | Very high | 98 Ų | 98 | 34.7 Ų | 34.7 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -0.4 | 173.9 | -65.5 | -74.6 | 155.6 | -150.8 | -20.2 | 113.9 | Y556 Y583 Y584 L585 D589 | Y556-R587 VanDerWaalsContact CD1-CZ 3.47Å; Y556-R587 VanDerWaalsContact CE1-NH1 3.27Å; Y556-R587 PolarHBondContact OH-NH1 3.27Å; Y583-R587 HydrophobicContact CE1-CG 4.5Å; Y583-R587 HydrophobicContact CE2-CG 4.21Å; Y583-R587 PolarHBondContact O-N 3.39Å; Y584-R587 CarbonylContact O-C 3.37Å; Y584-R587 WeakPolarHBondContact O-CA 3.29Å; Y584-R587 WeakPolarHBondContact O-CB 3.09Å; Y584-R587 PolarHBondContact O-N 2.96Å; L585-R587 PolarHBondContact O-N 2.92Å; L585-R587 VanDerWaalsContact O-N 3.17Å; R587-D589 PolarHBondContact O-N 3.38Å |
| 588 | N | 88.9 | Confident | 93.6 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 19.7 | -170 | -147.5 | 31.2 | 0 | 0 | 0 | 115.1 | Y584 L585 L590 Y917 | Y584-N588 PolarHBondContact O-N 3.32Å; Y584-N588 VanDerWaalsContact O-N 3.16Å; L585-N588 PolarHBondContact O-N 2.77Å; N588-L590 PolarHBondContact O-N 3.32Å; N588-Y917 WeakPolarHBondContact CA-OH 3.05Å; N588-Y917 HydrophobicContact CB-CE1 3.6Å; N588-Y917 WeakPolarHBondContact CB-OH 3.39Å; N588-Y917 PolarHBondContact N-OH 3.22Å; N588-Y917 PolarHBondContact OD1-OH 3.18Å |
| 589 | D | 91.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | trans | -90.1 | 83.7 | 176.3 | -170.4 | -22.5 | 0 | 0 | 0 | 109.3 | Y584 R587 E591 Q592 A593 | Y584-D589 HydrophobicContact CD1-CB 4.01Å; Y584-D589 PolarHBondContact O-N 2.94Å; R587-D589 PolarHBondContact O-N 3.38Å; D589-E591 VanDerWaalsContact C-N 3.29Å; D589-E591 PolarHBondContact O-N 3.47Å; D589-E591 PolarHBondContact OD1-N 2.71Å; D589-Q592 PolarHBondContact OD1-N 2.93Å; D589-Q592 VanDerWaalsContact OD2-CG 3.27Å; D589-Q592 WeakPolarHBondContact OD2-CG 3.42Å; D589-A593 VanDerWaalsContact O-CB 3.28Å; D589-A593 WeakPolarHBondContact O-CB 3.45Å; D589-A593 PolarHBondContact O-N 3.33Å; D589-A593 VanDerWaalsContact O-N 3.11Å | ||
| 590 | L | 93.4 | Very high | 93.6 | Very high | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -30.2 | -176.2 | -56.4 | -178 | 0 | 0 | 0 | 112.2 | L585 N588 A594 V617 M620 Q621 | L585-L590 HydrophobicContact CD2-CD2 3.91Å; N588-L590 PolarHBondContact O-N 3.32Å; L590-A594 WeakPolarHBondContact O-CB 3.34Å; L590-A594 PolarHBondContact O-N 3.16Å; L590-V617 HydrophobicContact CB-CG1 4.4Å; L590-M620 HydrophobicContact CD1-CB 4.19Å; L590-M620 HydrophobicContact CD2-CE 3.92Å; L590-M620 HydrophobicContact CD2-SD 4.47Å; L590-Q621 HydrophobicContact CB-CG 4.17Å; L590-Q621 HydrophobicContact CD1-CG 4.13Å; L590-Q621 PolarHBondContact O-NE2 3.33Å |
| 591 | E | 93 | Very high | 93.5 | Very high | 145 Ų | 145 | 43.2 Ų | 43.2 | 68% | 0.678 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -70.9 | -47.7 | -177.9 | -64.9 | -177.3 | -179.2 | 0 | 0 | 111.7 | D589 A593 A594 T595 | D589-E591 VanDerWaalsContact C-N 3.29Å; D589-E591 PolarHBondContact O-N 3.47Å; D589-E591 PolarHBondContact OD1-N 2.71Å; E591-A593 VanDerWaalsContact C-N 3.34Å; E591-A594 PolarHBondContact O-N 3Å; E591-T595 PolarHBondContact O-N 3.32Å; E591-T595 VanDerWaalsContact O-N 3.09Å; E591-T595 PolarHBondContact O-OG1 2.95Å |
| 592 | Q | 93.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68 | -36.7 | 175.3 | -67 | -59.4 | -48.4 | 0 | 0 | 111.4 | Y584 D589 T595 C596 | Y584-Q592 HydrophobicContact CD1-CB 3.74Å; Y584-Q592 HydrophobicContact CD1-CG 4.38Å; Y584-Q592 HydrophobicContact CD2-CB 3.67Å; Y584-Q592 HydrophobicContact CE1-CB 3.89Å; Y584-Q592 HydrophobicContact CE1-CG 4.14Å; Y584-Q592 HydrophobicContact CE2-CB 3.78Å; Y584-Q592 HydrophobicContact CG-CB 3.64Å; D589-Q592 PolarHBondContact OD1-N 2.93Å; D589-Q592 VanDerWaalsContact OD2-CG 3.27Å; D589-Q592 WeakPolarHBondContact OD2-CG 3.42Å; Q592-T595 PolarHBondContact O-N 2.72Å; Q592-C596 PolarHBondContact O-N 2.9Å; Q592-C596 PolarHBondContact O-SG 3.39Å; Q592-C596 VanDerWaalsContact O-SG 3.36Å |
| 593 | A | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L585 D589 E591 T595 C596 F597 | L585-A593 HydrophobicContact CD2-CB 3.64Å; L585-A593 HydrophobicContact CG-CB 3.75Å; D589-A593 VanDerWaalsContact O-CB 3.28Å; D589-A593 WeakPolarHBondContact O-CB 3.45Å; D589-A593 PolarHBondContact O-N 3.33Å; D589-A593 VanDerWaalsContact O-N 3.11Å; E591-A593 VanDerWaalsContact C-N 3.34Å; A593-T595 VanDerWaalsContact C-N 3.3Å; A593-T595 PolarHBondContact O-N 3.03Å; A593-C596 WeakPolarHBondContact O-CB 3.34Å; A593-C596 PolarHBondContact O-N 3.16Å; A593-C596 VanDerWaalsContact O-N 3.14Å; A593-F597 HydrophobicContact CB-CE2 4.06Å; A593-F597 WeakPolarHBondContact O-CD2 3.38Å; A593-F597 WeakPolarHBondContact O-CG 3.49Å; A593-F597 PolarHBondContact O-N 3.1Å |
| 594 | A | 95.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L590 E591 C596 F597 H598 F614 V617 | L590-A594 WeakPolarHBondContact O-CB 3.34Å; L590-A594 PolarHBondContact O-N 3.16Å; E591-A594 PolarHBondContact O-N 3Å; A594-C596 VanDerWaalsContact C-N 3.35Å; A594-C596 PolarHBondContact O-N 3.39Å; A594-F597 PolarHBondContact O-N 2.87Å; A594-H598 WeakPolarHBondContact O-CB 3.25Å; A594-H598 PolarHBondContact O-N 3.41Å; A594-F614 HydrophobicContact CB-CE2 4Å; A594-F614 VanDerWaalsContact O-CE2 3.31Å; A594-F614 WeakPolarHBondContact O-CE2 3.23Å; A594-V617 HydrophobicContact CB-CG1 4Å |
| 595 | T | 94.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 55 Ų | 55 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 177 | -58 | 0 | 0 | 0 | 0 | 112.2 | E591 Q592 A593 R599 | E591-T595 PolarHBondContact O-N 3.32Å; E591-T595 VanDerWaalsContact O-N 3.09Å; E591-T595 PolarHBondContact O-OG1 2.95Å; Q592-T595 PolarHBondContact O-N 2.72Å; A593-T595 VanDerWaalsContact C-N 3.3Å; A593-T595 PolarHBondContact O-N 3.03Å; T595-R599 WeakPolarHBondContact O-CG 3.18Å; T595-R599 PolarHBondContact O-N 3.04Å; T595-R599 VanDerWaalsContact O-N 3.1Å |
| 596 | C | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 176.8 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | F580 Q592 A593 A594 R599 S600 | F580-C596 VanDerWaalsContact CD1-SG 3.57Å; Q592-C596 PolarHBondContact O-N 2.9Å; Q592-C596 PolarHBondContact O-SG 3.39Å; Q592-C596 VanDerWaalsContact O-SG 3.36Å; A593-C596 WeakPolarHBondContact O-CB 3.34Å; A593-C596 PolarHBondContact O-N 3.16Å; A593-C596 VanDerWaalsContact O-N 3.14Å; A594-C596 VanDerWaalsContact C-N 3.35Å; A594-C596 PolarHBondContact O-N 3.39Å; C596-R599 PolarHBondContact O-N 3.41Å; C596-S600 PolarHBondContact O-N 3.31Å |
| 597 | F | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 179.3 | -62.5 | -37.3 | 0 | 0 | 0 | 113.1 | L578 V582 L585 A593 A594 R599 S600 L601 L613 F614 V617 | L578-F597 HydrophobicContact CD2-CD1 3.6Å; L578-F597 HydrophobicContact CD2-CE1 3.91Å; L578-F597 WeakPolarHBondContact O-CE1 3.39Å; V582-F597 HydrophobicContact CG2-CE1 4.48Å; V582-F597 HydrophobicContact CG2-CZ 4.38Å; L585-F597 HydrophobicContact CD1-CE2 3.65Å; L585-F597 HydrophobicContact CD1-CZ 3.52Å; L585-F597 HydrophobicContact CG-CE2 4.2Å; L585-F597 HydrophobicContact CG-CZ 4.31Å; A593-F597 HydrophobicContact CB-CE2 4.06Å; A593-F597 WeakPolarHBondContact O-CD2 3.38Å; A593-F597 WeakPolarHBondContact O-CG 3.49Å; A593-F597 PolarHBondContact O-N 3.1Å; A594-F597 PolarHBondContact O-N 2.87Å; F597-R599 VanDerWaalsContact C-N 3.3Å; F597-R599 PolarHBondContact O-N 3.13Å; F597-S600 WeakPolarHBondContact O-CA 3.48Å; F597-S600 VanDerWaalsContact O-CB 3.29Å; F597-S600 WeakPolarHBondContact O-CB 3.31Å; F597-S600 PolarHBondContact O-N 3.16Å; F597-S600 VanDerWaalsContact O-N 3.09Å; F597-L601 PolarHBondContact O-N 3.23Å; F597-L613 HydrophobicContact CD1-CB 4.13Å; F597-L613 HydrophobicContact CD1-CD1 4.48Å; F597-L613 HydrophobicContact CD2-CB 4.15Å; F597-L613 HydrophobicContact CE1-CB 3.87Å; F597-L613 HydrophobicContact CE1-CD1 3.71Å; F597-L613 HydrophobicContact CE1-CG 4.43Å; F597-L613 HydrophobicContact CE2-CB 3.91Å; F597-L613 HydrophobicContact CG-CB 4.26Å; F597-L613 HydrophobicContact CZ-CB 3.76Å; F597-L613 HydrophobicContact CZ-CD1 3.94Å; F597-L613 HydrophobicContact CZ-CG 4.36Å; F597-F614 HydrophobicContact CB-CB 3.97Å; F597-F614 HydrophobicContact CB-CD2 3.65Å; F597-F614 HydrophobicContact CB-CG 4.23Å; F597-V617 HydrophobicContact CD2-CG2 4.06Å; F597-V617 HydrophobicContact CE2-CG2 3.74Å |
| 598 | H | 95.1 | Very high | 93.5 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 171.2 | 179 | -79.1 | 0 | 0 | 0 | 111.5 | A594 S600 L601 T602 F614 | A594-H598 WeakPolarHBondContact O-CB 3.25Å; A594-H598 PolarHBondContact O-N 3.41Å; H598-S600 VanDerWaalsContact C-N 3.33Å; H598-S600 PolarHBondContact O-N 3.11Å; H598-L601 PolarHBondContact O-N 3.34Å; H598-T602 PolarHBondContact O-N 3.14Å; H598-T602 PolarHBondContact O-OG1 3.07Å; H598-F614 HydrophobicContact CB-CE2 4.09Å; H598-F614 HydrophobicContact CB-CZ 4.38Å |
| 599 | R | 94.6 | Very high | 93.8 | Very high | 119 Ų | 119 | 56.4 Ų | 56.4 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 175.2 | -74 | 180 | 178.6 | -178.5 | 1.5 | 112.7 | W577 T595 C596 F597 T602 I603 | W577-R599 HydrophobicContact CD2-CB 3.84Å; W577-R599 HydrophobicContact CE3-CB 4.03Å; W577-R599 HydrophobicContact CG-CB 4.17Å; W577-R599 VanDerWaalsContact CZ3-CD 3.44Å; T595-R599 WeakPolarHBondContact O-CG 3.18Å; T595-R599 PolarHBondContact O-N 3.04Å; T595-R599 VanDerWaalsContact O-N 3.1Å; C596-R599 PolarHBondContact O-N 3.41Å; F597-R599 VanDerWaalsContact C-N 3.3Å; F597-R599 PolarHBondContact O-N 3.13Å; R599-T602 PolarHBondContact O-N 3.35Å; R599-I603 WeakPolarHBondContact O-CG1 3.42Å; R599-I603 PolarHBondContact O-N 2.9Å |
| 600 | S | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 173.8 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | P574 L578 C596 F597 H598 T602 I603 D604 | P574-S600 WeakPolarHBondContact CA-OG 3.49Å; P574-S600 VanDerWaalsContact CB-OG 3.29Å; P574-S600 WeakPolarHBondContact CB-OG 3.4Å; P574-S600 PolarHBondContact O-OG 3.39Å; L578-S600 WeakPolarHBondContact CG-OG 3.39Å; C596-S600 PolarHBondContact O-N 3.31Å; F597-S600 WeakPolarHBondContact O-CA 3.48Å; F597-S600 VanDerWaalsContact O-CB 3.29Å; F597-S600 WeakPolarHBondContact O-CB 3.31Å; F597-S600 PolarHBondContact O-N 3.16Å; F597-S600 VanDerWaalsContact O-N 3.09Å; H598-S600 VanDerWaalsContact C-N 3.33Å; H598-S600 PolarHBondContact O-N 3.11Å; S600-T602 VanDerWaalsContact C-N 3.31Å; S600-T602 PolarHBondContact O-N 3.36Å; S600-I603 WeakPolarHBondContact O-CB 3.27Å; S600-I603 PolarHBondContact O-N 2.96Å; S600-D604 PolarHBondContact O-N 3.48Å |
| 601 | L | 94.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.7 | -26.9 | 178.5 | -70.1 | 174 | 0 | 0 | 0 | 113.4 | F597 H598 I603 D604 P605 L611 F614 F630 | F597-L601 PolarHBondContact O-N 3.23Å; H598-L601 PolarHBondContact O-N 3.34Å; L601-I603 PolarHBondContact O-N 2.96Å; L601-D604 CarbonylContact O-C 3.23Å; L601-D604 VanDerWaalsContact O-C 3.29Å; L601-P605 WeakPolarHBondContact O-CA 3.32Å; L601-P605 WeakPolarHBondContact O-CD 3.35Å; L601-P605 VanDerWaalsContact O-CG 3.32Å; L601-P605 WeakPolarHBondContact O-CG 3.43Å; L601-L611 HydrophobicContact CD1-CD2 4.09Å; L601-L611 HydrophobicContact CD2-CD2 3.69Å; L601-L611 HydrophobicContact CD2-CG 3.76Å; L601-F614 HydrophobicContact CD1-CB 3.89Å; L601-F614 HydrophobicContact CD1-CD1 4.2Å; L601-F614 HydrophobicContact CD1-CG 4.15Å; L601-F630 HydrophobicContact CD1-CD1 4.31Å; L601-F630 HydrophobicContact CD1-CE1 4.12Å |
| 602 | T | 94.7 | Very high | 94.3 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63 | -30.8 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | H598 R599 S600 | H598-T602 PolarHBondContact O-N 3.14Å; H598-T602 PolarHBondContact O-OG1 3.07Å; R599-T602 PolarHBondContact O-N 3.35Å; S600-T602 VanDerWaalsContact C-N 3.31Å; S600-T602 PolarHBondContact O-N 3.36Å |
| 603 | I | 92.7 | Very high | 94.4 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 33% | 0.328 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -83.4 | -50.2 | 178.5 | -63.2 | 163.6 | 0 | 0 | 0 | 110.7 | P571 S572 P574 W577 R599 S600 L601 | P571-I603 WeakPolarHBondContact O-CD1 3.31Å; S572-I603 VanDerWaalsContact O-CG2 3.23Å; S572-I603 WeakPolarHBondContact O-CG2 3.45Å; P574-I603 HydrophobicContact CB-CB 4.4Å; P574-I603 HydrophobicContact CB-CG2 4.37Å; W577-I603 VanDerWaalsContact CD1-CD1 3.44Å; R599-I603 WeakPolarHBondContact O-CG1 3.42Å; R599-I603 PolarHBondContact O-N 2.9Å; S600-I603 WeakPolarHBondContact O-CB 3.27Å; S600-I603 PolarHBondContact O-N 2.96Å; L601-I603 PolarHBondContact O-N 2.96Å |
| 604 | D | 92.3 | Very high | 94.5 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | trans | -129.2 | 94.6 | 175 | -175.5 | 3.7 | 0 | 0 | 0 | 110.9 | P574 S600 L601 K606 Q607 | P574-D604 HydrophobicContact CB-CB 4.14Å; P574-D604 HydrophobicContact CG-CB 3.91Å; S600-D604 PolarHBondContact O-N 3.48Å; L601-D604 CarbonylContact O-C 3.23Å; L601-D604 VanDerWaalsContact O-C 3.29Å; D604-K606 PolarHBondContact O-N 3.1Å; D604-K606 VanDerWaalsContact O-N 3.15Å; D604-K606 PolarHBondContact OD1-N 3.42Å; D604-K606 VanDerWaalsContact OD1-N 3.1Å; D604-Q607 HydrophobicContact CB-CB 4.2Å; D604-Q607 PolarHBondContact O-N 2.82Å | ||
| 605 | P | 93.4 | Very high | 94.5 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16 | -178.7 | -22.2 | 32 | 0 | 0 | 0 | 114.4 | L601 | L601-P605 WeakPolarHBondContact O-CA 3.32Å; L601-P605 WeakPolarHBondContact O-CD 3.35Å; L601-P605 VanDerWaalsContact O-CG 3.32Å; L601-P605 WeakPolarHBondContact O-CG 3.43Å |
| 606 | K | 90.6 | Very high | 94.5 | Very high | 146 Ų | 146 | 39 Ų | 39 | 64% | 0.635 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.1 | -174.2 | -62.6 | -176.7 | -179.7 | -180 | 0 | 113 | D604 S608 | D604-K606 PolarHBondContact O-N 3.1Å; D604-K606 VanDerWaalsContact O-N 3.15Å; D604-K606 PolarHBondContact OD1-N 3.42Å; D604-K606 VanDerWaalsContact OD1-N 3.1Å; K606-S608 PolarHBondContact O-N 3.39Å |
| 607 | Q | 92.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | trans | -71.6 | 114 | -177.5 | -168.8 | 177.8 | 40.4 | 0 | 0 | 111.1 | D604 T609 G610 L611 | D604-Q607 HydrophobicContact CB-CB 4.2Å; D604-Q607 PolarHBondContact O-N 2.82Å; Q607-T609 PolarHBondContact O-N 3.34Å; Q607-G610 PolarHBondContact O-N 3.02Å; Q607-G610 VanDerWaalsContact O-N 3.1Å; Q607-L611 WeakPolarHBondContact O-CG 3.49Å; Q607-L611 PolarHBondContact O-N 3.13Å; Q607-L611 VanDerWaalsContact O-N 3.07Å | ||
| 608 | S | 91.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.6 | -45.5 | -177.4 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | K606 G610 L611 V612 | K606-S608 PolarHBondContact O-N 3.39Å; S608-G610 VanDerWaalsContact C-N 3.35Å; S608-G610 PolarHBondContact O-N 3.45Å; S608-L611 PolarHBondContact O-N 2.88Å; S608-V612 WeakPolarHBondContact O-CG2 3.24Å; S608-V612 PolarHBondContact O-N 3.03Å |
| 609 | T | 94.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 18% | 0.184 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | L578 Q607 L613 F811 | L578-T609 HydrophobicContact CD1-CG2 4.11Å; Q607-T609 PolarHBondContact O-N 3.34Å; T609-L613 HydrophobicContact CG2-CD1 3.87Å; T609-L613 HydrophobicContact CG2-CG 4.26Å; T609-L613 WeakPolarHBondContact O-CB 3.33Å; T609-L613 VanDerWaalsContact O-CG 3.26Å; T609-L613 WeakPolarHBondContact O-CG 3.19Å; T609-L613 PolarHBondContact O-N 3.39Å; T609-F811 HydrophobicContact CG2-CZ 4.23Å |
| 610 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L578 Q607 S608 L613 F614 | L578-G610 VanDerWaalsContact CD2-CA 3.48Å; Q607-G610 PolarHBondContact O-N 3.02Å; Q607-G610 VanDerWaalsContact O-N 3.1Å; S608-G610 VanDerWaalsContact C-N 3.35Å; S608-G610 PolarHBondContact O-N 3.45Å; G610-L613 PolarHBondContact O-N 3.1Å; G610-F614 WeakPolarHBondContact O-CB 3.47Å; G610-F614 PolarHBondContact O-N 3.15Å |
| 611 | L | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 178.4 | -67.8 | 168.3 | 0 | 0 | 0 | 110.9 | L601 Q607 S608 G615 F630 A633 A634 | L601-L611 HydrophobicContact CD1-CD2 4.09Å; L601-L611 HydrophobicContact CD2-CD2 3.69Å; L601-L611 HydrophobicContact CD2-CG 3.76Å; Q607-L611 WeakPolarHBondContact O-CG 3.49Å; Q607-L611 PolarHBondContact O-N 3.13Å; Q607-L611 VanDerWaalsContact O-N 3.07Å; S608-L611 PolarHBondContact O-N 2.88Å; L611-G615 PolarHBondContact O-N 3.33Å; L611-F630 HydrophobicContact CD2-CD1 3.73Å; L611-F630 HydrophobicContact CD2-CE1 4.35Å; L611-A633 HydrophobicContact CD1-CB 4.34Å; L611-A633 HydrophobicContact CD2-CB 4.43Å; L611-A634 HydrophobicContact CB-CB 3.71Å; L611-A634 HydrophobicContact CD1-CB 4.33Å |
| 612 | V | 96.7 | Very high | 94 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -51.5 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 112 | S608 F614 G615 L616 L631 A634 L644 I647 F811 | S608-V612 WeakPolarHBondContact O-CG2 3.24Å; S608-V612 PolarHBondContact O-N 3.03Å; V612-F614 VanDerWaalsContact C-N 3.31Å; V612-F614 PolarHBondContact O-N 3.01Å; V612-G615 PolarHBondContact O-N 3.09Å; V612-L616 HydrophobicContact CG1-CD1 3.74Å; V612-L616 HydrophobicContact CG1-CG 4.15Å; V612-L616 WeakPolarHBondContact O-CB 3.4Å; V612-L616 VanDerWaalsContact O-CG 3.28Å; V612-L616 WeakPolarHBondContact O-CG 3.35Å; V612-L616 PolarHBondContact O-N 3.27Å; V612-L631 HydrophobicContact CB-CD2 4.45Å; V612-L631 HydrophobicContact CG1-CD2 4.44Å; V612-L631 HydrophobicContact CG2-CD2 4.29Å; V612-A634 HydrophobicContact CG2-CB 3.75Å; V612-L644 HydrophobicContact CG2-CD2 3.57Å; V612-I647 HydrophobicContact CG1-CD1 3.92Å; V612-I647 HydrophobicContact CG1-CG2 3.92Å; V612-F811 HydrophobicContact CG1-CE1 4.45Å |
| 613 | L | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -176.7 | -69.1 | 177.9 | 0 | 0 | 0 | 111.6 | L578 V582 F597 T609 G610 V617 R815 M817 | L578-L613 HydrophobicContact CD2-CD1 3.98Å; V582-L613 HydrophobicContact CG2-CD1 3.94Å; F597-L613 HydrophobicContact CD1-CB 4.13Å; F597-L613 HydrophobicContact CD1-CD1 4.48Å; F597-L613 HydrophobicContact CD2-CB 4.15Å; F597-L613 HydrophobicContact CE1-CB 3.87Å; F597-L613 HydrophobicContact CE1-CD1 3.71Å; F597-L613 HydrophobicContact CE1-CG 4.43Å; F597-L613 HydrophobicContact CE2-CB 3.91Å; F597-L613 HydrophobicContact CG-CB 4.26Å; F597-L613 HydrophobicContact CZ-CB 3.76Å; F597-L613 HydrophobicContact CZ-CD1 3.94Å; F597-L613 HydrophobicContact CZ-CG 4.36Å; T609-L613 HydrophobicContact CG2-CD1 3.87Å; T609-L613 HydrophobicContact CG2-CG 4.26Å; T609-L613 WeakPolarHBondContact O-CB 3.33Å; T609-L613 VanDerWaalsContact O-CG 3.26Å; T609-L613 WeakPolarHBondContact O-CG 3.19Å; T609-L613 PolarHBondContact O-N 3.39Å; G610-L613 PolarHBondContact O-N 3.1Å; L613-V617 VanDerWaalsContact O-CG2 3.25Å; L613-V617 WeakPolarHBondContact O-CG2 3.26Å; L613-V617 PolarHBondContact O-N 3.44Å; L613-V617 VanDerWaalsContact O-N 3.1Å; L613-R815 HydrophobicContact CD2-CB 3.94Å; L613-R815 HydrophobicContact CD2-CG 4.34Å; L613-M817 HydrophobicContact CD2-CG 4.39Å |
| 614 | F | 96.5 | Very high | 94 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 174.4 | -164.3 | -117.2 | 0 | 0 | 0 | 111.6 | A594 F597 H598 L601 G610 V612 L616 V617 S618 F630 | A594-F614 HydrophobicContact CB-CE2 4Å; A594-F614 VanDerWaalsContact O-CE2 3.31Å; A594-F614 WeakPolarHBondContact O-CE2 3.23Å; F597-F614 HydrophobicContact CB-CB 3.97Å; F597-F614 HydrophobicContact CB-CD2 3.65Å; F597-F614 HydrophobicContact CB-CG 4.23Å; H598-F614 HydrophobicContact CB-CE2 4.09Å; H598-F614 HydrophobicContact CB-CZ 4.38Å; L601-F614 HydrophobicContact CD1-CB 3.89Å; L601-F614 HydrophobicContact CD1-CD1 4.2Å; L601-F614 HydrophobicContact CD1-CG 4.15Å; G610-F614 WeakPolarHBondContact O-CB 3.47Å; G610-F614 PolarHBondContact O-N 3.15Å; V612-F614 VanDerWaalsContact C-N 3.31Å; V612-F614 PolarHBondContact O-N 3.01Å; F614-L616 PolarHBondContact O-N 3.48Å; F614-V617 PolarHBondContact O-N 3.32Å; F614-V617 VanDerWaalsContact O-N 3.16Å; F614-S618 PolarHBondContact O-N 3.5Å; F614-S618 PolarHBondContact O-OG 3.43Å; F614-F630 AromaticContact CD1-CD1 3.98Å; F614-F630 HydrophobicContact CD1-CD1 3.98Å; F614-F630 AromaticContact CD1-CD2 3.5Å; F614-F630 HydrophobicContact CD1-CD2 3.5Å; F614-F630 VanDerWaalsContact CD1-CD2 3.5Å; F614-F630 AromaticContact CD1-CE1 3.8Å; F614-F630 HydrophobicContact CD1-CE1 3.8Å; F614-F630 AromaticContact CD1-CE2 3.33Å; F614-F630 HydrophobicContact CD1-CE2 3.33Å; F614-F630 AromaticContact CD1-CG 3.85Å; F614-F630 HydrophobicContact CD1-CG 3.85Å; F614-F630 AromaticContact CD1-CZ 3.49Å; F614-F630 HydrophobicContact CD1-CZ 3.49Å; F614-F630 VanDerWaalsContact CD1-CZ 3.49Å; F614-F630 AromaticContact CE1-CD2 3.86Å; F614-F630 HydrophobicContact CE1-CD2 3.86Å; F614-F630 HydrophobicContact CE1-CE1 4.18Å; F614-F630 AromaticContact CE1-CE2 3.23Å; F614-F630 HydrophobicContact CE1-CE2 3.23Å; F614-F630 AromaticContact CE1-CZ 3.42Å; F614-F630 HydrophobicContact CE1-CZ 3.42Å; F614-F630 VanDerWaalsContact CE1-CZ 3.42Å |
| 615 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L611 V612 S618 A619 A627 | L611-G615 PolarHBondContact O-N 3.33Å; V612-G615 PolarHBondContact O-N 3.09Å; G615-S618 PolarHBondContact O-N 2.52Å; G615-A619 WeakPolarHBondContact O-CB 3.41Å; G615-A619 PolarHBondContact O-N 3.4Å; G615-A627 WeakPolarHBondContact O-CB 3.29Å |
| 616 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | 176.1 | -67 | 179 | 0 | 0 | 0 | 112.5 | V612 F614 A619 M620 L631 I647 L812 M817 F820 | V612-L616 HydrophobicContact CG1-CD1 3.74Å; V612-L616 HydrophobicContact CG1-CG 4.15Å; V612-L616 WeakPolarHBondContact O-CB 3.4Å; V612-L616 VanDerWaalsContact O-CG 3.28Å; V612-L616 WeakPolarHBondContact O-CG 3.35Å; V612-L616 PolarHBondContact O-N 3.27Å; F614-L616 PolarHBondContact O-N 3.48Å; L616-A619 WeakPolarHBondContact O-CB 3.36Å; L616-A619 PolarHBondContact O-N 2.78Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.48Å; L616-M620 PolarHBondContact O-N 3.16Å; L616-L631 HydrophobicContact CD2-CD1 4.35Å; L616-L631 HydrophobicContact CD2-CD2 4.31Å; L616-L631 HydrophobicContact CG-CD2 4.34Å; L616-I647 HydrophobicContact CD1-CG2 3.92Å; L616-I647 HydrophobicContact CD2-CG2 3.79Å; L616-I647 HydrophobicContact CG-CG2 4.15Å; L616-L812 HydrophobicContact CD1-CD2 3.66Å; L616-M817 HydrophobicContact CB-SD 3.93Å; L616-M817 HydrophobicContact CD1-CG 4.31Å; L616-M817 HydrophobicContact CD1-SD 4.11Å; L616-F820 HydrophobicContact CB-CD2 4.4Å; L616-F820 HydrophobicContact CB-CE2 3.98Å; L616-F820 HydrophobicContact CD1-CD2 4.33Å; L616-F820 HydrophobicContact CD2-CD1 3.98Å; L616-F820 HydrophobicContact CD2-CD2 3.96Å; L616-F820 HydrophobicContact CD2-CE1 3.7Å; L616-F820 HydrophobicContact CD2-CE2 3.68Å; L616-F820 HydrophobicContact CD2-CG 4.11Å; L616-F820 HydrophobicContact CD2-CZ 3.54Å; L616-F820 HydrophobicContact CG-CD2 4.46Å; L616-F820 HydrophobicContact CG-CE2 4.29Å |
| 617 | V | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | L585 L590 A594 F597 L613 F614 A619 M620 Q621 M817 | L585-V617 HydrophobicContact CD1-CG2 4.35Å; L585-V617 HydrophobicContact CD2-CG2 3.47Å; L585-V617 VanDerWaalsContact CD2-CG2 3.47Å; L585-V617 HydrophobicContact CG-CG2 4.4Å; L590-V617 HydrophobicContact CB-CG1 4.4Å; A594-V617 HydrophobicContact CB-CG1 4Å; F597-V617 HydrophobicContact CD2-CG2 4.06Å; F597-V617 HydrophobicContact CE2-CG2 3.74Å; L613-V617 VanDerWaalsContact O-CG2 3.25Å; L613-V617 WeakPolarHBondContact O-CG2 3.26Å; L613-V617 PolarHBondContact O-N 3.44Å; L613-V617 VanDerWaalsContact O-N 3.1Å; F614-V617 PolarHBondContact O-N 3.32Å; F614-V617 VanDerWaalsContact O-N 3.16Å; V617-A619 VanDerWaalsContact C-N 3.26Å; V617-A619 PolarHBondContact O-N 3.43Å; V617-M620 WeakPolarHBondContact O-CB 3.41Å; V617-M620 PolarHBondContact O-N 2.66Å; V617-M620 VanDerWaalsContact O-N 3.12Å; V617-Q621 WeakPolarHBondContact O-CG 3.25Å; V617-Q621 PolarHBondContact O-N 2.67Å; V617-M817 HydrophobicContact CG2-CE 3.97Å |
| 618 | S | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 173 | -69.4 | 0 | 0 | 0 | 0 | 111 | F614 G615 Q621 N622 F623 E626 | F614-S618 PolarHBondContact O-N 3.5Å; F614-S618 PolarHBondContact O-OG 3.43Å; G615-S618 PolarHBondContact O-N 2.52Å; S618-Q621 CarbonylContact O-C 3.6Å; S618-Q621 PolarHBondContact O-N 2.97Å; S618-Q621 VanDerWaalsContact O-N 3.14Å; S618-N622 PolarHBondContact O-N 2.81Å; S618-N622 VanDerWaalsContact O-N 3.14Å; S618-F623 PolarHBondContact O-N 2.98Å; S618-E626 PolarHBondContact OG-OE2 2.55Å |
| 619 | A | 94.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G615 L616 V617 Q621 N622 A627 F651 F820 | G615-A619 WeakPolarHBondContact O-CB 3.41Å; G615-A619 PolarHBondContact O-N 3.4Å; L616-A619 WeakPolarHBondContact O-CB 3.36Å; L616-A619 PolarHBondContact O-N 2.78Å; V617-A619 VanDerWaalsContact C-N 3.26Å; V617-A619 PolarHBondContact O-N 3.43Å; A619-Q621 PolarHBondContact O-N 3.33Å; A619-N622 PolarHBondContact O-N 3.35Å; A619-A627 HydrophobicContact CB-CB 3.88Å; A619-F651 HydrophobicContact CB-CD2 3.64Å; A619-F651 HydrophobicContact CB-CE2 3.58Å; A619-F820 HydrophobicContact CB-CZ 4.2Å |
| 620 | M | 92 | Very high | 94.5 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -26.2 | 175 | -69.4 | 174.7 | 71.3 | 0 | 0 | 113 | L590 L616 V617 N622 M817 F820 | L590-M620 HydrophobicContact CD1-CB 4.19Å; L590-M620 HydrophobicContact CD2-CE 3.92Å; L590-M620 HydrophobicContact CD2-SD 4.47Å; L616-M620 VanDerWaalsContact O-CG 3.28Å; L616-M620 WeakPolarHBondContact O-CG 3.48Å; L616-M620 PolarHBondContact O-N 3.16Å; V617-M620 WeakPolarHBondContact O-CB 3.41Å; V617-M620 PolarHBondContact O-N 2.66Å; V617-M620 VanDerWaalsContact O-N 3.12Å; M620-N622 VanDerWaalsContact C-N 3.33Å; M620-M817 HydrophobicContact SD-CE 4.18Å; M620-M817 HydrophobicContact SD-SD 3.94Å; M620-F820 HydrophobicContact CG-CE2 3.99Å; M620-F820 HydrophobicContact SD-CE2 4.43Å |
| 621 | Q | 92.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -0.9 | 173 | -68.8 | 179 | -12.4 | 0 | 0 | 113.5 | L590 V617 S618 A619 F623 | L590-Q621 HydrophobicContact CB-CG 4.17Å; L590-Q621 HydrophobicContact CD1-CG 4.13Å; L590-Q621 PolarHBondContact O-NE2 3.33Å; V617-Q621 WeakPolarHBondContact O-CG 3.25Å; V617-Q621 PolarHBondContact O-N 2.67Å; S618-Q621 CarbonylContact O-C 3.6Å; S618-Q621 PolarHBondContact O-N 2.97Å; S618-Q621 VanDerWaalsContact O-N 3.14Å; A619-Q621 PolarHBondContact O-N 3.33Å; Q621-F623 HydrophobicContact CB-CD2 3.75Å; Q621-F623 HydrophobicContact CB-CE2 3.89Å |
| 622 | N | 91.3 | Very high | 94.6 | Very high | 133 Ų | 133 | 46.9 Ų | 46.9 | 71% | 0.711 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 20.6 | -174.6 | -50.3 | -76.9 | 0 | 0 | 0 | 115.6 | S618 A619 M620 N624 | S618-N622 PolarHBondContact O-N 2.81Å; S618-N622 VanDerWaalsContact O-N 3.14Å; A619-N622 PolarHBondContact O-N 3.35Å; M620-N622 VanDerWaalsContact C-N 3.33Å; N622-N624 PolarHBondContact O-N 3.26Å |
| 623 | F | 93.7 | Very high | 94.6 | Very high | 114 Ų | 114 | 48 Ų | 48 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | trans | -87.4 | 72.6 | 170.6 | -59.5 | -49.8 | 0 | 0 | 0 | 110.8 | S618 Q621 E626 A627 | S618-F623 PolarHBondContact O-N 2.98Å; Q621-F623 HydrophobicContact CB-CD2 3.75Å; Q621-F623 HydrophobicContact CB-CE2 3.89Å; F623-E626 HydrophobicContact CB-CB 4.21Å; F623-A627 VanDerWaalsContact O-CB 3.28Å; F623-A627 WeakPolarHBondContact O-CB 3.43Å; F623-A627 PolarHBondContact O-N 3.14Å | ||
| 624 | N | 93.2 | Very high | 94.6 | Very high | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -36.2 | -170.3 | -66 | -19.8 | 0 | 0 | 0 | 114.4 | N622 T628 I655 | N622-N624 PolarHBondContact O-N 3.26Å; N624-T628 WeakPolarHBondContact O-CB 3.37Å; N624-T628 PolarHBondContact O-N 3.47Å; N624-T628 PolarHBondContact O-OG1 2.94Å; N624-I655 HydrophobicContact CB-CG2 4.07Å |
| 625 | E | 92 | Very high | 94.5 | Very high | 170 Ų | 170 | 47.7 Ų | 47.7 | 79% | 0.794 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.2 | -50.1 | 177.6 | -65.4 | -178.4 | 171.8 | 0 | 0 | 110.4 | A627 T628 D629 | E625-A627 VanDerWaalsContact C-N 3.34Å; E625-A627 PolarHBondContact O-N 3.23Å; E625-T628 WeakPolarHBondContact O-CB 3.26Å; E625-T628 PolarHBondContact O-N 2.65Å; E625-T628 VanDerWaalsContact O-N 3.14Å; E625-D629 PolarHBondContact O-N 2.91Å; E625-D629 VanDerWaalsContact O-N 3.11Å |
| 626 | E | 93 | Very high | 94.5 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.9 | -173.4 | -174.4 | -152.7 | 0 | 0 | 111.5 | S618 F623 T628 D629 F630 | S618-E626 PolarHBondContact OG-OE2 2.55Å; F623-E626 HydrophobicContact CB-CB 4.21Å; E626-T628 VanDerWaalsContact C-N 3.27Å; E626-T628 PolarHBondContact O-N 2.87Å; E626-D629 PolarHBondContact O-N 3.32Å; E626-F630 HydrophobicContact CG-CD2 3.71Å; E626-F630 HydrophobicContact CG-CE2 3.41Å; E626-F630 VanDerWaalsContact CG-CE2 3.41Å; E626-F630 WeakPolarHBondContact O-CD2 3.28Å; E626-F630 PolarHBondContact O-N 3.41Å; E626-F630 VanDerWaalsContact O-N 3.13Å |
| 627 | A | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G615 A619 F623 E625 L631 F651 | G615-A627 WeakPolarHBondContact O-CB 3.29Å; A619-A627 HydrophobicContact CB-CB 3.88Å; F623-A627 VanDerWaalsContact O-CB 3.28Å; F623-A627 WeakPolarHBondContact O-CB 3.43Å; F623-A627 PolarHBondContact O-N 3.14Å; E625-A627 VanDerWaalsContact C-N 3.34Å; E625-A627 PolarHBondContact O-N 3.23Å; A627-L631 WeakPolarHBondContact O-CB 3.47Å; A627-L631 VanDerWaalsContact O-CG 3.23Å; A627-L631 WeakPolarHBondContact O-CG 3.5Å; A627-L631 PolarHBondContact O-N 2.9Å; A627-F651 HydrophobicContact CB-CD2 4.41Å; A627-F651 HydrophobicContact CB-CE1 4.5Å; A627-F651 HydrophobicContact CB-CE2 3.58Å; A627-F651 HydrophobicContact CB-CZ 3.63Å |
| 628 | T | 95.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 58 Ų | 58 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | N624 E625 E626 F630 L631 E632 F651 Y652 | N624-T628 WeakPolarHBondContact O-CB 3.37Å; N624-T628 PolarHBondContact O-N 3.47Å; N624-T628 PolarHBondContact O-OG1 2.94Å; E625-T628 WeakPolarHBondContact O-CB 3.26Å; E625-T628 PolarHBondContact O-N 2.65Å; E625-T628 VanDerWaalsContact O-N 3.14Å; E626-T628 VanDerWaalsContact C-N 3.27Å; E626-T628 PolarHBondContact O-N 2.87Å; T628-F630 VanDerWaalsContact C-N 3.34Å; T628-F630 PolarHBondContact O-N 2.85Å; T628-L631 PolarHBondContact O-N 3.38Å; T628-E632 HydrophobicContact CG2-CG 4.21Å; T628-E632 WeakPolarHBondContact O-CB 3.45Å; T628-E632 WeakPolarHBondContact O-CG 3.49Å; T628-E632 PolarHBondContact O-N 2.96Å; T628-F651 WeakPolarHBondContact OG1-CE1 3.46Å; T628-Y652 HydrophobicContact CG2-CE1 4.19Å |
| 629 | D | 94.8 | Very high | 94.1 | Very high | 111 Ų | 111 | 61.3 Ų | 61.3 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57 | -45.9 | -179.8 | -69.6 | -26.1 | 0 | 0 | 0 | 112 | E625 E626 A633 | E625-D629 PolarHBondContact O-N 2.91Å; E625-D629 VanDerWaalsContact O-N 3.11Å; E626-D629 PolarHBondContact O-N 3.32Å; D629-A633 WeakPolarHBondContact O-CB 3.4Å; D629-A633 PolarHBondContact O-N 3.15Å |
| 630 | F | 95.9 | Very high | 94 | Very high | 53 Ų | 53 | 68.8 Ų | 68.8 | 23% | 0.232 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.8 | -39.3 | -179.2 | -75 | -67.5 | 0 | 0 | 0 | 113.4 | L601 L611 F614 E626 T628 A633 A634 | L601-F630 HydrophobicContact CD1-CD1 4.31Å; L601-F630 HydrophobicContact CD1-CE1 4.12Å; L611-F630 HydrophobicContact CD2-CD1 3.73Å; L611-F630 HydrophobicContact CD2-CE1 4.35Å; F614-F630 AromaticContact CD1-CD1 3.98Å; F614-F630 HydrophobicContact CD1-CD1 3.98Å; F614-F630 AromaticContact CD1-CD2 3.5Å; F614-F630 HydrophobicContact CD1-CD2 3.5Å; F614-F630 VanDerWaalsContact CD1-CD2 3.5Å; F614-F630 AromaticContact CD1-CE1 3.8Å; F614-F630 HydrophobicContact CD1-CE1 3.8Å; F614-F630 AromaticContact CD1-CE2 3.33Å; F614-F630 HydrophobicContact CD1-CE2 3.33Å; F614-F630 AromaticContact CD1-CG 3.85Å; F614-F630 HydrophobicContact CD1-CG 3.85Å; F614-F630 AromaticContact CD1-CZ 3.49Å; F614-F630 HydrophobicContact CD1-CZ 3.49Å; F614-F630 VanDerWaalsContact CD1-CZ 3.49Å; F614-F630 AromaticContact CE1-CD2 3.86Å; F614-F630 HydrophobicContact CE1-CD2 3.86Å; F614-F630 HydrophobicContact CE1-CE1 4.18Å; F614-F630 AromaticContact CE1-CE2 3.23Å; F614-F630 HydrophobicContact CE1-CE2 3.23Å; F614-F630 AromaticContact CE1-CZ 3.42Å; F614-F630 HydrophobicContact CE1-CZ 3.42Å; F614-F630 VanDerWaalsContact CE1-CZ 3.42Å; E626-F630 HydrophobicContact CG-CD2 3.71Å; E626-F630 HydrophobicContact CG-CE2 3.41Å; E626-F630 VanDerWaalsContact CG-CE2 3.41Å; E626-F630 WeakPolarHBondContact O-CD2 3.28Å; E626-F630 PolarHBondContact O-N 3.41Å; E626-F630 VanDerWaalsContact O-N 3.13Å; T628-F630 VanDerWaalsContact C-N 3.34Å; T628-F630 PolarHBondContact O-N 2.85Å; F630-A633 PolarHBondContact O-N 2.78Å; F630-A634 PolarHBondContact O-N 3.32Å |
| 631 | L | 96.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.5 | -39.9 | -180 | -68.5 | 171 | 0 | 0 | 0 | 112 | V612 L616 A627 T628 A633 A634 V635 I647 L648 F651 | V612-L631 HydrophobicContact CB-CD2 4.45Å; V612-L631 HydrophobicContact CG1-CD2 4.44Å; V612-L631 HydrophobicContact CG2-CD2 4.29Å; L616-L631 HydrophobicContact CD2-CD1 4.35Å; L616-L631 HydrophobicContact CD2-CD2 4.31Å; L616-L631 HydrophobicContact CG-CD2 4.34Å; A627-L631 WeakPolarHBondContact O-CB 3.47Å; A627-L631 VanDerWaalsContact O-CG 3.23Å; A627-L631 WeakPolarHBondContact O-CG 3.5Å; A627-L631 PolarHBondContact O-N 2.9Å; T628-L631 PolarHBondContact O-N 3.38Å; L631-A633 VanDerWaalsContact C-N 3.35Å; L631-A634 WeakPolarHBondContact O-CB 3.44Å; L631-A634 PolarHBondContact O-N 3.01Å; L631-V635 PolarHBondContact O-N 3.09Å; L631-I647 HydrophobicContact CD2-CG2 4.15Å; L631-L648 HydrophobicContact CB-CD1 3.67Å; L631-F651 HydrophobicContact CD1-CB 3.47Å; L631-F651 VanDerWaalsContact CD1-CB 3.47Å; L631-F651 HydrophobicContact CD1-CD1 3.49Å; L631-F651 VanDerWaalsContact CD1-CD1 3.49Å; L631-F651 HydrophobicContact CD1-CD2 3.89Å; L631-F651 HydrophobicContact CD1-CE1 4.19Å; L631-F651 HydrophobicContact CD1-CG 3.3Å |
| 632 | E | 96 | Very high | 94.1 | Very high | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 172.1 | -70 | -163.1 | 152.8 | 0 | 0 | 111.5 | T628 A634 V635 S636 L648 Y652 | T628-E632 HydrophobicContact CG2-CG 4.21Å; T628-E632 WeakPolarHBondContact O-CB 3.45Å; T628-E632 WeakPolarHBondContact O-CG 3.49Å; T628-E632 PolarHBondContact O-N 2.96Å; E632-A634 VanDerWaalsContact C-N 3.32Å; E632-A634 PolarHBondContact O-N 3.36Å; E632-V635 PolarHBondContact O-N 2.82Å; E632-S636 WeakPolarHBondContact O-CB 3.34Å; E632-S636 PolarHBondContact O-N 3.16Å; E632-L648 HydrophobicContact CG-CD1 4.26Å; E632-Y652 PolarHBondContact OE1-OH 2.92Å |
| 633 | A | 95.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L611 D629 F630 L631 V635 S636 H637 | L611-A633 HydrophobicContact CD1-CB 4.34Å; L611-A633 HydrophobicContact CD2-CB 4.43Å; D629-A633 WeakPolarHBondContact O-CB 3.4Å; D629-A633 PolarHBondContact O-N 3.15Å; F630-A633 PolarHBondContact O-N 2.78Å; L631-A633 VanDerWaalsContact C-N 3.35Å; A633-V635 VanDerWaalsContact C-N 3.34Å; A633-V635 PolarHBondContact O-N 3.42Å; A633-S636 WeakPolarHBondContact CA-OG 3.38Å; A633-S636 PolarHBondContact O-N 3.33Å; A633-S636 PolarHBondContact O-OG 2.99Å; A633-H637 PolarHBondContact O-CD2 3.39Å; A633-H637 PolarHBondContact O-N 2.92Å |
| 634 | A | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L611 V612 F630 L631 E632 H637 D638 | L611-A634 HydrophobicContact CB-CB 3.71Å; L611-A634 HydrophobicContact CD1-CB 4.33Å; V612-A634 HydrophobicContact CG2-CB 3.75Å; F630-A634 PolarHBondContact O-N 3.32Å; L631-A634 WeakPolarHBondContact O-CB 3.44Å; L631-A634 PolarHBondContact O-N 3.01Å; E632-A634 VanDerWaalsContact C-N 3.32Å; E632-A634 PolarHBondContact O-N 3.36Å; A634-H637 PolarHBondContact O-N 3.23Å; A634-D638 PolarHBondContact O-N 3.25Å; A634-D638 VanDerWaalsContact O-N 3.09Å |
| 635 | V | 95.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | L631 E632 A633 H637 D638 P639 L644 W645 L648 | L631-V635 PolarHBondContact O-N 3.09Å; E632-V635 PolarHBondContact O-N 2.82Å; A633-V635 VanDerWaalsContact C-N 3.34Å; A633-V635 PolarHBondContact O-N 3.42Å; V635-H637 VanDerWaalsContact C-N 3.3Å; V635-H637 PolarHBondContact O-N 3.06Å; V635-D638 CarbonylContact O-C 3.58Å; V635-P639 WeakPolarHBondContact O-CA 3.41Å; V635-P639 VanDerWaalsContact O-N 3.11Å; V635-L644 HydrophobicContact CG2-CB 3.9Å; V635-W645 HydrophobicContact CG1-CD2 3.53Å; V635-W645 HydrophobicContact CG1-CE3 3.72Å; V635-W645 HydrophobicContact CG1-CG 4.35Å; V635-W645 HydrophobicContact CG1-CH2 3.34Å; V635-W645 HydrophobicContact CG1-CZ2 3.11Å; V635-W645 HydrophobicContact CG1-CZ3 3.63Å; V635-W645 HydrophobicContact CG2-CD2 4.36Å; V635-W645 HydrophobicContact CG2-CE3 4.48Å; V635-L648 HydrophobicContact CG2-CB 4.25Å; V635-L648 HydrophobicContact CG2-CD2 3.99Å |
| 636 | S | 94.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -32.9 | 177.4 | 81.2 | 0 | 0 | 0 | 0 | 113 | E632 A633 | E632-S636 WeakPolarHBondContact O-CB 3.34Å; E632-S636 PolarHBondContact O-N 3.16Å; A633-S636 WeakPolarHBondContact CA-OG 3.38Å; A633-S636 PolarHBondContact O-N 3.33Å; A633-S636 PolarHBondContact O-OG 2.99Å |
| 637 | H | 93.3 | Very high | 95.1 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -83 | -32.9 | -179.2 | -74 | -45.3 | 0 | 0 | 0 | 113.1 | A633 A634 V635 P639 | A633-H637 PolarHBondContact O-CD2 3.39Å; A633-H637 PolarHBondContact O-N 2.92Å; A634-H637 PolarHBondContact O-N 3.23Å; V635-H637 VanDerWaalsContact C-N 3.3Å; V635-H637 PolarHBondContact O-N 3.06Å; H637-P639 VanDerWaalsContact C-CD 3.48Å |
| 638 | D | 92.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -128.2 | 68.8 | 176 | -176.2 | 17.3 | 0 | 0 | 0 | 111.4 | A634 V635 K640 N641 L644 | A634-D638 PolarHBondContact O-N 3.25Å; A634-D638 VanDerWaalsContact O-N 3.09Å; V635-D638 CarbonylContact O-C 3.58Å; D638-K640 PolarHBondContact O-N 3.35Å; D638-K640 VanDerWaalsContact O-N 3.14Å; D638-N641 VanDerWaalsContact CG-CB 3.46Å; D638-N641 PolarHBondContact O-N 2.99Å; D638-N641 WeakPolarHBondContact OD2-CB 3.43Å; D638-N641 PolarHBondContact OD2-ND2 2.75Å; D638-L644 HydrophobicContact CB-CD1 3.63Å |
| 639 | P | 93 | Very high | 95.2 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.4 | -171.1 | 27.9 | -36.4 | 0 | 0 | 0 | 114 | V635 H637 W645 L671 | V635-P639 WeakPolarHBondContact O-CA 3.41Å; V635-P639 VanDerWaalsContact O-N 3.11Å; H637-P639 VanDerWaalsContact C-CD 3.48Å; P639-W645 PolarHBondContact O-NE1 3.28Å; P639-W645 VanDerWaalsContact O-NE1 3.14Å; P639-L671 VanDerWaalsContact O-CD1 3.29Å; P639-L671 WeakPolarHBondContact O-CD1 3.4Å |
| 640 | K | 91.5 | Very high | 95.3 | Very high | 169 Ų | 169 | 36.9 Ų | 36.9 | 74% | 0.735 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -5.6 | -179.3 | -68 | -170.9 | 175.7 | -170 | 0 | 113.2 | D638 P642 | D638-K640 PolarHBondContact O-N 3.35Å; D638-K640 VanDerWaalsContact O-N 3.14Å; K640-P642 VanDerWaalsContact O-CD 3.29Å; K640-P642 WeakPolarHBondContact O-CD 3.35Å |
| 641 | N | 93.5 | Very high | 95.3 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | trans | -93.7 | 107.5 | -175.6 | -175.7 | -14.5 | 0 | 0 | 0 | 110.8 | D638 I643 L644 | D638-N641 VanDerWaalsContact CG-CB 3.46Å; D638-N641 PolarHBondContact O-N 2.99Å; D638-N641 WeakPolarHBondContact OD2-CB 3.43Å; D638-N641 PolarHBondContact OD2-ND2 2.75Å; N641-I643 PolarHBondContact O-N 3.38Å; N641-I643 WeakPolarHBondContact OD1-CB 3.16Å; N641-I643 PolarHBondContact OD1-N 3.32Å; N641-L644 HydrophobicContact CB-CD1 3.87Å; N641-L644 HydrophobicContact CB-CG 3.94Å; N641-L644 PolarHBondContact O-N 3.17Å | ||
| 642 | P | 93.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.071 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -23.8 | -174.8 | 29.6 | -36.8 | 0 | 0 | 0 | 112.8 | K640 L644 W645 V646 L671 L804 | K640-P642 VanDerWaalsContact O-CD 3.29Å; K640-P642 WeakPolarHBondContact O-CD 3.35Å; P642-L644 VanDerWaalsContact C-N 3.32Å; P642-L644 PolarHBondContact O-N 2.62Å; P642-W645 PolarHBondContact O-N 3.13Å; P642-V646 PolarHBondContact O-N 2.91Å; P642-V646 VanDerWaalsContact O-N 3.09Å; P642-L671 HydrophobicContact CB-CB 4.13Å; P642-L804 HydrophobicContact CB-CD1 3.65Å; P642-L804 HydrophobicContact CB-CD2 4.14Å; P642-L804 HydrophobicContact CG-CD1 3.79Å |
| 643 | I | 95.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.3 | -62.8 | 174.1 | 0 | 0 | 0 | 110.5 | N641 W645 V646 I647 L804 R807 T808 F811 | N641-I643 PolarHBondContact O-N 3.38Å; N641-I643 WeakPolarHBondContact OD1-CB 3.16Å; N641-I643 PolarHBondContact OD1-N 3.32Å; I643-W645 VanDerWaalsContact C-N 3.32Å; I643-W645 PolarHBondContact O-N 2.69Å; I643-V646 PolarHBondContact O-N 2.9Å; I643-I647 HydrophobicContact CG2-CD1 3.87Å; I643-I647 HydrophobicContact CG2-CG1 4.41Å; I643-I647 VanDerWaalsContact O-CG1 3.3Å; I643-I647 WeakPolarHBondContact O-CG1 3.48Å; I643-I647 PolarHBondContact O-N 3.48Å; I643-L804 HydrophobicContact CG1-CD1 4.36Å; I643-R807 HydrophobicContact CD1-CB 4.41Å; I643-T808 HydrophobicContact CG2-CG2 4.07Å; I643-F811 HydrophobicContact CG2-CB 4.38Å; I643-F811 HydrophobicContact CG2-CD1 4.19Å; I643-F811 HydrophobicContact CG2-CG 4.23Å |
| 644 | L | 96.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 179.6 | -56.3 | -179.4 | 0 | 0 | 0 | 111.6 | V612 V635 D638 N641 P642 I647 L648 | V612-L644 HydrophobicContact CG2-CD2 3.57Å; V635-L644 HydrophobicContact CG2-CB 3.9Å; D638-L644 HydrophobicContact CB-CD1 3.63Å; N641-L644 HydrophobicContact CB-CD1 3.87Å; N641-L644 HydrophobicContact CB-CG 3.94Å; N641-L644 PolarHBondContact O-N 3.17Å; P642-L644 VanDerWaalsContact C-N 3.32Å; P642-L644 PolarHBondContact O-N 2.62Å; L644-I647 PolarHBondContact O-N 3.2Å; L644-L648 WeakPolarHBondContact O-CB 3.38Å; L644-L648 PolarHBondContact O-N 3.4Å |
| 645 | W | 97.4 | Very high | 95 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 175.4 | -71.4 | 103.5 | 0 | 0 | 0 | 112.4 | V635 P639 P642 I643 L648 G649 A664 E667 A668 L671 | V635-W645 HydrophobicContact CG1-CD2 3.53Å; V635-W645 HydrophobicContact CG1-CE3 3.72Å; V635-W645 HydrophobicContact CG1-CG 4.35Å; V635-W645 HydrophobicContact CG1-CH2 3.34Å; V635-W645 HydrophobicContact CG1-CZ2 3.11Å; V635-W645 HydrophobicContact CG1-CZ3 3.63Å; V635-W645 HydrophobicContact CG2-CD2 4.36Å; V635-W645 HydrophobicContact CG2-CE3 4.48Å; P639-W645 PolarHBondContact O-NE1 3.28Å; P639-W645 VanDerWaalsContact O-NE1 3.14Å; P642-W645 PolarHBondContact O-N 3.13Å; I643-W645 VanDerWaalsContact C-N 3.32Å; I643-W645 PolarHBondContact O-N 2.69Å; W645-L648 HydrophobicContact CE3-CD2 4.27Å; W645-L648 HydrophobicContact CZ3-CD2 4.36Å; W645-L648 PolarHBondContact O-N 2.99Å; W645-G649 PolarHBondContact O-N 2.92Å; W645-A664 HydrophobicContact CE3-CB 4.24Å; W645-A664 WeakPolarHBondContact O-CB 3.29Å; W645-E667 HydrophobicContact CD2-CB 3.95Å; W645-E667 HydrophobicContact CE3-CB 3.99Å; W645-E667 HydrophobicContact CG-CB 4.43Å; W645-E667 HydrophobicContact CH2-CB 4.49Å; W645-E667 HydrophobicContact CH2-CG 4.42Å; W645-E667 HydrophobicContact CZ2-CB 4.46Å; W645-E667 HydrophobicContact CZ3-CB 4.27Å; W645-E667 HydrophobicContact CZ3-CG 4.38Å; W645-A668 HydrophobicContact CB-CB 3.61Å; W645-L671 HydrophobicContact CG-CD1 4.42Å |
| 646 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | P642 I643 L648 G649 L650 L665 A668 L804 F805 T808 | P642-V646 PolarHBondContact O-N 2.91Å; P642-V646 VanDerWaalsContact O-N 3.09Å; I643-V646 PolarHBondContact O-N 2.9Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 2.95Å; V646-G649 CarbonylContact O-C 3.59Å; V646-G649 WeakPolarHBondContact O-CA 3.34Å; V646-G649 PolarHBondContact O-N 2.95Å; V646-L650 HydrophobicContact CG1-CD1 4.12Å; V646-L650 HydrophobicContact CG1-CG 4.15Å; V646-L650 WeakPolarHBondContact O-CG 3.39Å; V646-L650 PolarHBondContact O-N 3.21Å; V646-L665 HydrophobicContact CG1-CD2 4.43Å; V646-L665 HydrophobicContact CG2-CD2 4.49Å; V646-A668 HydrophobicContact CG2-CB 3.72Å; V646-L804 HydrophobicContact CG2-CD1 4.32Å; V646-L804 HydrophobicContact CG2-CD2 3.6Å; V646-L804 HydrophobicContact CG2-CG 3.71Å; V646-F805 HydrophobicContact CG1-CD1 3.76Å; V646-F805 HydrophobicContact CG1-CE1 3.87Å; V646-F805 HydrophobicContact CG2-CE1 4.41Å; V646-T808 HydrophobicContact CB-CG2 4.07Å; V646-T808 HydrophobicContact CG1-CG2 3.73Å |
| 647 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 179.8 | -66.8 | 171.3 | 0 | 0 | 0 | 111.5 | V612 L616 L631 I643 L644 G649 L650 F651 T808 F811 L812 | V612-I647 HydrophobicContact CG1-CD1 3.92Å; V612-I647 HydrophobicContact CG1-CG2 3.92Å; L616-I647 HydrophobicContact CD1-CG2 3.92Å; L616-I647 HydrophobicContact CD2-CG2 3.79Å; L616-I647 HydrophobicContact CG-CG2 4.15Å; L631-I647 HydrophobicContact CD2-CG2 4.15Å; I643-I647 HydrophobicContact CG2-CD1 3.87Å; I643-I647 HydrophobicContact CG2-CG1 4.41Å; I643-I647 VanDerWaalsContact O-CG1 3.3Å; I643-I647 WeakPolarHBondContact O-CG1 3.48Å; I643-I647 PolarHBondContact O-N 3.48Å; L644-I647 PolarHBondContact O-N 3.2Å; I647-G649 VanDerWaalsContact C-N 3.33Å; I647-G649 PolarHBondContact O-N 2.76Å; I647-L650 PolarHBondContact O-N 3.02Å; I647-F651 PolarHBondContact O-N 2.97Å; I647-T808 HydrophobicContact CD1-CG2 4.34Å; I647-T808 HydrophobicContact CG1-CG2 3.66Å; I647-F811 HydrophobicContact CD1-CD1 3.75Å; I647-F811 HydrophobicContact CD1-CE1 3.67Å; I647-L812 HydrophobicContact CD1-CD2 4.04Å; I647-L812 HydrophobicContact CD1-CG 4.45Å; I647-L812 HydrophobicContact CG1-CD1 4.45Å; I647-L812 HydrophobicContact CG1-CD2 4.28Å |
| 648 | L | 97.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 173.5 | 180 | 64.9 | 0 | 0 | 0 | 111.5 | L631 E632 V635 L644 W645 V646 F651 Y652 A664 | L631-L648 HydrophobicContact CB-CD1 3.67Å; E632-L648 HydrophobicContact CG-CD1 4.26Å; V635-L648 HydrophobicContact CG2-CB 4.25Å; V635-L648 HydrophobicContact CG2-CD2 3.99Å; L644-L648 WeakPolarHBondContact O-CB 3.38Å; L644-L648 PolarHBondContact O-N 3.4Å; W645-L648 HydrophobicContact CE3-CD2 4.27Å; W645-L648 HydrophobicContact CZ3-CD2 4.36Å; W645-L648 PolarHBondContact O-N 2.99Å; V646-L648 VanDerWaalsContact C-N 3.32Å; V646-L648 PolarHBondContact O-N 2.95Å; L648-F651 PolarHBondContact O-N 3.49Å; L648-Y652 HydrophobicContact CD1-CD2 4.15Å; L648-Y652 HydrophobicContact CD1-CE2 3.68Å; L648-Y652 HydrophobicContact CD2-CE2 4.01Å; L648-Y652 HydrophobicContact CG-CD2 3.93Å; L648-Y652 HydrophobicContact CG-CE2 3.65Å; L648-Y652 PolarHBondContact O-N 3.49Å; L648-A664 HydrophobicContact CD2-CB 4.42Å; L648-A664 HydrophobicContact CG-CB 4.38Å |
| 649 | G | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W645 V646 I647 F651 Y652 E653 | W645-G649 PolarHBondContact O-N 2.92Å; V646-G649 CarbonylContact O-C 3.59Å; V646-G649 WeakPolarHBondContact O-CA 3.34Å; V646-G649 PolarHBondContact O-N 2.95Å; I647-G649 VanDerWaalsContact C-N 3.33Å; I647-G649 PolarHBondContact O-N 2.76Å; G649-F651 VanDerWaalsContact C-N 3.33Å; G649-F651 PolarHBondContact O-N 2.71Å; G649-Y652 PolarHBondContact O-N 3.41Å; G649-E653 PolarHBondContact O-N 3.11Å |
| 650 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.1 | -63.3 | 175.8 | 0 | 0 | 0 | 111.2 | V646 I647 E653 T654 T808 L812 F820 M823 A824 H827 | V646-L650 HydrophobicContact CG1-CD1 4.12Å; V646-L650 HydrophobicContact CG1-CG 4.15Å; V646-L650 WeakPolarHBondContact O-CG 3.39Å; V646-L650 PolarHBondContact O-N 3.21Å; I647-L650 PolarHBondContact O-N 3.02Å; L650-E653 WeakPolarHBondContact O-CB 3.31Å; L650-E653 PolarHBondContact O-N 3.01Å; L650-T654 WeakPolarHBondContact O-CG2 3.42Å; L650-T654 PolarHBondContact O-N 3.44Å; L650-T808 HydrophobicContact CD1-CG2 4.42Å; L650-L812 HydrophobicContact CD1-CD1 4.18Å; L650-F820 HydrophobicContact CB-CD1 4.34Å; L650-M823 HydrophobicContact CB-CE 4.48Å; L650-M823 HydrophobicContact CD2-CB 3.93Å; L650-M823 WeakPolarHBondContact O-CE 3.37Å; L650-A824 HydrophobicContact CD1-CB 3.82Å; L650-H827 VanDerWaalsContact CD2-CD2 3.42Å; L650-H827 WeakPolarHBondContact CD2-CD2 3.38Å |
| 651 | F | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 172.5 | 168.1 | -105.9 | 0 | 0 | 0 | 111.8 | A619 A627 T628 L631 I647 L648 G649 E653 T654 I655 | A619-F651 HydrophobicContact CB-CD2 3.64Å; A619-F651 HydrophobicContact CB-CE2 3.58Å; A627-F651 HydrophobicContact CB-CD2 4.41Å; A627-F651 HydrophobicContact CB-CE1 4.5Å; A627-F651 HydrophobicContact CB-CE2 3.58Å; A627-F651 HydrophobicContact CB-CZ 3.63Å; T628-F651 WeakPolarHBondContact OG1-CE1 3.46Å; L631-F651 HydrophobicContact CD1-CB 3.47Å; L631-F651 VanDerWaalsContact CD1-CB 3.47Å; L631-F651 HydrophobicContact CD1-CD1 3.49Å; L631-F651 VanDerWaalsContact CD1-CD1 3.49Å; L631-F651 HydrophobicContact CD1-CD2 3.89Å; L631-F651 HydrophobicContact CD1-CE1 4.19Å; L631-F651 HydrophobicContact CD1-CG 3.3Å; I647-F651 PolarHBondContact O-N 2.97Å; L648-F651 PolarHBondContact O-N 3.49Å; G649-F651 VanDerWaalsContact C-N 3.33Å; G649-F651 PolarHBondContact O-N 2.71Å; F651-E653 PolarHBondContact O-N 3.29Å; F651-T654 WeakPolarHBondContact O-CA 3.41Å; F651-T654 WeakPolarHBondContact O-CB 3.47Å; F651-T654 PolarHBondContact O-N 2.94Å; F651-T654 PolarHBondContact O-OG1 2.84Å; F651-I655 HydrophobicContact CE1-CD1 4.04Å; F651-I655 HydrophobicContact CE2-CG2 3.85Å; F651-I655 HydrophobicContact CZ-CD1 4.2Å; F651-I655 HydrophobicContact CZ-CG2 3.87Å; F651-I655 PolarHBondContact O-N 3.44Å |
| 652 | Y | 96.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 40 Ų | 40 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 177.7 | -79 | -36.4 | 0 | 0 | 0 | 113.7 | T628 E632 L648 G649 I655 S656 N657 G660 | T628-Y652 HydrophobicContact CG2-CE1 4.19Å; E632-Y652 PolarHBondContact OE1-OH 2.92Å; L648-Y652 HydrophobicContact CD1-CD2 4.15Å; L648-Y652 HydrophobicContact CD1-CE2 3.68Å; L648-Y652 HydrophobicContact CD2-CE2 4.01Å; L648-Y652 HydrophobicContact CG-CD2 3.93Å; L648-Y652 HydrophobicContact CG-CE2 3.65Å; L648-Y652 PolarHBondContact O-N 3.49Å; G649-Y652 PolarHBondContact O-N 3.41Å; Y652-I655 HydrophobicContact CD1-CD1 3.74Å; Y652-I655 HydrophobicContact CD1-CG1 4.12Å; Y652-I655 HydrophobicContact CE1-CD1 4.13Å; Y652-I655 WeakPolarHBondContact O-CG1 3.17Å; Y652-I655 PolarHBondContact O-N 3.1Å; Y652-S656 PolarHBondContact O-N 3.49Å; Y652-S656 VanDerWaalsContact O-N 3.09Å; Y652-N657 HydrophobicContact CD1-CB 4Å; Y652-N657 HydrophobicContact CG-CB 4.34Å; Y652-N657 PolarHBondContact O-N 3.28Å; Y652-G660 VanDerWaalsContact CD2-C 3.44Å |
| 653 | E | 94.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67 | -40 | 171.8 | -174.4 | 177.3 | -175.1 | 0 | 0 | 111.7 | G649 L650 F651 I655 S656 V661 M823 H827 | G649-E653 PolarHBondContact O-N 3.11Å; L650-E653 WeakPolarHBondContact O-CB 3.31Å; L650-E653 PolarHBondContact O-N 3.01Å; F651-E653 PolarHBondContact O-N 3.29Å; E653-I655 PolarHBondContact O-N 2.9Å; E653-S656 PolarHBondContact O-N 3.01Å; E653-V661 HydrophobicContact CB-CG2 3.95Å; E653-V661 VanDerWaalsContact N-CG2 3.3Å; E653-M823 HydrophobicContact CB-CE 3.83Å; E653-M823 HydrophobicContact CG-CE 3.88Å; E653-M823 WeakPolarHBondContact OE2-CE 3.48Å; E653-H827 IonicContact OE1-NE2 3.99Å; E653-H827 IonicContact OE2-CD2 3.89Å; E653-H827 IonicContact OE2-CE1 3.74Å; E653-H827 IonicContact OE2-NE2 3.91Å; E653-H827 PolarHBondContact OE2-NE2 3.16Å |
| 654 | T | 93.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -34.1 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 113 | L650 F651 F820 M823 | L650-T654 WeakPolarHBondContact O-CG2 3.42Å; L650-T654 PolarHBondContact O-N 3.44Å; F651-T654 WeakPolarHBondContact O-CA 3.41Å; F651-T654 WeakPolarHBondContact O-CB 3.47Å; F651-T654 PolarHBondContact O-N 2.94Å; F651-T654 PolarHBondContact O-OG1 2.84Å; T654-F820 HydrophobicContact CG2-CE1 3.94Å; T654-M823 HydrophobicContact CG2-CE 3.72Å; T654-M823 HydrophobicContact CG2-SD 3.54Å; T654-M823 VanDerWaalsContact CG2-SD 3.54Å |
| 655 | I | 93.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.1 | 177 | 69.5 | 165.4 | 0 | 0 | 0 | 113.4 | N624 F651 Y652 E653 N657 | N624-I655 HydrophobicContact CB-CG2 4.07Å; F651-I655 HydrophobicContact CE1-CD1 4.04Å; F651-I655 HydrophobicContact CE2-CG2 3.85Å; F651-I655 HydrophobicContact CZ-CD1 4.2Å; F651-I655 HydrophobicContact CZ-CG2 3.87Å; F651-I655 PolarHBondContact O-N 3.44Å; Y652-I655 HydrophobicContact CD1-CD1 3.74Å; Y652-I655 HydrophobicContact CD1-CG1 4.12Å; Y652-I655 HydrophobicContact CE1-CD1 4.13Å; Y652-I655 WeakPolarHBondContact O-CG1 3.17Å; Y652-I655 PolarHBondContact O-N 3.1Å; E653-I655 PolarHBondContact O-N 2.9Å; I655-N657 VanDerWaalsContact C-N 3.33Å; I655-N657 HydrophobicContact CD1-CB 4.16Å; I655-N657 HydrophobicContact CG1-CB 4.01Å; I655-N657 PolarHBondContact O-N 2.87Å |
| 656 | S | 92.1 | Very high | 94.5 | Very high | 94 Ų | 94 | 45.8 Ų | 45.8 | 66% | 0.657 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 37.1 | -179.4 | -52.3 | 0 | 0 | 0 | 0 | 114.6 | Y652 E653 D658 | Y652-S656 PolarHBondContact O-N 3.49Å; Y652-S656 VanDerWaalsContact O-N 3.09Å; E653-S656 PolarHBondContact O-N 3.01Å; S656-D658 PolarHBondContact O-N 3.29Å |
| 657 | N | 93.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -92.9 | 80.3 | 174 | -179.2 | 6.8 | 0 | 0 | 0 | 110.9 | Y652 I655 I659 G660 V661 | Y652-N657 HydrophobicContact CD1-CB 4Å; Y652-N657 HydrophobicContact CG-CB 4.34Å; Y652-N657 PolarHBondContact O-N 3.28Å; I655-N657 VanDerWaalsContact C-N 3.33Å; I655-N657 HydrophobicContact CD1-CB 4.16Å; I655-N657 HydrophobicContact CG1-CB 4.01Å; I655-N657 PolarHBondContact O-N 2.87Å; N657-I659 VanDerWaalsContact C-N 3.27Å; N657-I659 PolarHBondContact O-N 3.43Å; N657-G660 PolarHBondContact O-N 3.05Å; N657-G660 PolarHBondContact OD1-N 2.84Å; N657-V661 WeakPolarHBondContact O-CG2 3.31Å; N657-V661 PolarHBondContact O-N 3.23Å | ||
| 658 | D | 91.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 48.5 Ų | 48.5 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.3 | -38.9 | -174.6 | -60.5 | -40.4 | 0 | 0 | 0 | 113.5 | S656 V661 D662 | S656-D658 PolarHBondContact O-N 3.29Å; D658-V661 PolarHBondContact O-N 3.11Å; D658-D662 PolarHBondContact O-N 2.94Å |
| 659 | I | 93.4 | Very high | 93.9 | Very high | 136 Ų | 136 | 54 Ų | 54 | 70% | 0.697 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 179.5 | -58.8 | 172.1 | 0 | 0 | 0 | 110.4 | N657 M663 | N657-I659 VanDerWaalsContact C-N 3.27Å; N657-I659 PolarHBondContact O-N 3.43Å; I659-M663 WeakPolarHBondContact O-CB 3.41Å; I659-M663 PolarHBondContact O-N 3.27Å |
| 660 | G | 92.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 61 Ų | 61 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y652 N657 M663 A664 | Y652-G660 VanDerWaalsContact CD2-C 3.44Å; N657-G660 PolarHBondContact O-N 3.05Å; N657-G660 PolarHBondContact OD1-N 2.84Å; G660-M663 PolarHBondContact O-N 3.28Å; G660-A664 VanDerWaalsContact O-CB 3.31Å; G660-A664 WeakPolarHBondContact O-CB 3.17Å; G660-A664 PolarHBondContact O-N 3.35Å |
| 661 | V | 93.5 | Very high | 93.4 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -54 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | E653 N657 D658 M663 A664 L665 | E653-V661 HydrophobicContact CB-CG2 3.95Å; E653-V661 VanDerWaalsContact N-CG2 3.3Å; N657-V661 WeakPolarHBondContact O-CG2 3.31Å; N657-V661 PolarHBondContact O-N 3.23Å; D658-V661 PolarHBondContact O-N 3.11Å; V661-M663 VanDerWaalsContact C-N 3.33Å; V661-M663 PolarHBondContact O-N 3.41Å; V661-A664 PolarHBondContact O-N 3.01Å; V661-L665 HydrophobicContact CG1-CD1 3.7Å; V661-L665 HydrophobicContact CG1-CG 4.3Å; V661-L665 WeakPolarHBondContact O-CB 3.48Å; V661-L665 WeakPolarHBondContact O-CG 3.34Å; V661-L665 PolarHBondContact O-N 3.46Å |
| 662 | D | 93.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | -178.7 | -82.8 | -24.3 | 0 | 0 | 0 | 111.7 | D658 N666 | D658-D662 PolarHBondContact O-N 2.94Å; D662-N666 WeakPolarHBondContact O-CB 3.1Å; D662-N666 PolarHBondContact O-N 3.24Å; D662-N666 VanDerWaalsContact O-N 3.07Å; D662-N666 PolarHBondContact O-ND2 3.44Å |
| 663 | M | 95.4 | Very high | 92.2 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.7 | -54.4 | 176.8 | -173.7 | -148 | -60.3 | 0 | 0 | 111.2 | I659 G660 V661 N666 E667 | I659-M663 WeakPolarHBondContact O-CB 3.41Å; I659-M663 PolarHBondContact O-N 3.27Å; G660-M663 PolarHBondContact O-N 3.28Å; V661-M663 VanDerWaalsContact C-N 3.33Å; V661-M663 PolarHBondContact O-N 3.41Å; M663-N666 PolarHBondContact O-N 3.4Å; M663-E667 PolarHBondContact O-N 3.48Å |
| 664 | A | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W645 L648 G660 V661 E667 A668 | W645-A664 HydrophobicContact CE3-CB 4.24Å; W645-A664 WeakPolarHBondContact O-CB 3.29Å; L648-A664 HydrophobicContact CD2-CB 4.42Å; L648-A664 HydrophobicContact CG-CB 4.38Å; G660-A664 VanDerWaalsContact O-CB 3.31Å; G660-A664 WeakPolarHBondContact O-CB 3.17Å; G660-A664 PolarHBondContact O-N 3.35Å; V661-A664 PolarHBondContact O-N 3.01Å; A664-E667 PolarHBondContact O-N 3.07Å; A664-A668 WeakPolarHBondContact O-CB 3.35Å; A664-A668 PolarHBondContact O-N 3.47Å |
| 665 | L | 94.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -31 | 178.5 | -64.8 | -178 | 0 | 0 | 0 | 113 | V646 V661 R669 F805 | V646-L665 HydrophobicContact CG1-CD2 4.43Å; V646-L665 HydrophobicContact CG2-CD2 4.49Å; V661-L665 HydrophobicContact CG1-CD1 3.7Å; V661-L665 HydrophobicContact CG1-CG 4.3Å; V661-L665 WeakPolarHBondContact O-CB 3.48Å; V661-L665 WeakPolarHBondContact O-CG 3.34Å; V661-L665 PolarHBondContact O-N 3.46Å; L665-R669 WeakPolarHBondContact O-CG 3.38Å; L665-R669 PolarHBondContact O-N 3.02Å; L665-R669 VanDerWaalsContact O-N 3.12Å; L665-R669 PolarHBondContact O-NE 3.46Å; L665-F805 HydrophobicContact CD2-CE1 3.98Å; L665-F805 HydrophobicContact CD2-CZ 4.31Å |
| 666 | N | 93.7 | Very high | 87.4 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 173.1 | -74.8 | -28.8 | 0 | 0 | 0 | 111.8 | D662 M663 R669 R670 | D662-N666 WeakPolarHBondContact O-CB 3.1Å; D662-N666 PolarHBondContact O-N 3.24Å; D662-N666 VanDerWaalsContact O-N 3.07Å; D662-N666 PolarHBondContact O-ND2 3.44Å; M663-N666 PolarHBondContact O-N 3.4Å; N666-R669 PolarHBondContact O-N 3.24Å; N666-R669 PolarHBondContact OD1-NH2 2.86Å; N666-R670 WeakPolarHBondContact O-CB 3.41Å; N666-R670 PolarHBondContact O-N 2.96Å |
| 667 | E | 93.5 | Very high | 85.3 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.5 | -75.7 | -61.5 | 153.1 | 0 | 0 | 111.9 | W645 M663 A664 R669 R670 L671 | W645-E667 HydrophobicContact CD2-CB 3.95Å; W645-E667 HydrophobicContact CE3-CB 3.99Å; W645-E667 HydrophobicContact CG-CB 4.43Å; W645-E667 HydrophobicContact CH2-CB 4.49Å; W645-E667 HydrophobicContact CH2-CG 4.42Å; W645-E667 HydrophobicContact CZ2-CB 4.46Å; W645-E667 HydrophobicContact CZ3-CB 4.27Å; W645-E667 HydrophobicContact CZ3-CG 4.38Å; M663-E667 PolarHBondContact O-N 3.48Å; A664-E667 PolarHBondContact O-N 3.07Å; E667-R669 VanDerWaalsContact C-N 3.35Å; E667-R669 PolarHBondContact O-N 3.49Å; E667-R670 PolarHBondContact O-N 3.28Å; E667-R670 IonicContact OE1-NE 2.95Å; E667-R670 IonicContact OE1-NH2 3.87Å; E667-R670 IonicContact OE2-CZ 2.71Å; E667-R670 IonicContact OE2-NE 3.01Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 3.94Å; E667-R670 PolarHBondContact OE2-NH2 3.21Å; E667-L671 WeakPolarHBondContact O-CG 2.99Å; E667-L671 PolarHBondContact O-N 2.64Å |
| 668 | A | 93.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | W645 V646 A664 L671 D672 L804 | W645-A668 HydrophobicContact CB-CB 3.61Å; V646-A668 HydrophobicContact CG2-CB 3.72Å; A664-A668 WeakPolarHBondContact O-CB 3.35Å; A664-A668 PolarHBondContact O-N 3.47Å; A668-L671 PolarHBondContact O-N 3.11Å; A668-D672 PolarHBondContact O-N 3.01Å; A668-D672 VanDerWaalsContact O-N 3.1Å; A668-L804 HydrophobicContact CB-CD2 3.8Å |
| 669 | R | 91.1 | Very high | 80.8 | Confident | 123 Ų | 123 | 74.1 Ų | 74.1 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.1 | -75.4 | -173.7 | -72.8 | -176.4 | -2.1 | 112.5 | L665 N666 E667 L671 D672 E673 | L665-R669 WeakPolarHBondContact O-CG 3.38Å; L665-R669 PolarHBondContact O-N 3.02Å; L665-R669 VanDerWaalsContact O-N 3.12Å; L665-R669 PolarHBondContact O-NE 3.46Å; N666-R669 PolarHBondContact O-N 3.24Å; N666-R669 PolarHBondContact OD1-NH2 2.86Å; E667-R669 VanDerWaalsContact C-N 3.35Å; E667-R669 PolarHBondContact O-N 3.49Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.45Å; R669-D672 PolarHBondContact O-N 2.97Å; R669-D672 VanDerWaalsContact O-N 3.16Å; R669-E673 WeakPolarHBondContact O-CG 3.29Å; R669-E673 PolarHBondContact O-N 3.48Å |
| 670 | R | 90.4 | Very high | 78.1 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 56% | 0.555 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.7 | -42.2 | 177.3 | -175.3 | -178.9 | 73.9 | 95.2 | -1.1 | 111.9 | N666 E667 G674 | N666-R670 WeakPolarHBondContact O-CB 3.41Å; N666-R670 PolarHBondContact O-N 2.96Å; E667-R670 PolarHBondContact O-N 3.28Å; E667-R670 IonicContact OE1-NE 2.95Å; E667-R670 IonicContact OE1-NH2 3.87Å; E667-R670 IonicContact OE2-CZ 2.71Å; E667-R670 IonicContact OE2-NE 3.01Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 3.94Å; E667-R670 PolarHBondContact OE2-NH2 3.21Å; R670-G674 PolarHBondContact O-N 3.48Å |
| 671 | L | 90.7 | Very high | 75 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 177.4 | -71.4 | 170.9 | 0 | 0 | 0 | 111.8 | P639 P642 W645 E667 A668 R669 G674 D675 | P639-L671 VanDerWaalsContact O-CD1 3.29Å; P639-L671 WeakPolarHBondContact O-CD1 3.4Å; P642-L671 HydrophobicContact CB-CB 4.13Å; W645-L671 HydrophobicContact CG-CD1 4.42Å; E667-L671 WeakPolarHBondContact O-CG 2.99Å; E667-L671 PolarHBondContact O-N 2.64Å; A668-L671 PolarHBondContact O-N 3.11Å; R669-L671 VanDerWaalsContact C-N 3.29Å; R669-L671 PolarHBondContact O-N 3.45Å; L671-G674 PolarHBondContact O-N 2.92Å; L671-D675 PolarHBondContact O-N 3.01Å |
| 672 | D | 85.8 | Confident | 71.7 | Confident | 27 Ų | 27 | 82.1 Ų | 82.1 | 14% | 0.144 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 179.6 | -154.1 | 40.8 | 0 | 0 | 0 | 112.7 | A668 R669 R801 L804 R807 | A668-D672 PolarHBondContact O-N 3.01Å; A668-D672 VanDerWaalsContact O-N 3.1Å; R669-D672 PolarHBondContact O-N 2.97Å; R669-D672 VanDerWaalsContact O-N 3.16Å; D672-R801 IonicContact OD1-CZ 2.68Å; D672-R801 VanDerWaalsContact OD1-CZ 3.28Å; D672-R801 IonicContact OD1-NE 3.64Å; D672-R801 PolarHBondContact OD1-NE 3.5Å; D672-R801 IonicContact OD1-NH2 2.76Å; D672-R801 PolarHBondContact OD1-NH2 3.46Å; D672-L804 HydrophobicContact CB-CD2 4.33Å; D672-R807 IonicContact OD1-CZ 3.16Å; D672-R807 IonicContact OD1-NH1 3.9Å; D672-R807 IonicContact OD1-NH2 2.95Å; D672-R807 PolarHBondContact OD1-NH2 3.45Å; D672-R807 IonicContact OD2-NH2 2.68Å; D672-R807 PolarHBondContact OD2-NH2 2.92Å |
| 673 | E | 82 | Confident | 68.5 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 174.3 | -70.8 | 176.4 | -171.4 | 0 | 0 | 112.6 | R669 D675 E676 Q677 | R669-E673 WeakPolarHBondContact O-CG 3.29Å; R669-E673 PolarHBondContact O-N 3.48Å; E673-D675 VanDerWaalsContact C-N 3.35Å; E673-D675 PolarHBondContact O-N 3.3Å; E673-E676 PolarHBondContact O-N 3.22Å; E673-Q677 PolarHBondContact O-N 3.24Å |
| 674 | G | 72.4 | Confident | 65.1 | Low | 33 Ų | 33 | 87.9 Ų | 87.9 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R670 L671 E676 Q677 D678 | R670-G674 PolarHBondContact O-N 3.48Å; L671-G674 PolarHBondContact O-N 2.92Å; G674-E676 VanDerWaalsContact C-N 3.28Å; G674-E676 PolarHBondContact O-N 2.6Å; G674-Q677 PolarHBondContact O-N 3.4Å; G674-D678 PolarHBondContact O-N 3.29Å |
| 675 | D | 58 | Low | 61.7 | Low | 71 Ų | 71 | 93.1 Ų | 93.1 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -31.8 | 175 | -78.2 | -16.2 | 0 | 0 | 0 | 112.5 | L671 E673 I679 R801 | L671-D675 PolarHBondContact O-N 3.01Å; E673-D675 VanDerWaalsContact C-N 3.35Å; E673-D675 PolarHBondContact O-N 3.3Å; D675-I679 WeakPolarHBondContact O-CD1 3.39Å; D675-I679 VanDerWaalsContact O-CG1 3.23Å; D675-I679 WeakPolarHBondContact O-CG1 3.05Å; D675-I679 PolarHBondContact O-N 3.42Å; D675-R801 VanDerWaalsContact CB-NH1 3.27Å; D675-R801 IonicContact OD2-CZ 3.28Å; D675-R801 IonicContact OD2-NH1 3.6Å; D675-R801 IonicContact OD2-NH2 3.04Å; D675-R801 PolarHBondContact OD2-NH2 2.96Å |
| 676 | E | 51.7 | Low | 58.2 | Low | 109 Ų | 109 | 101.4 Ų | 101.4 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 178.2 | -68.6 | -167.3 | 155.5 | 0 | 0 | 112.2 | E673 G674 I679 V680 | E673-E676 PolarHBondContact O-N 3.22Å; G674-E676 VanDerWaalsContact C-N 3.28Å; G674-E676 PolarHBondContact O-N 2.6Å; E676-I679 PolarHBondContact O-N 2.97Å; E676-V680 WeakPolarHBondContact O-CG2 3.05Å; E676-V680 PolarHBondContact O-N 3.24Å |
| 677 | Q | 48 | Very low | 54.8 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71 | -32.7 | -178.7 | -64.7 | -176.8 | 16.8 | 0 | 0 | 112.8 | E673 G674 I679 N681 | E673-Q677 PolarHBondContact O-N 3.24Å; G674-Q677 PolarHBondContact O-N 3.4Å; Q677-I679 VanDerWaalsContact C-N 3.35Å; Q677-N681 WeakPolarHBondContact O-CB 3.16Å; Q677-N681 PolarHBondContact O-N 3.05Å; Q677-N681 PolarHBondContact O-ND2 2.9Å |
| 678 | D | 48.5 | Very low | 51.4 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 70% | 0.695 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71 | -30.2 | 174.8 | -79.9 | -15.7 | 0 | 0 | 0 | 111.9 | G674 | G674-D678 PolarHBondContact O-N 3.29Å |
| 679 | I | 40.8 | Very low | 48 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.5 | -42.8 | 177 | -66 | 166.4 | 0 | 0 | 0 | 111.5 | D675 E676 Q677 N681 S682 | D675-I679 WeakPolarHBondContact O-CD1 3.39Å; D675-I679 VanDerWaalsContact O-CG1 3.23Å; D675-I679 WeakPolarHBondContact O-CG1 3.05Å; D675-I679 PolarHBondContact O-N 3.42Å; E676-I679 PolarHBondContact O-N 2.97Å; Q677-I679 VanDerWaalsContact C-N 3.35Å; I679-N681 VanDerWaalsContact C-N 3.29Å; I679-N681 PolarHBondContact O-N 3.16Å; I679-S682 PolarHBondContact O-N 3.12Å; I679-S682 PolarHBondContact O-OG 3.11Å |
| 680 | V | 35.9 | Very low | 44.9 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 70% | 0.703 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -27.3 | -179.2 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | E676 S682 | E676-V680 WeakPolarHBondContact O-CG2 3.05Å; E676-V680 PolarHBondContact O-N 3.24Å; V680-S682 PolarHBondContact O-N 3.02Å |
| 681 | N | 28.5 | Very low | 41.6 | Very low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 14.1 | -178.3 | -72.2 | -47.2 | 0 | 0 | 0 | 115.2 | Q677 I679 | Q677-N681 WeakPolarHBondContact O-CB 3.16Å; Q677-N681 PolarHBondContact O-N 3.05Å; Q677-N681 PolarHBondContact O-ND2 2.9Å; I679-N681 VanDerWaalsContact C-N 3.29Å; I679-N681 PolarHBondContact O-N 3.16Å |
| 682 | S | 24.8 | Very low | 38.3 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -85.9 | 133 | 166.3 | 64 | 0 | 0 | 0 | 0 | 110.6 | I679 V680 K684 | I679-S682 PolarHBondContact O-N 3.12Å; I679-S682 PolarHBondContact O-OG 3.11Å; V680-S682 PolarHBondContact O-N 3.02Å; S682-K684 PolarHBondContact O-N 2.77Å |
| 683 | P | 25.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -79.4 | 114.5 | -144.8 | 29.8 | -34.2 | 0 | 0 | 0 | 112.8 | ||||
| 684 | K | 22.5 | Very low | 32.4 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 87% | 0.874 | 70% | 0.696 | S | S | * | * | trans | -103.2 | 124.9 | 150.9 | -77.8 | -176.9 | 178.5 | 176.3 | 0 | 108.9 | S682 | S682-K684 PolarHBondContact O-N 2.77Š| ||
| 685 | S | 23 | Very low | 29.9 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -13.3 | 124.7 | 168.2 | 52 | 0 | 0 | 0 | 0 | 116.5 | S687 | S685-S687 PolarHBondContact O-N 3.13Š| ||
| 686 | E | 22.3 | Very low | 28.1 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -29.9 | 115 | 164.3 | -62.7 | 172 | 153.4 | 0 | 0 | 113.8 | ||||
| 687 | S | 22.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -145.1 | 97.8 | 144.3 | 41.5 | 0 | 0 | 0 | 0 | 107.8 | S685 D689 | S685-S687 PolarHBondContact O-N 3.13Å; S687-D689 PolarHBondContact O-N 3.33Å | ||
| 688 | N | 21.4 | Very low | 25.1 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -63 | 119.2 | 169.5 | -79 | -48.4 | 0 | 0 | 0 | 108.7 | ||||
| 689 | D | 22.3 | Very low | 23.8 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -145 | 112.7 | 152.2 | -101.1 | -34.6 | 0 | 0 | 0 | 112 | S687 | S687-D689 PolarHBondContact O-N 3.33Š| ||
| 690 | N | 25.3 | Very low | 22.7 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 75.9 | 84.2 | 145.1 | -56.7 | -47 | 0 | 0 | 0 | 120.1 | ||||
| 691 | L | 20.9 | Very low | 22 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -11.7 | 122.7 | 114.8 | -81 | 148.5 | 0 | 0 | 0 | 114.5 | |||||
| 692 | L | 21.8 | Very low | 21.5 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | 171.9 | 144 | 116.1 | -98.5 | 161.7 | 0 | 0 | 0 | 113.1 | |||||
| 693 | I | 21.8 | Very low | 21.4 | Very low | 130 Ų | 130 | 148 Ų | 148 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | trans | 85.3 | 91.6 | 152.7 | -59.1 | 150.5 | 0 | 0 | 0 | 116.6 | ||||
| 694 | N | 22.8 | Very low | 21 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | -177.2 | 100.1 | 91.5 | -103 | -38.7 | 0 | 0 | 0 | 111 | |||||
| 695 | Q | 18.5 | Very low | 21 | Very low | 197 Ų | 197 | 144 Ų | 144 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -75 | 118.6 | 156 | -75.7 | 178.4 | -14.8 | 0 | 0 | 108.1 | ||||
| 696 | R | 20.7 | Very low | 20.8 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -128.9 | 105.8 | 154.1 | -76.2 | -169.2 | -179.9 | -174.3 | 1.6 | 109.9 | ||||
| 697 | Q | 19.8 | Very low | 20.7 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 63.1 | 90 | 137.3 | -64 | 178.3 | -10 | 0 | 0 | 118.1 | ||||
| 698 | S | 17.1 | Very low | 20.6 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | 8.5 | 117.4 | 116.3 | 55.1 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 699 | S | 20.6 | Very low | 20.5 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -136.6 | 112.6 | 131.8 | 50.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 700 | N | 19.3 | Very low | 20.4 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 126.3 | 170.9 | -72 | -40 | 0 | 0 | 0 | 108.9 | ||||
| 701 | V | 21.4 | Very low | 20.2 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -121.5 | 99.7 | 147.7 | 180 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 702 | L | 18 | Very low | 20 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -74.6 | 128.7 | 162.7 | -73.3 | 163 | 0 | 0 | 0 | 107.5 | ||||
| 703 | S | 21.3 | Very low | 19.9 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -149.1 | 119.5 | 153.6 | -64.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 704 | D | 18.1 | Very low | 19.8 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 156.5 | 172.7 | -80.8 | -49.7 | 0 | 0 | 0 | 113.8 | ||||
| 705 | G | 21.2 | Very low | 19.7 | Very low | 77 Ų | 77 | 156.4 Ų | 156.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 155 | 78 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 706 | S | 19.8 | Very low | 19.7 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -53.6 | 145.8 | 165.9 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 707 | Q | 19.7 | Very low | 19.6 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 84.6 | 125.3 | 134.2 | -81.1 | 178.3 | 2.3 | 0 | 0 | 121.7 | ||||
| 708 | N | 20.4 | Very low | 19.5 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 94.6 | 78.7 | 140.6 | -62.3 | -9.7 | 0 | 0 | 0 | 118.4 | E710 | N708-E710 PolarHBondContact O-N 2.91Š| ||
| 709 | D | 20.5 | Very low | 19.5 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -64.6 | 97.8 | 143.4 | -77.6 | -44.1 | 0 | 0 | 0 | 110.6 | ||||
| 710 | E | 18.7 | Very low | 19.5 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -131.4 | 92.4 | 150.4 | -88.9 | -170.2 | 165.5 | 0 | 0 | 107.5 | N708 | N708-E710 PolarHBondContact O-N 2.91Š| ||
| 711 | R | 20.8 | Very low | 19.4 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -144.4 | 99.3 | 160 | -130.1 | 171.6 | -178.5 | -172.1 | -0.3 | 112.3 | ||||
| 712 | M | 18.6 | Very low | 19.5 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | 74.7 | 83.7 | 133.9 | -61.8 | -72.6 | -80.2 | 0 | 0 | 117.4 | K714 | M712-K714 PolarHBondContact O-N 3.31Š| ||
| 713 | N | 18 | Very low | 19.5 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | -54.6 | 113.3 | 126.4 | -97.6 | -27.2 | 0 | 0 | 0 | 110 | |||||
| 714 | K | 20.1 | Very low | 19.5 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | trans | 161.3 | 95.5 | 139.6 | -92.4 | 174.5 | -179.4 | -178.1 | 0 | 109 | M712 | M712-K714 PolarHBondContact O-N 3.31Š| ||
| 715 | L | 20.5 | Very low | 19.6 | Very low | 180 Ų | 180 | 157 Ų | 157 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -120.9 | 112.9 | 141.2 | -91.3 | 158.2 | 0 | 0 | 0 | 106.8 | ||||
| 716 | S | 19.4 | Very low | 19.4 | Very low | 98 Ų | 98 | 161 Ų | 161 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | -72.6 | 149.7 | -175.5 | 33.9 | 0 | 0 | 0 | 0 | 111.8 | E718 | S716-E718 PolarHBondContact O-N 3.18Š| ||
| 717 | K | 17.2 | Very low | 19.6 | Very low | 212 Ų | 212 | 164.2 Ų | 164.2 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | trans | -36.4 | 121.1 | 155.1 | -65.8 | 172.7 | 173.6 | -179.2 | 0 | 111.6 | ||||
| 718 | E | 19.2 | Very low | 19.6 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -118.4 | 117.4 | 153.2 | -84.9 | -178.1 | 165.4 | 0 | 0 | 108.2 | S716 | S716-E718 PolarHBondContact O-N 3.18Š| ||
| 719 | S | 17.3 | Very low | 19.8 | Very low | 108 Ų | 108 | 160.8 Ų | 160.8 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -68.3 | 140.6 | 156.6 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 720 | T | 19.5 | Very low | 19.8 | Very low | 142 Ų | 142 | 159 Ų | 159 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -162.3 | 138.7 | 135.9 | 17 | 0 | 0 | 0 | 0 | 110 | ||||
| 721 | N | 18.2 | Very low | 20 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -65.7 | 137.1 | 175.6 | -56.9 | -46.8 | 0 | 0 | 0 | 110 | ||||
| 722 | D | 22.2 | Very low | 20.1 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -128.6 | 107.7 | 144.1 | -84.7 | -36.9 | 0 | 0 | 0 | 107.7 | ||||
| 723 | E | 18.3 | Very low | 20.2 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -64.6 | 144.2 | 159.1 | -63.7 | 172.3 | 149.9 | 0 | 0 | 108.2 | ||||
| 724 | I | 21.7 | Very low | 20.5 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | 166.8 | 117.2 | 127.8 | -85.3 | 161.9 | 0 | 0 | 0 | 112.1 | |||||
| 725 | L | 20.2 | Very low | 20.6 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 71.2 | 96.3 | 140.8 | -60.8 | 174.4 | 0 | 0 | 0 | 121.8 | E727 | L725-E727 PolarHBondContact O-N 3.29Š| ||
| 726 | D | 17.8 | Very low | 20.7 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | -29.9 | 107.1 | 128.6 | -160.5 | 13.9 | 0 | 0 | 0 | 113.6 | |||||
| 727 | E | 22.4 | Very low | 20.8 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -125.4 | 104.9 | 156.2 | -88.4 | -166.2 | 168.3 | 0 | 0 | 109.9 | L725 | L725-E727 PolarHBondContact O-N 3.29Š| ||
| 728 | S | 21 | Very low | 21.2 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -4.1 | 117 | 152 | 56.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 729 | V | 25.1 | Very low | 21.4 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -129.8 | 83 | 139.1 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | N731 | V729-N731 PolarHBondContact O-N 2.96Š| ||
| 730 | D | 19.5 | Very low | 21.7 | Very low | 135 Ų | 135 | 155.6 Ų | 155.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -61.9 | 113.6 | 152.7 | -96 | -39.5 | 0 | 0 | 0 | 107.8 | ||||
| 731 | N | 22.7 | Very low | 21.9 | Very low | 140 Ų | 140 | 158.1 Ų | 158.1 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | 167.7 | 110.1 | 135.2 | -86.3 | -33.2 | 0 | 0 | 0 | 109.5 | V729 | V729-N731 PolarHBondContact O-N 2.96Š| ||
| 732 | F | 23 | Very low | 22.1 | Very low | 201 Ų | 201 | 160.2 Ų | 160.2 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | 159.5 | 58.4 | 141.9 | -88.6 | -71.7 | 0 | 0 | 0 | 109.2 | I734 | F732-I734 PolarHBondContact O-N 3.32Š| ||
| 733 | K | 21.3 | Very low | 22.2 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 98.6 | 160.4 | -84.8 | 173.9 | 176.7 | 161.5 | 0 | 108.2 | ||||
| 734 | I | 23.5 | Very low | 22.2 | Very low | 153 Ų | 153 | 157.7 Ų | 157.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -79.4 | 127.2 | 153.5 | -67.2 | 176.7 | 0 | 0 | 0 | 107.6 | F732 L736 | F732-I734 PolarHBondContact O-N 3.32Å; I734-L736 PolarHBondContact O-N 3.39Å | ||
| 735 | T | 22.2 | Very low | 22.2 | Very low | 124 Ų | 124 | 161.5 Ų | 161.5 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | trans | -59.3 | 104.1 | -170.1 | -3.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 736 | L | 24.2 | Very low | 22.2 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -117.3 | 52.6 | 155.3 | -89.5 | 167.7 | 0 | 0 | 0 | 109.1 | I734 | I734-L736 PolarHBondContact O-N 3.39Š| ||
| 737 | N | 21.2 | Very low | 22.3 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -120.6 | 50 | -175.1 | -104 | -1.6 | 0 | 0 | 0 | 112.2 | ||||
| 738 | E | 24.6 | Very low | 22.1 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -134.1 | 16.8 | 169.3 | -80.8 | -153.6 | 158.2 | 0 | 0 | 116 | ||
| 739 | L | 24.8 | Very low | 22.1 | Very low | 170 Ų | 170 | 160.4 Ų | 160.4 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -121.4 | -8.5 | 171.8 | -78.4 | 166 | 0 | 0 | 0 | 116.7 | ||
| 740 | D | 23.6 | Very low | 21.8 | Very low | 165 Ų | 165 | 156.6 Ų | 156.6 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -112.7 | 43.7 | 179.7 | -74.8 | -29.7 | 0 | 0 | 0 | 114.2 | ||||
| 741 | K | 22.2 | Very low | 21.8 | Very low | 196 Ų | 196 | 157.5 Ų | 157.5 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -119.3 | 57.7 | 166.9 | -76.4 | -168.5 | -180 | 176.5 | 0 | 112.2 | ||||
| 742 | E | 22.6 | Very low | 21.6 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -160 | 61.1 | 157.7 | -116.9 | 176.4 | -150 | 0 | 0 | 112.2 | ||
| 743 | S | 24.8 | Very low | 21.5 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -175.2 | 62.7 | 149.9 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | R745 | S743-R745 PolarHBondContact O-N 3.44Š| ||
| 744 | N | 18.6 | Very low | 21.3 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -81.5 | 104.6 | 156.7 | -102.2 | -25.1 | 0 | 0 | 0 | 109 | ||||
| 745 | R | 20.2 | Very low | 21.2 | Very low | 230 Ų | 230 | 153.7 Ų | 153.7 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -159.1 | 109.8 | 147.4 | -118.7 | -175.8 | -163.3 | -157.5 | 4.1 | 111.9 | S743 | S743-R745 PolarHBondContact O-N 3.44Š| ||
| 746 | S | 21.5 | Very low | 21.2 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | 64.2 | 140.8 | 137.3 | 49.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 747 | T | 20.4 | Very low | 20.9 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | cis | -169.5 | 142.1 | -9.8 | -78.7 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 748 | I | 18 | Very low | 21 | Very low | 157 Ų | 157 | 155 Ų | 155 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -51.9 | 129.6 | 170.8 | -64 | 155 | 0 | 0 | 0 | 111.6 | ||||
| 749 | I | 20 | Very low | 20.7 | Very low | 158 Ų | 158 | 156 Ų | 156 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -152.5 | 120.2 | 131.3 | -61.6 | -166.4 | 0 | 0 | 0 | 107.1 | ||||
| 750 | G | 18.3 | Very low | 20.4 | Very low | 61 Ų | 61 | 153.5 Ų | 153.5 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | -83.6 | 153.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 751 | D | 20.4 | Very low | 20.3 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -145.1 | 120.2 | 152.4 | -98 | -31.7 | 0 | 0 | 0 | 109.4 | ||||
| 752 | T | 18.4 | Very low | 20.1 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -51.6 | 128.5 | 162.9 | 16.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 753 | I | 21.6 | Very low | 20.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -127.8 | 113.7 | 153.1 | -63.5 | 179.8 | 0 | 0 | 0 | 107.9 | ||||
| 754 | K | 17.3 | Very low | 19.7 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -88.4 | 163.1 | 165.2 | -92.2 | -177.4 | 172.9 | 178.5 | 0 | 109.6 | ||||
| 755 | D | 19.6 | Very low | 19.8 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 80 | 109.3 | 159.4 | -55.5 | -27.8 | 0 | 0 | 0 | 116.9 | ||||
| 756 | D | 22.2 | Very low | 19.7 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | -161.5 | 129.1 | 109.6 | -96.5 | -27 | 0 | 0 | 0 | 112.1 | |||||
| 757 | V | 19 | Very low | 19.6 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -116.1 | 119.1 | 173.7 | 167.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 758 | D | 22 | Very low | 19.5 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 104.5 | 158.6 | -100.8 | -26 | 0 | 0 | 0 | 107.1 | ||||
| 759 | R | 19.4 | Very low | 19.5 | Very low | 212 Ų | 212 | 159.3 Ų | 159.3 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | 65.5 | 119.8 | 84.1 | -83.4 | -169.7 | 175.6 | 179 | 1.5 | 116.5 | |||||
| 760 | T | 19.1 | Very low | 19.5 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | 77.3 | 113.5 | 145.3 | 56.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 761 | N | 20.9 | Very low | 19.6 | Very low | 160 Ų | 160 | 165.1 Ų | 165.1 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | -163.2 | 125.3 | 104.6 | -94 | -29.8 | 0 | 0 | 0 | 113.2 | |||||
| 762 | E | 18 | Very low | 19.5 | Very low | 162 Ų | 162 | 168 Ų | 168 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -70.9 | 137.1 | 166.9 | -63.6 | -178.4 | 152.1 | 0 | 0 | 110.6 | ||||
| 763 | V | 21.2 | Very low | 19.7 | Very low | 129 Ų | 129 | 166.4 Ų | 166.4 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | trans | -126.7 | 107.4 | 158.3 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 764 | K | 17.8 | Very low | 19.9 | Very low | 177 Ų | 177 | 164.5 Ų | 164.5 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -84.3 | 126.1 | 165.1 | -72.3 | 170.2 | 178.1 | 158.6 | 0 | 108.6 | ||||
| 765 | T | 20.1 | Very low | 19.9 | Very low | 134 Ų | 134 | 166.3 Ų | 166.3 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -133.2 | 136 | 158 | 37.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 766 | R | 18.4 | Very low | 20 | Very low | 244 Ų | 244 | 165.7 Ų | 165.7 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -66.1 | 142.3 | -166.3 | -102.1 | 163.2 | 163.1 | 161.7 | -5 | 114.1 | ||||
| 767 | K | 18.7 | Very low | 19.8 | Very low | 211 Ų | 211 | 160.9 Ų | 160.9 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -65.4 | 131.7 | 157.6 | -64.9 | 176.9 | 175.8 | 179.7 | 0 | 111 | ||||
| 768 | T | 19.2 | Very low | 19.8 | Very low | 127 Ų | 127 | 161.6 Ų | 161.6 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | trans | -106.1 | 129.9 | 165.4 | 35.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 769 | R | 16.9 | Very low | 19.6 | Very low | 242 Ų | 242 | 163.3 Ų | 163.3 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -84.5 | 136.4 | 170.2 | -68.9 | 174 | -176.3 | 169.5 | 0 | 108.4 | ||||
| 770 | Y | 21.7 | Very low | 19.6 | Very low | 228 Ų | 228 | 161 Ų | 161 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | trans | -120.1 | 132.4 | 152.4 | -87.8 | -82.4 | 0 | 0 | 0 | 109.5 | ||||
| 771 | S | 20.6 | Very low | 19.5 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -94.5 | 148.1 | -166.7 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 772 | K | 18.3 | Very low | 19.3 | Very low | 213 Ų | 213 | 157.5 Ų | 157.5 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | -56.3 | 145 | 166.2 | -66.7 | 171.5 | 172 | 176.3 | 0 | 113.3 | ||||
| 773 | A | 21 | Very low | 19.4 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -157.5 | 160.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 774 | P | 26.4 | Very low | 19.4 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | -124.5 | -178.2 | -121.5 | 41.6 | -28.5 | 0 | 0 | 0 | 117.2 | |||||
| 775 | K | 18.3 | Very low | 20 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -55 | 136.1 | 180 | -58.5 | 170.4 | 175.8 | -179.9 | 0 | 116.5 | ||||
| 776 | S | 19.8 | Very low | 20.1 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -160.7 | 142.4 | 142.1 | 56.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 777 | G | 18.4 | Very low | 20 | Very low | 68 Ų | 68 | 151.1 Ų | 151.1 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | 111.6 | 96.8 | 23 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 778 | T | 19.5 | Very low | 20.2 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | 147.5 | 134.7 | 138.2 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 779 | K | 17.4 | Very low | 20.3 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -75.2 | 157.9 | 179.1 | -62.5 | 168 | 171 | -180 | 0 | 113.1 | ||||
| 780 | I | 19.4 | Very low | 20.5 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -178.8 | 108 | 143.2 | -84.7 | 143.3 | 0 | 0 | 0 | 105.5 | ||||
| 781 | S | 17.8 | Very low | 20.5 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | 77.1 | 114.8 | 95.4 | -146.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 782 | T | 17.2 | Very low | 20.5 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | trans | 48.2 | 118.7 | 134.7 | 58.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 783 | D | 20.3 | Very low | 20.6 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | 168.8 | 120.2 | 110.1 | -82.3 | -27.2 | 0 | 0 | 0 | 114.2 | |||||
| 784 | I | 20.6 | Very low | 20.6 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | 12.9 | 159.3 | 126.6 | -37.7 | 176.1 | 0 | 0 | 0 | 118.4 | |||||
| 785 | P | 30.5 | Very low | 20.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | cis | -128.6 | 179.3 | -46.7 | 39.6 | -24.2 | 0 | 0 | 0 | 112.2 | ||||
| 786 | C | 21 | Very low | 20.7 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | -169.7 | 126.5 | 129.3 | -113 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 787 | E | 18 | Very low | 20.9 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -65.8 | 148.6 | 170 | -63.4 | 165.7 | 137 | 0 | 0 | 111.6 | ||||
| 788 | S | 22.5 | Very low | 21.1 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 175.5 | 122 | 128.2 | 40.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 789 | T | 21.5 | Very low | 21.7 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 64.2 | 108 | 145.2 | 13.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 790 | L | 21 | Very low | 23.3 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 129 | 159 | -69.4 | 148 | 0 | 0 | 0 | 112.8 | ||||
| 791 | V | 21.3 | Very low | 25.3 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -126.7 | 115.5 | 149.4 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | S793 | V791-S793 PolarHBondContact O-N 2.95Š| ||
| 792 | A | 20.3 | Very low | 28 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -70.2 | 109.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 793 | S | 21.4 | Very low | 31.3 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -96.7 | 124.5 | 165.9 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | V791 V795 | V791-S793 PolarHBondContact O-N 2.95Å; S793-V795 PolarHBondContact O-N 3.2Å; S793-V795 VanDerWaalsContact O-N 3.08Å | ||
| 794 | T | 21.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 115 Ų | 115 | 91% | 0.914 | 67% | 0.67 | S | S | * | * | trans | -60.6 | 103.7 | 174 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 795 | V | 24.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 108.9 Ų | 108.9 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | trans | -81.7 | 114.9 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | S793 E797 | S793-V795 PolarHBondContact O-N 3.2Å; S793-V795 VanDerWaalsContact O-N 3.08Å; V795-E797 PolarHBondContact O-N 3.42Å; V795-E797 VanDerWaalsContact O-N 3.12Å | ||
| 796 | C | 21.4 | Very low | 41.1 | Very low | 127 Ų | 127 | 103.8 Ų | 103.8 | 86% | 0.858 | 61% | 0.605 | S | S | * | * | trans | -65.2 | 104.4 | 167.9 | -150.1 | 0 | 0 | 0 | 0 | 107.4 | K798 | C796-K798 PolarHBondContact O-N 2.75Š| ||
| 797 | E | 23.7 | Very low | 44.5 | Very low | 165 Ų | 165 | 100 Ų | 100 | 77% | 0.771 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.8 | 178.6 | -74.6 | -176.2 | 158.4 | 0 | 0 | 109.7 | V795 | V795-E797 PolarHBondContact O-N 3.42Å; V795-E797 VanDerWaalsContact O-N 3.12Å |
| 798 | K | 23.3 | Very low | 48.3 | Very low | 195 Ų | 195 | 91.2 Ų | 91.2 | 85% | 0.848 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 140.2 | 171.2 | -76.6 | -178.7 | 176.2 | -178 | 0 | 109 | C796 S800 | C796-K798 PolarHBondContact O-N 2.75Å; K798-S800 PolarHBondContact O-N 3Å |
| 799 | P | 32.1 | Very low | 51.7 | Low | 124 Ų | 124 | 86 Ų | 86 | 81% | 0.805 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -60 | 132.8 | 179.6 | 22.8 | -31.2 | 0 | 0 | 0 | 111 | ||
| 800 | S | 50 | Low | 55.2 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 145.8 | -178.8 | 42.1 | 0 | 0 | 0 | 0 | 111.8 | K798 M802 | K798-S800 PolarHBondContact O-N 3Å; S800-M802 PolarHBondContact O-N 3.12Å |
| 801 | R | 60.7 | Low | 58.7 | Low | 87 Ų | 87 | 75.1 Ų | 75.1 | 33% | 0.328 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.4 | -179.1 | -169.3 | 177.4 | 177.3 | 162.7 | 0.6 | 109.7 | D672 D675 H901 | D672-R801 IonicContact OD1-CZ 2.68Å; D672-R801 VanDerWaalsContact OD1-CZ 3.28Å; D672-R801 IonicContact OD1-NE 3.64Å; D672-R801 PolarHBondContact OD1-NE 3.5Å; D672-R801 IonicContact OD1-NH2 2.76Å; D672-R801 PolarHBondContact OD1-NH2 3.46Å; D675-R801 VanDerWaalsContact CB-NH1 3.27Å; D675-R801 IonicContact OD2-CZ 3.28Å; D675-R801 IonicContact OD2-NH1 3.6Å; D675-R801 IonicContact OD2-NH2 3.04Å; D675-R801 PolarHBondContact OD2-NH2 2.96Å; R801-H901 PolarHBondContact O-NE2 3.3Å; R801-H901 VanDerWaalsContact O-NE2 3.14Å |
| 802 | M | 76.1 | Confident | 62.3 | Low | 33 Ų | 33 | 68.7 Ų | 68.7 | 16% | 0.163 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 149.8 | 175.7 | -67 | 165.9 | 69 | 0 | 0 | 111.4 | S800 I806 R807 E904 | S800-M802 PolarHBondContact O-N 3.12Å; M802-I806 HydrophobicContact CE-CB 4.33Å; M802-I806 HydrophobicContact CE-CG2 3.27Å; M802-R807 HydrophobicContact CB-CG 4Å; M802-R807 PolarHBondContact O-NE 3.17Å; M802-R807 VanDerWaalsContact O-NE 3.08Å; M802-E904 HydrophobicContact CE-CB 4.18Å; M802-E904 HydrophobicContact CE-CG 3.91Å |
| 803 | S | 85.6 | Confident | 65.8 | Low | 25 Ų | 25 | 64 Ų | 64 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -51 | 146.2 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | F805 I806 R807 E828 | S803-F805 VanDerWaalsContact C-N 3.3Å; S803-F805 PolarHBondContact O-N 3.34Å; S803-F805 PolarHBondContact OG-N 3.23Å; S803-I806 PolarHBondContact O-N 2.99Å; S803-R807 PolarHBondContact O-N 2.96Å; S803-E828 VanDerWaalsContact CB-OE2 3.25Å; S803-E828 WeakPolarHBondContact CB-OE2 3.48Å; S803-E828 PolarHBondContact OG-OE2 2.87Å |
| 804 | L | 90.6 | Very high | 69.1 | Low | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 179.1 | 179.9 | 60.3 | 0 | 0 | 0 | 112.7 | P642 I643 V646 A668 D672 R807 T808 | P642-L804 HydrophobicContact CB-CD1 3.65Å; P642-L804 HydrophobicContact CB-CD2 4.14Å; P642-L804 HydrophobicContact CG-CD1 3.79Å; I643-L804 HydrophobicContact CG1-CD1 4.36Å; V646-L804 HydrophobicContact CG2-CD1 4.32Å; V646-L804 HydrophobicContact CG2-CD2 3.6Å; V646-L804 HydrophobicContact CG2-CG 3.71Å; A668-L804 HydrophobicContact CB-CD2 3.8Å; D672-L804 HydrophobicContact CB-CD2 4.33Å; L804-R807 PolarHBondContact O-N 3.12Å; L804-T808 WeakPolarHBondContact O-CB 3.34Å; L804-T808 PolarHBondContact O-N 2.86Å; L804-T808 PolarHBondContact O-OG1 2.87Å |
| 805 | F | 93.7 | Very high | 72.6 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 178.4 | -64.7 | -70 | 0 | 0 | 0 | 111.9 | V646 L665 S803 T808 A809 H827 E828 A831 | V646-F805 HydrophobicContact CG1-CD1 3.76Å; V646-F805 HydrophobicContact CG1-CE1 3.87Å; V646-F805 HydrophobicContact CG2-CE1 4.41Å; L665-F805 HydrophobicContact CD2-CE1 3.98Å; L665-F805 HydrophobicContact CD2-CZ 4.31Å; S803-F805 VanDerWaalsContact C-N 3.3Å; S803-F805 PolarHBondContact O-N 3.34Å; S803-F805 PolarHBondContact OG-N 3.23Å; F805-T808 PolarHBondContact O-N 2.66Å; F805-A809 VanDerWaalsContact O-CB 3.31Å; F805-A809 WeakPolarHBondContact O-CB 3.29Å; F805-A809 PolarHBondContact O-N 2.92Å; F805-H827 HydrophobicContact CD1-CB 3.57Å; F805-H827 HydrophobicContact CD2-CB 4.31Å; F805-H827 HydrophobicContact CE1-CB 3.53Å; F805-H827 AromaticContact CE1-CG 3.92Å; F805-H827 HydrophobicContact CE2-CB 4.28Å; F805-H827 HydrophobicContact CG-CB 3.98Å; F805-H827 HydrophobicContact CZ-CB 3.9Å; F805-E828 HydrophobicContact CB-CB 3.93Å; F805-A831 HydrophobicContact CD2-CB 4.46Å; F805-A831 HydrophobicContact CE2-CB 4.41Å |
| 806 | I | 92.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.1 | -59.2 | 179.1 | 0 | 0 | 0 | 110.5 | M802 S803 T808 A809 E810 E828 H901 E904 L908 | M802-I806 HydrophobicContact CE-CB 4.33Å; M802-I806 HydrophobicContact CE-CG2 3.27Å; S803-I806 PolarHBondContact O-N 2.99Å; I806-T808 VanDerWaalsContact C-N 3.29Å; I806-T808 PolarHBondContact O-N 3.04Å; I806-A809 PolarHBondContact O-N 3.01Å; I806-E810 WeakPolarHBondContact O-CB 3.46Å; I806-E810 PolarHBondContact O-N 2.75Å; I806-E828 HydrophobicContact CD1-CG 4.2Å; I806-E828 HydrophobicContact CG1-CG 3.74Å; I806-H901 HydrophobicContact CD1-CB 4.03Å; I806-H901 WeakPolarHBondContact CD1-O 3.41Å; I806-E904 HydrophobicContact CD1-CB 4.27Å; I806-E904 HydrophobicContact CG2-CB 3.91Å; I806-L908 HydrophobicContact CB-CD1 4.48Å; I806-L908 HydrophobicContact CG2-CD1 3.59Å |
| 807 | R | 93.3 | Very high | 79.2 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.2 | -74.8 | -175.7 | -77.3 | 155 | -0.2 | 112.5 | I643 D672 M802 S803 L804 F811 | I643-R807 HydrophobicContact CD1-CB 4.41Å; D672-R807 IonicContact OD1-CZ 3.16Å; D672-R807 IonicContact OD1-NH1 3.9Å; D672-R807 IonicContact OD1-NH2 2.95Å; D672-R807 PolarHBondContact OD1-NH2 3.45Å; D672-R807 IonicContact OD2-NH2 2.68Å; D672-R807 PolarHBondContact OD2-NH2 2.92Å; M802-R807 HydrophobicContact CB-CG 4Å; M802-R807 PolarHBondContact O-NE 3.17Å; M802-R807 VanDerWaalsContact O-NE 3.08Å; S803-R807 PolarHBondContact O-N 2.96Å; L804-R807 PolarHBondContact O-N 3.12Å; R807-F811 WeakPolarHBondContact O-CB 3.34Å; R807-F811 PolarHBondContact O-N 3.08Å |
| 808 | T | 96.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -43.5 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | I643 V646 I647 L650 L804 F805 I806 E810 F811 L812 | I643-T808 HydrophobicContact CG2-CG2 4.07Å; V646-T808 HydrophobicContact CB-CG2 4.07Å; V646-T808 HydrophobicContact CG1-CG2 3.73Å; I647-T808 HydrophobicContact CD1-CG2 4.34Å; I647-T808 HydrophobicContact CG1-CG2 3.66Å; L650-T808 HydrophobicContact CD1-CG2 4.42Å; L804-T808 WeakPolarHBondContact O-CB 3.34Å; L804-T808 PolarHBondContact O-N 2.86Å; L804-T808 PolarHBondContact O-OG1 2.87Å; F805-T808 PolarHBondContact O-N 2.66Å; I806-T808 VanDerWaalsContact C-N 3.29Å; I806-T808 PolarHBondContact O-N 3.04Å; T808-E810 VanDerWaalsContact C-N 3.34Å; T808-E810 PolarHBondContact O-N 3.32Å; T808-F811 PolarHBondContact O-N 2.84Å; T808-L812 HydrophobicContact CG2-CD1 3.98Å; T808-L812 HydrophobicContact CG2-CG 4.47Å; T808-L812 WeakPolarHBondContact O-CB 3.45Å; T808-L812 VanDerWaalsContact O-CG 3.28Å; T808-L812 WeakPolarHBondContact O-CG 3.34Å; T808-L812 PolarHBondContact O-N 2.82Å |
| 809 | A | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F805 I806 L812 L813 V821 A824 L825 L908 | F805-A809 VanDerWaalsContact O-CB 3.31Å; F805-A809 WeakPolarHBondContact O-CB 3.29Å; F805-A809 PolarHBondContact O-N 2.92Å; I806-A809 PolarHBondContact O-N 3.01Å; A809-L812 PolarHBondContact O-N 3.49Å; A809-L813 WeakPolarHBondContact O-CB 3.47Å; A809-L813 PolarHBondContact O-N 2.79Å; A809-V821 HydrophobicContact CB-CG1 4.3Å; A809-A824 HydrophobicContact CB-CB 3.84Å; A809-L825 HydrophobicContact CB-CD2 3.85Å; A809-L825 HydrophobicContact CB-CG 4.04Å; A809-L908 HydrophobicContact CB-CD1 3.87Å |
| 810 | E | 94.3 | Very high | 88.6 | Confident | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 174.4 | -176 | 172.5 | -149.3 | 0 | 0 | 111.8 | I806 T808 L812 L813 D814 L908 K974 | I806-E810 WeakPolarHBondContact O-CB 3.46Å; I806-E810 PolarHBondContact O-N 2.75Å; T808-E810 VanDerWaalsContact C-N 3.34Å; T808-E810 PolarHBondContact O-N 3.32Å; E810-L812 VanDerWaalsContact C-N 3.29Å; E810-L812 PolarHBondContact O-N 2.8Å; E810-L813 PolarHBondContact O-N 3.28Å; E810-L813 VanDerWaalsContact O-N 3.16Å; E810-D814 PolarHBondContact O-N 3.31Å; E810-L908 HydrophobicContact CB-CD1 4.46Å; E810-L908 HydrophobicContact CB-CD2 4.13Å; E810-L908 HydrophobicContact CG-CD2 4.49Å; E810-K974 IonicContact OE1-NZ 3.96Å; E810-K974 PolarHBondContact OE1-NZ 3.44Å |
| 811 | F | 95.3 | Very high | 90.7 | Very high | 52 Ų | 52 | 27.6 Ų | 27.6 | 23% | 0.228 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.3 | -43.3 | 177.2 | 172.8 | -92.2 | 0 | 0 | 0 | 112.5 | T609 V612 I643 I647 R807 T808 R815 | T609-F811 HydrophobicContact CG2-CZ 4.23Å; V612-F811 HydrophobicContact CG1-CE1 4.45Å; I643-F811 HydrophobicContact CG2-CB 4.38Å; I643-F811 HydrophobicContact CG2-CD1 4.19Å; I643-F811 HydrophobicContact CG2-CG 4.23Å; I647-F811 HydrophobicContact CD1-CD1 3.75Å; I647-F811 HydrophobicContact CD1-CE1 3.67Å; R807-F811 WeakPolarHBondContact O-CB 3.34Å; R807-F811 PolarHBondContact O-N 3.08Å; T808-F811 PolarHBondContact O-N 2.84Å; F811-R815 WeakPolarHBondContact O-CG 3.48Å |
| 812 | L | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -38.8 | 178.7 | -70.1 | 169.5 | 0 | 0 | 0 | 112 | L616 I647 L650 T808 A809 E810 R815 N816 M817 F820 V821 | L616-L812 HydrophobicContact CD1-CD2 3.66Å; I647-L812 HydrophobicContact CD1-CD2 4.04Å; I647-L812 HydrophobicContact CD1-CG 4.45Å; I647-L812 HydrophobicContact CG1-CD1 4.45Å; I647-L812 HydrophobicContact CG1-CD2 4.28Å; L650-L812 HydrophobicContact CD1-CD1 4.18Å; T808-L812 HydrophobicContact CG2-CD1 3.98Å; T808-L812 HydrophobicContact CG2-CG 4.47Å; T808-L812 WeakPolarHBondContact O-CB 3.45Å; T808-L812 VanDerWaalsContact O-CG 3.28Å; T808-L812 WeakPolarHBondContact O-CG 3.34Å; T808-L812 PolarHBondContact O-N 2.82Å; A809-L812 PolarHBondContact O-N 3.49Å; E810-L812 VanDerWaalsContact C-N 3.29Å; E810-L812 PolarHBondContact O-N 2.8Å; L812-R815 CarbonylContact O-C 3.57Å; L812-R815 PolarHBondContact O-N 2.72Å; L812-R815 VanDerWaalsContact O-N 3.12Å; L812-N816 PolarHBondContact O-N 2.99Å; L812-M817 HydrophobicContact CB-CB 3.99Å; L812-M817 HydrophobicContact CD2-CB 3.93Å; L812-M817 HydrophobicContact CD2-CG 4.25Å; L812-M817 WeakPolarHBondContact O-CB 3.5Å; L812-M817 PolarHBondContact O-N 2.9Å; L812-F820 HydrophobicContact CD1-CB 3.74Å; L812-F820 HydrophobicContact CD2-CB 4.33Å; L812-V821 HydrophobicContact CB-CG2 3.53Å |
| 813 | L | 93.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | -177.6 | -174.7 | 63.4 | 0 | 0 | 0 | 112 | A809 E810 R815 N816 Y818 V821 L908 R911 L912 | A809-L813 WeakPolarHBondContact O-CB 3.47Å; A809-L813 PolarHBondContact O-N 2.79Å; E810-L813 PolarHBondContact O-N 3.28Å; E810-L813 VanDerWaalsContact O-N 3.16Å; L813-R815 PolarHBondContact O-N 3.03Å; L813-R815 VanDerWaalsContact O-N 3.11Å; L813-N816 PolarHBondContact O-N 3.26Å; L813-Y818 HydrophobicContact CD1-CD1 4.03Å; L813-Y818 HydrophobicContact CD1-CE1 4.11Å; L813-V821 HydrophobicContact CB-CG1 4.34Å; L813-V821 HydrophobicContact CB-CG2 3.78Å; L813-V821 HydrophobicContact CD1-CG1 4.4Å; L813-V821 HydrophobicContact CD1-CG2 4.27Å; L813-V821 VanDerWaalsContact N-CG2 3.33Å; L813-L908 HydrophobicContact CD2-CD2 3.72Å; L813-R911 HydrophobicContact CD2-CB 3.64Å; L813-L912 HydrophobicContact CD1-CB 4.4Å; L813-L912 HydrophobicContact CD1-CD1 4.29Å |
| 814 | D | 91.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 25.3 Ų | 25.3 | 45% | 0.449 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.8 | 174.7 | -74.1 | -3.4 | 0 | 0 | 0 | 113 | E810 R911 | E810-D814 PolarHBondContact O-N 3.31Å; D814-R911 IonicContact OD1-CZ 3.73Å; D814-R911 IonicContact OD1-NH2 3.82Å; D814-R911 PolarHBondContact OD1-NH2 3.01Å |
| 815 | R | 94.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 25.1 Ų | 25.1 | 21% | 0.211 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 14.3 | 177.5 | -58.2 | -65 | 179 | -178.7 | 2.8 | 113.2 | D579 V582 L613 F811 L812 L813 M817 | D579-R815 IonicContact OD1-CZ 3.57Å; D579-R815 IonicContact OD1-NH1 2.65Å; D579-R815 PolarHBondContact OD1-NH1 3.23Å; D579-R815 IonicContact OD1-NH2 2.68Å; V582-R815 HydrophobicContact CG2-CB 4.24Å; V582-R815 VanDerWaalsContact CG2-CD 3.47Å; V582-R815 HydrophobicContact CG2-CG 4.44Å; L613-R815 HydrophobicContact CD2-CB 3.94Å; L613-R815 HydrophobicContact CD2-CG 4.34Å; F811-R815 WeakPolarHBondContact O-CG 3.48Å; L812-R815 CarbonylContact O-C 3.57Å; L812-R815 PolarHBondContact O-N 2.72Å; L812-R815 VanDerWaalsContact O-N 3.12Å; L813-R815 PolarHBondContact O-N 3.03Å; L813-R815 VanDerWaalsContact O-N 3.11Å; R815-M817 VanDerWaalsContact C-N 3.27Å; R815-M817 PolarHBondContact O-N 3.36Å |
| 816 | N | 91.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 18% | 0.176 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 27.6 | 177.7 | -59 | -40.7 | 0 | 0 | 0 | 114.8 | V582 L585 L812 L813 Y818 | V582-N816 PolarHBondContact O-ND2 3.32Å; V582-N816 VanDerWaalsContact O-ND2 3.08Å; L585-N816 HydrophobicContact CB-CB 4.34Å; L812-N816 PolarHBondContact O-N 2.99Å; L813-N816 PolarHBondContact O-N 3.26Å; N816-Y818 VanDerWaalsContact C-N 3.33Å; N816-Y818 HydrophobicContact CB-CE1 4.32Å; N816-Y818 HydrophobicContact CB-CE2 4.28Å; N816-Y818 PolarHBondContact O-N 2.93Å; N816-Y818 VanDerWaalsContact O-N 3.15Å; N816-Y818 PolarHBondContact OD1-OH 2.79Å |
| 817 | M | 92.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | trans | -88 | 58.6 | -179.7 | -74.7 | -75.4 | 138.7 | 0 | 0 | 112.7 | L585 L613 L616 V617 M620 L812 R815 S819 F820 V821 | L585-M817 HydrophobicContact CB-CE 4.43Å; L585-M817 HydrophobicContact CD1-CE 3.07Å; L585-M817 HydrophobicContact CD2-CE 3.55Å; L585-M817 HydrophobicContact CG-CE 3.81Å; L613-M817 HydrophobicContact CD2-CG 4.39Å; L616-M817 HydrophobicContact CB-SD 3.93Å; L616-M817 HydrophobicContact CD1-CG 4.31Å; L616-M817 HydrophobicContact CD1-SD 4.11Å; V617-M817 HydrophobicContact CG2-CE 3.97Å; M620-M817 HydrophobicContact SD-CE 4.18Å; M620-M817 HydrophobicContact SD-SD 3.94Å; L812-M817 HydrophobicContact CB-CB 3.99Å; L812-M817 HydrophobicContact CD2-CB 3.93Å; L812-M817 HydrophobicContact CD2-CG 4.25Å; L812-M817 WeakPolarHBondContact O-CB 3.5Å; L812-M817 PolarHBondContact O-N 2.9Å; R815-M817 VanDerWaalsContact C-N 3.27Å; R815-M817 PolarHBondContact O-N 3.36Å; M817-S819 PolarHBondContact O-N 2.8Å; M817-F820 PolarHBondContact O-N 2.78Å; M817-F820 HydrophobicContact SD-CD2 4.21Å; M817-V821 VanDerWaalsContact O-CG2 3.28Å; M817-V821 WeakPolarHBondContact O-CG2 3.38Å; M817-V821 PolarHBondContact O-N 3.02Å | ||
| 818 | Y | 92.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.2 | -37.2 | -165.9 | -52.1 | -52.4 | 0 | 0 | 0 | 115.4 | L813 N816 V821 S822 L912 N915 Y917 | L813-Y818 HydrophobicContact CD1-CD1 4.03Å; L813-Y818 HydrophobicContact CD1-CE1 4.11Å; N816-Y818 VanDerWaalsContact C-N 3.33Å; N816-Y818 HydrophobicContact CB-CE1 4.32Å; N816-Y818 HydrophobicContact CB-CE2 4.28Å; N816-Y818 PolarHBondContact O-N 2.93Å; N816-Y818 VanDerWaalsContact O-N 3.15Å; N816-Y818 PolarHBondContact OD1-OH 2.79Å; Y818-V821 PolarHBondContact O-N 3.37Å; Y818-S822 PolarHBondContact O-N 2.83Å; Y818-S822 VanDerWaalsContact O-N 3.11Å; Y818-L912 HydrophobicContact CD1-CD1 3.85Å; Y818-L912 HydrophobicContact CG-CD1 4.21Å; Y818-N915 HydrophobicContact CE1-CB 3.66Å; Y818-Y917 HydrophobicContact CD2-CD2 4.48Å; Y818-Y917 HydrophobicContact CD2-CE2 4Å; Y818-Y917 HydrophobicContact CE2-CE2 4.34Å |
| 819 | S | 90.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 177.9 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | M817 V821 S822 M823 | M817-S819 PolarHBondContact O-N 2.8Å; S819-V821 PolarHBondContact O-N 3.17Å; S819-S822 PolarHBondContact O-N 3.15Å; S819-S822 PolarHBondContact O-OG 2.61Å; S819-M823 PolarHBondContact O-N 2.99Å |
| 820 | F | 94.4 | Very high | 93 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.2 | -30.7 | 179.1 | -65.5 | -78.1 | 0 | 0 | 0 | 112.7 | L616 A619 M620 L650 T654 L812 M817 S822 M823 A824 | L616-F820 HydrophobicContact CB-CD2 4.4Å; L616-F820 HydrophobicContact CB-CE2 3.98Å; L616-F820 HydrophobicContact CD1-CD2 4.33Å; L616-F820 HydrophobicContact CD2-CD1 3.98Å; L616-F820 HydrophobicContact CD2-CD2 3.96Å; L616-F820 HydrophobicContact CD2-CE1 3.7Å; L616-F820 HydrophobicContact CD2-CE2 3.68Å; L616-F820 HydrophobicContact CD2-CG 4.11Å; L616-F820 HydrophobicContact CD2-CZ 3.54Å; L616-F820 HydrophobicContact CG-CD2 4.46Å; L616-F820 HydrophobicContact CG-CE2 4.29Å; A619-F820 HydrophobicContact CB-CZ 4.2Å; M620-F820 HydrophobicContact CG-CE2 3.99Å; M620-F820 HydrophobicContact SD-CE2 4.43Å; L650-F820 HydrophobicContact CB-CD1 4.34Å; T654-F820 HydrophobicContact CG2-CE1 3.94Å; L812-F820 HydrophobicContact CD1-CB 3.74Å; L812-F820 HydrophobicContact CD2-CB 4.33Å; M817-F820 PolarHBondContact O-N 2.78Å; M817-F820 HydrophobicContact SD-CD2 4.21Å; F820-S822 VanDerWaalsContact C-N 3.34Å; F820-M823 HydrophobicContact CD1-SD 4.31Å; F820-M823 PolarHBondContact O-N 3.49Å; F820-A824 WeakPolarHBondContact O-CB 3.37Å; F820-A824 PolarHBondContact O-N 3.32Å |
| 821 | V | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | A809 L812 L813 M817 Y818 S819 M823 A824 L825 L912 | A809-V821 HydrophobicContact CB-CG1 4.3Å; L812-V821 HydrophobicContact CB-CG2 3.53Å; L813-V821 HydrophobicContact CB-CG1 4.34Å; L813-V821 HydrophobicContact CB-CG2 3.78Å; L813-V821 HydrophobicContact CD1-CG1 4.4Å; L813-V821 HydrophobicContact CD1-CG2 4.27Å; L813-V821 VanDerWaalsContact N-CG2 3.33Å; M817-V821 VanDerWaalsContact O-CG2 3.28Å; M817-V821 WeakPolarHBondContact O-CG2 3.38Å; M817-V821 PolarHBondContact O-N 3.02Å; Y818-V821 PolarHBondContact O-N 3.37Å; S819-V821 PolarHBondContact O-N 3.17Å; V821-M823 VanDerWaalsContact C-N 3.28Å; V821-M823 PolarHBondContact O-N 3.03Å; V821-A824 PolarHBondContact O-N 3.36Å; V821-L825 HydrophobicContact CG1-CD1 3.88Å; V821-L825 HydrophobicContact CG1-CG 4.3Å; V821-L825 WeakPolarHBondContact O-CG 3.47Å; V821-L825 PolarHBondContact O-N 3.46Å; V821-L912 HydrophobicContact CB-CD1 4.13Å; V821-L912 HydrophobicContact CG1-CB 4.49Å; V821-L912 HydrophobicContact CG1-CD1 4.08Å; V821-L912 HydrophobicContact CG1-CD2 4.12Å; V821-L912 HydrophobicContact CG1-CG 4.46Å |
| 822 | S | 92.8 | Very high | 91.9 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61 | -37.2 | 179.8 | 74.8 | 0 | 0 | 0 | 0 | 112.6 | Y818 S819 F820 A826 | Y818-S822 PolarHBondContact O-N 2.83Å; Y818-S822 VanDerWaalsContact O-N 3.11Å; S819-S822 PolarHBondContact O-N 3.15Å; S819-S822 PolarHBondContact O-OG 2.61Å; F820-S822 VanDerWaalsContact C-N 3.34Å; S822-A826 PolarHBondContact O-N 2.98Å |
| 823 | M | 94.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -44.8 | 175.3 | -62.2 | 178.8 | 65.3 | 0 | 0 | 111.8 | L650 E653 T654 S819 F820 V821 L825 A826 H827 | L650-M823 HydrophobicContact CB-CE 4.48Å; L650-M823 HydrophobicContact CD2-CB 3.93Å; L650-M823 WeakPolarHBondContact O-CE 3.37Å; E653-M823 HydrophobicContact CB-CE 3.83Å; E653-M823 HydrophobicContact CG-CE 3.88Å; E653-M823 WeakPolarHBondContact OE2-CE 3.48Å; T654-M823 HydrophobicContact CG2-CE 3.72Å; T654-M823 HydrophobicContact CG2-SD 3.54Å; T654-M823 VanDerWaalsContact CG2-SD 3.54Å; S819-M823 PolarHBondContact O-N 2.99Å; F820-M823 HydrophobicContact CD1-SD 4.31Å; F820-M823 PolarHBondContact O-N 3.49Å; V821-M823 VanDerWaalsContact C-N 3.28Å; V821-M823 PolarHBondContact O-N 3.03Å; M823-L825 VanDerWaalsContact C-N 3.3Å; M823-L825 PolarHBondContact O-N 3.34Å; M823-A826 WeakPolarHBondContact O-CB 3.41Å; M823-A826 PolarHBondContact O-N 2.98Å; M823-A826 VanDerWaalsContact O-N 3.12Å; M823-H827 PolarHBondContact O-CD2 3.36Å; M823-H827 PolarHBondContact O-N 2.56Å |
| 824 | A | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L650 A809 F820 V821 H827 E828 | L650-A824 HydrophobicContact CD1-CB 3.82Å; A809-A824 HydrophobicContact CB-CB 3.84Å; F820-A824 WeakPolarHBondContact O-CB 3.37Å; F820-A824 PolarHBondContact O-N 3.32Å; V821-A824 PolarHBondContact O-N 3.36Å; A824-H827 PolarHBondContact O-N 2.84Å; A824-E828 PolarHBondContact O-N 3.19Å |
| 825 | L | 94.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 175.8 | -67.5 | 174.7 | 0 | 0 | 0 | 112.4 | A809 V821 M823 E828 L829 Y905 L908 L912 | A809-L825 HydrophobicContact CB-CD2 3.85Å; A809-L825 HydrophobicContact CB-CG 4.04Å; V821-L825 HydrophobicContact CG1-CD1 3.88Å; V821-L825 HydrophobicContact CG1-CG 4.3Å; V821-L825 WeakPolarHBondContact O-CG 3.47Å; V821-L825 PolarHBondContact O-N 3.46Å; M823-L825 VanDerWaalsContact C-N 3.3Å; M823-L825 PolarHBondContact O-N 3.34Å; L825-E828 WeakPolarHBondContact O-CB 3.37Å; L825-E828 PolarHBondContact O-N 3.1Å; L825-L829 PolarHBondContact O-N 3.4Å; L825-Y905 HydrophobicContact CB-CD2 4.47Å; L825-Y905 HydrophobicContact CB-CE2 3.95Å; L825-Y905 HydrophobicContact CD2-CD2 3.84Å; L825-Y905 HydrophobicContact CD2-CE2 4.16Å; L825-Y905 WeakPolarHBondContact O-CE2 3.28Å; L825-L908 HydrophobicContact CD1-CB 4.31Å; L825-L908 HydrophobicContact CD2-CB 3.96Å; L825-L908 HydrophobicContact CD2-CD1 4.08Å; L825-L912 HydrophobicContact CD1-CD2 4.1Å |
| 826 | A | 93.1 | Very high | 88.4 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S822 M823 L829 I830 | S822-A826 PolarHBondContact O-N 2.98Å; M823-A826 WeakPolarHBondContact O-CB 3.41Å; M823-A826 PolarHBondContact O-N 2.98Å; M823-A826 VanDerWaalsContact O-N 3.12Å; A826-L829 PolarHBondContact O-N 3.41Å; A826-I830 WeakPolarHBondContact O-CG1 3.36Å; A826-I830 PolarHBondContact O-N 3.42Å; A826-I830 VanDerWaalsContact O-N 3.07Å |
| 827 | H | 92.9 | Very high | 87.5 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 13% | 0.13 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 173.4 | -83.8 | -79.6 | 0 | 0 | 0 | 112.6 | L650 E653 F805 M823 A824 L829 I830 A831 | L650-H827 VanDerWaalsContact CD2-CD2 3.42Å; L650-H827 WeakPolarHBondContact CD2-CD2 3.38Å; E653-H827 IonicContact OE1-NE2 3.99Å; E653-H827 IonicContact OE2-CD2 3.89Å; E653-H827 IonicContact OE2-CE1 3.74Å; E653-H827 IonicContact OE2-NE2 3.91Å; E653-H827 PolarHBondContact OE2-NE2 3.16Å; F805-H827 HydrophobicContact CD1-CB 3.57Å; F805-H827 HydrophobicContact CD2-CB 4.31Å; F805-H827 HydrophobicContact CE1-CB 3.53Å; F805-H827 AromaticContact CE1-CG 3.92Å; F805-H827 HydrophobicContact CE2-CB 4.28Å; F805-H827 HydrophobicContact CG-CB 3.98Å; F805-H827 HydrophobicContact CZ-CB 3.9Å; M823-H827 PolarHBondContact O-CD2 3.36Å; M823-H827 PolarHBondContact O-N 2.56Å; A824-H827 PolarHBondContact O-N 2.84Å; H827-L829 PolarHBondContact O-N 3.03Å; H827-I830 PolarHBondContact O-N 2.9Å; H827-A831 WeakPolarHBondContact O-CB 3.34Å; H827-A831 PolarHBondContact O-N 2.81Å |
| 828 | E | 91.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.2 | 179.6 | 59.3 | -158.9 | 0 | 0 | 111.5 | S803 F805 I806 A824 L825 I830 A831 Q832 Y905 | S803-E828 VanDerWaalsContact CB-OE2 3.25Å; S803-E828 WeakPolarHBondContact CB-OE2 3.48Å; S803-E828 PolarHBondContact OG-OE2 2.87Å; F805-E828 HydrophobicContact CB-CB 3.93Å; I806-E828 HydrophobicContact CD1-CG 4.2Å; I806-E828 HydrophobicContact CG1-CG 3.74Å; A824-E828 PolarHBondContact O-N 3.19Å; L825-E828 WeakPolarHBondContact O-CB 3.37Å; L825-E828 PolarHBondContact O-N 3.1Å; E828-I830 VanDerWaalsContact C-N 3.31Å; E828-I830 PolarHBondContact O-N 3.16Å; E828-A831 WeakPolarHBondContact O-CB 3.26Å; E828-A831 PolarHBondContact O-N 3.18Å; E828-A831 VanDerWaalsContact O-N 3.14Å; E828-Q832 WeakPolarHBondContact O-CG 3.37Å; E828-Q832 PolarHBondContact O-N 2.8Å; E828-Q832 PolarHBondContact OE1-NE2 3.05Å; E828-Y905 HydrophobicContact CB-CD2 4.35Å; E828-Y905 HydrophobicContact CG-CD2 3.99Å |
| 829 | L | 88.8 | Confident | 84.5 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 47% | 0.466 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 178.4 | -173.1 | 68.2 | 0 | 0 | 0 | 112.2 | L825 A826 H827 K833 Y905 | L825-L829 PolarHBondContact O-N 3.4Å; A826-L829 PolarHBondContact O-N 3.41Å; H827-L829 PolarHBondContact O-N 3.03Å; L829-K833 WeakPolarHBondContact O-CB 3.26Å; L829-K833 PolarHBondContact O-N 3.46Å; L829-Y905 HydrophobicContact CB-CE2 4.43Å |
| 830 | I | 88.7 | Confident | 82.7 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.1 | -66.9 | 165.3 | 0 | 0 | 0 | 110.7 | A826 H827 E828 K833 K834 | A826-I830 WeakPolarHBondContact O-CG1 3.36Å; A826-I830 PolarHBondContact O-N 3.42Å; A826-I830 VanDerWaalsContact O-N 3.07Å; H827-I830 PolarHBondContact O-N 2.9Å; E828-I830 VanDerWaalsContact C-N 3.31Å; E828-I830 PolarHBondContact O-N 3.16Å; I830-K833 PolarHBondContact O-N 2.97Å; I830-K834 HydrophobicContact CG2-CD 4.32Å; I830-K834 WeakPolarHBondContact O-CG 3.43Å; I830-K834 PolarHBondContact O-N 2.84Å |
| 831 | A | 85.1 | Confident | 80.5 | Confident | 37 Ų | 37 | 69 Ų | 69 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F805 H827 E828 K833 K834 E835 | F805-A831 HydrophobicContact CD2-CB 4.46Å; F805-A831 HydrophobicContact CE2-CB 4.41Å; H827-A831 WeakPolarHBondContact O-CB 3.34Å; H827-A831 PolarHBondContact O-N 2.81Å; E828-A831 WeakPolarHBondContact O-CB 3.26Å; E828-A831 PolarHBondContact O-N 3.18Å; E828-A831 VanDerWaalsContact O-N 3.14Å; A831-K833 VanDerWaalsContact C-N 3.34Å; A831-K833 PolarHBondContact O-N 2.95Å; A831-K834 PolarHBondContact O-N 3.4Å; A831-E835 PolarHBondContact O-N 3.45Å |
| 832 | Q | 81.6 | Confident | 78.1 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.3 | -70.2 | 178.4 | 7.1 | 0 | 0 | 112 | E828 K834 E835 L836 | E828-Q832 WeakPolarHBondContact O-CG 3.37Å; E828-Q832 PolarHBondContact O-N 2.8Å; E828-Q832 PolarHBondContact OE1-NE2 3.05Å; Q832-K834 PolarHBondContact O-N 3.5Å; Q832-E835 PolarHBondContact O-N 3.19Å; Q832-L836 PolarHBondContact O-N 3.15Å |
| 833 | K | 79.9 | Confident | 75.4 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.3 | -176.4 | -179.8 | 174.4 | -174.3 | 0 | 112.1 | L829 I830 A831 E835 L836 E837 | L829-K833 WeakPolarHBondContact O-CB 3.26Å; L829-K833 PolarHBondContact O-N 3.46Å; I830-K833 PolarHBondContact O-N 2.97Å; A831-K833 VanDerWaalsContact C-N 3.34Å; A831-K833 PolarHBondContact O-N 2.95Å; K833-E835 VanDerWaalsContact C-N 3.31Å; K833-E835 PolarHBondContact O-N 3.39Å; K833-L836 PolarHBondContact O-N 3.46Å; K833-E837 WeakPolarHBondContact CE-OE1 3.36Å; K833-E837 IonicContact NZ-OE1 3.95Å; K833-E837 WeakPolarHBondContact O-CG 3.5Å; K833-E837 PolarHBondContact O-N 3.33Å |
| 834 | K | 79.4 | Confident | 72.1 | Confident | 131 Ų | 131 | 83.2 Ų | 83.2 | 57% | 0.57 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 177 | -74.7 | 174.6 | -179.3 | 175.1 | 0 | 111.9 | I830 A831 Q832 E837 Y838 | I830-K834 HydrophobicContact CG2-CD 4.32Å; I830-K834 WeakPolarHBondContact O-CG 3.43Å; I830-K834 PolarHBondContact O-N 2.84Å; A831-K834 PolarHBondContact O-N 3.4Å; Q832-K834 PolarHBondContact O-N 3.5Å; K834-E837 PolarHBondContact O-N 3.34Å; K834-Y838 WeakPolarHBondContact O-CB 3.21Å; K834-Y838 PolarHBondContact O-N 2.99Å |
| 835 | E | 73.4 | Confident | 68.9 | Low | 90 Ų | 90 | 89.1 Ų | 89.1 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.1 | -166.6 | 176.9 | 174.4 | 0 | 0 | 111.8 | A831 Q832 K833 Y838 Q839 | A831-E835 PolarHBondContact O-N 3.45Å; Q832-E835 PolarHBondContact O-N 3.19Å; K833-E835 VanDerWaalsContact C-N 3.31Å; K833-E835 PolarHBondContact O-N 3.39Å; E835-Y838 PolarHBondContact O-N 3.33Å; E835-Q839 WeakPolarHBondContact O-CG 3.2Å; E835-Q839 PolarHBondContact O-N 2.88Å |
| 836 | L | 70 | Confident | 65.6 | Low | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.5 | -82 | 152.1 | 0 | 0 | 0 | 112.7 | Q832 K833 Q839 T840 | Q832-L836 PolarHBondContact O-N 3.15Å; K833-L836 PolarHBondContact O-N 3.46Å; L836-Q839 PolarHBondContact O-N 2.89Å; L836-T840 PolarHBondContact O-N 3.01Å; L836-T840 PolarHBondContact O-OG1 3.16Å |
| 837 | E | 72.8 | Confident | 62.3 | Low | 98 Ų | 98 | 101 Ų | 101 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.6 | -74.9 | 175.1 | 179 | 0 | 0 | 111.6 | K833 K834 T840 I841 | K833-E837 WeakPolarHBondContact CE-OE1 3.36Å; K833-E837 IonicContact NZ-OE1 3.95Å; K833-E837 WeakPolarHBondContact O-CG 3.5Å; K833-E837 PolarHBondContact O-N 3.33Å; K834-E837 PolarHBondContact O-N 3.34Å; E837-T840 PolarHBondContact O-N 2.95Å; E837-T840 VanDerWaalsContact O-N 3.17Å; E837-I841 WeakPolarHBondContact O-CG1 3.42Å; E837-I841 PolarHBondContact O-N 3.14Å |
| 838 | Y | 65.3 | Low | 59.1 | Low | 164 Ų | 164 | 108.1 Ų | 108.1 | 64% | 0.643 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 176.3 | -176.5 | -97.6 | 0 | 0 | 0 | 112.4 | K834 E835 T840 I841 T842 | K834-Y838 WeakPolarHBondContact O-CB 3.21Å; K834-Y838 PolarHBondContact O-N 2.99Å; E835-Y838 PolarHBondContact O-N 3.33Å; Y838-T840 VanDerWaalsContact C-N 3.29Å; Y838-T840 PolarHBondContact O-N 2.75Å; Y838-I841 PolarHBondContact O-N 3.42Å; Y838-T842 HydrophobicContact CD1-CG2 4.45Å; Y838-T842 HydrophobicContact CE1-CG2 3.97Å; Y838-T842 HydrophobicContact CE2-CG2 4.18Å; Y838-T842 PolarHBondContact O-N 3.23Å; Y838-T842 VanDerWaalsContact O-N 3.13Å; Y838-T842 PolarHBondContact O-OG1 2.94Å |
| 839 | Q | 56.8 | Low | 55.8 | Low | 73 Ų | 73 | 114.9 Ų | 114.9 | 34% | 0.341 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -37.3 | 173.3 | -70 | -179.5 | 13.5 | 0 | 0 | 111.5 | E835 L836 T842 Y843 | E835-Q839 WeakPolarHBondContact O-CG 3.2Å; E835-Q839 PolarHBondContact O-N 2.88Å; L836-Q839 PolarHBondContact O-N 2.89Å; Q839-T842 PolarHBondContact O-OG1 3.09Å; Q839-Y843 VanDerWaalsContact O-CD2 3.32Å; Q839-Y843 WeakPolarHBondContact O-CD2 3.48Å |
| 840 | T | 51.7 | Low | 52.6 | Low | 107 Ų | 107 | 115 Ų | 115 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.1 | -36.5 | 179.5 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | L836 E837 Y838 | L836-T840 PolarHBondContact O-N 3.01Å; L836-T840 PolarHBondContact O-OG1 3.16Å; E837-T840 PolarHBondContact O-N 2.95Å; E837-T840 VanDerWaalsContact O-N 3.17Å; Y838-T840 VanDerWaalsContact C-N 3.29Å; Y838-T840 PolarHBondContact O-N 2.75Å |
| 841 | I | 49.3 | Very low | 49.5 | Very low | 135 Ų | 135 | 118.4 Ų | 118.4 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.1 | -31.1 | -178.3 | -64.3 | 164.2 | 0 | 0 | 0 | 112.3 | E837 Y838 Y843 | E837-I841 WeakPolarHBondContact O-CG1 3.42Å; E837-I841 PolarHBondContact O-N 3.14Å; Y838-I841 PolarHBondContact O-N 3.42Å; I841-Y843 VanDerWaalsContact C-N 3.33Å; I841-Y843 PolarHBondContact O-N 3.04Å |
| 842 | T | 44.3 | Very low | 46.5 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 47% | 0.466 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.6 | -15.2 | -179.4 | 42.4 | 0 | 0 | 0 | 0 | 114 | Y838 Q839 | Y838-T842 HydrophobicContact CD1-CG2 4.45Å; Y838-T842 HydrophobicContact CE1-CG2 3.97Å; Y838-T842 HydrophobicContact CE2-CG2 4.18Å; Y838-T842 PolarHBondContact O-N 3.23Å; Y838-T842 VanDerWaalsContact O-N 3.13Å; Y838-T842 PolarHBondContact O-OG1 2.94Å; Q839-T842 PolarHBondContact O-OG1 3.09Å |
| 843 | Y | 35 | Very low | 43.7 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 62% | 0.616 | 66% | 0.661 | S | S | * | * | trans | -102.7 | 71.2 | 174.3 | -76.2 | -73.7 | 0 | 0 | 0 | 111.9 | Q839 I841 | Q839-Y843 VanDerWaalsContact O-CD2 3.32Å; Q839-Y843 WeakPolarHBondContact O-CD2 3.48Å; I841-Y843 VanDerWaalsContact C-N 3.33Å; I841-Y843 PolarHBondContact O-N 3.04Å | ||
| 844 | E | 25.6 | Very low | 41.1 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | -62.8 | 138.6 | 153.4 | -82.8 | -171.7 | 156.6 | 0 | 0 | 108.8 | Q846 | E844-Q846 VanDerWaalsContact C-N 3.34Å; E844-Q846 PolarHBondContact O-N 2.87Å | ||
| 845 | P | 28.5 | Very low | 38.4 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -68.6 | 91.4 | -174.9 | 27.3 | -32.1 | 0 | 0 | 0 | 109.9 | T847 | P845-T847 PolarHBondContact O-N 3.22Š| ||
| 846 | Q | 25 | Very low | 35.8 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | trans | -62.5 | 107.6 | 162.6 | -70.2 | -173.2 | 0.9 | 0 | 0 | 107 | E844 L848 | E844-Q846 VanDerWaalsContact C-N 3.34Å; E844-Q846 PolarHBondContact O-N 2.87Å; Q846-L848 PolarHBondContact O-N 2.94Å | ||
| 847 | T | 23.5 | Very low | 33.6 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -35.5 | 103.1 | 173.5 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | P845 I849 | P845-T847 PolarHBondContact O-N 3.22Å; T847-I849 VanDerWaalsContact C-N 3.33Å; T847-I849 PolarHBondContact O-N 3.37Å | ||
| 848 | L | 24.7 | Very low | 31 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 93% | 0.932 | 74% | 0.736 | S | S | * | * | trans | -66 | 96.5 | 165 | -82.9 | 159.8 | 0 | 0 | 0 | 107.4 | Q846 S850 | Q846-L848 PolarHBondContact O-N 2.94Å; L848-S850 PolarHBondContact O-N 3Å; L848-S850 VanDerWaalsContact O-N 3.09Å | ||
| 849 | I | 23.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -63.5 | 108.6 | 172 | -67.2 | 171.1 | 0 | 0 | 0 | 107.7 | T847 | T847-I849 VanDerWaalsContact C-N 3.33Å; T847-I849 PolarHBondContact O-N 3.37Å | ||
| 850 | S | 21.9 | Very low | 27 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | 29.2 | 100.4 | 152.2 | 65.6 | 0 | 0 | 0 | 0 | 117 | L848 | L848-S850 PolarHBondContact O-N 3Å; L848-S850 VanDerWaalsContact O-N 3.09Å | ||
| 851 | N | 22.5 | Very low | 25.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -129.4 | 106.4 | 135.1 | -89.7 | -29.3 | 0 | 0 | 0 | 107.5 | V853 | N851-V853 PolarHBondContact O-N 3.22Å; N851-V853 VanDerWaalsContact O-N 3.07Å | ||
| 852 | S | 22.2 | Very low | 24.2 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -52.7 | 107 | 172.2 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 853 | V | 23.5 | Very low | 23 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 119.1 | 154.3 | -177.2 | 0 | 0 | 0 | 0 | 105 | N851 N855 | N851-V853 PolarHBondContact O-N 3.22Å; N851-V853 VanDerWaalsContact O-N 3.07Å; V853-N855 PolarHBondContact O-N 3.43Å | ||
| 854 | P | 24 | Very low | 22.4 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 137.1 | -167.9 | -12.5 | 26.7 | 0 | 0 | 0 | 111.4 | L856 | P854-L856 PolarHBondContact O-N 2.99Å; P854-L856 VanDerWaalsContact O-N 3.09Å | ||
| 855 | N | 22.4 | Very low | 22.2 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -41.8 | 110.7 | 166.2 | -82.1 | -29.3 | 0 | 0 | 0 | 111.8 | V853 Q857 | V853-N855 PolarHBondContact O-N 3.43Å; N855-Q857 PolarHBondContact O-N 3.31Å; N855-Q857 VanDerWaalsContact O-N 3.15Å | ||
| 856 | L | 20.6 | Very low | 21.7 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 77 | 153.4 | -84.9 | 157.9 | 0 | 0 | 0 | 107.6 | P854 | P854-L856 PolarHBondContact O-N 2.99Å; P854-L856 VanDerWaalsContact O-N 3.09Å | ||
| 857 | Q | 21.9 | Very low | 21.3 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -85 | 112.1 | 160.5 | -101 | 172.2 | -20.4 | 0 | 0 | 108 | N855 Q859 | N855-Q857 PolarHBondContact O-N 3.31Å; N855-Q857 VanDerWaalsContact O-N 3.15Å; Q857-Q859 PolarHBondContact O-N 3.31Å | ||
| 858 | L | 19.8 | Very low | 21 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -62.3 | 97.9 | 162.1 | -82.4 | 124.1 | 0 | 0 | 0 | 108.8 | ||||
| 859 | Q | 18.9 | Very low | 20.8 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -129.2 | 121.8 | 151.9 | -85.1 | -173.3 | -15.4 | 0 | 0 | 109.6 | Q857 D861 | Q857-Q859 PolarHBondContact O-N 3.31Å; Q859-D861 PolarHBondContact O-N 3.04Å | ||
| 860 | T | 18.8 | Very low | 20.5 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -53 | 121.7 | 163.9 | 48 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 861 | D | 20.7 | Very low | 20.5 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | 171.7 | 124.3 | 118.4 | -82.6 | -21 | 0 | 0 | 0 | 112.8 | Q859 | Q859-D861 PolarHBondContact O-N 3.04Š| |||
| 862 | T | 20.1 | Very low | 20.4 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | 32.8 | 123.5 | 145.3 | 61.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 863 | N | 20.6 | Very low | 20.3 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 82.8 | 125.6 | 135 | -72.8 | -21.2 | 0 | 0 | 0 | 121.1 | ||||
| 864 | T | 22.3 | Very low | 20.1 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 101.3 | 144.8 | 151.8 | 55.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 865 | P | 21 | Very low | 20 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | -117.5 | 164.6 | -132.2 | 42 | -32.4 | 0 | 0 | 0 | 115.7 | ||||
| 866 | I | 18.6 | Very low | 20 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 50.3 | 117.7 | 144.7 | -59.9 | 160.2 | 0 | 0 | 0 | 117.2 | ||||
| 867 | Q | 16.9 | Very low | 20.2 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | -156.1 | 121.1 | 117.2 | -108.1 | 173.1 | 34.5 | 0 | 0 | 112.8 | |||||
| 868 | T | 16.9 | Very low | 20.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 133.6 | 168 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 869 | Q | 18.9 | Very low | 20.4 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -143.4 | 147.9 | 145.2 | -76.8 | -162.1 | -9.2 | 0 | 0 | 111.4 | ||||
| 870 | S | 17.4 | Very low | 20.8 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -121.1 | 142.5 | -154.2 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 871 | S | 22.1 | Very low | 21.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 170 | 106.6 | 143.4 | 54.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 872 | S | 20.2 | Very low | 21.5 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | 116.1 | 117.3 | 63.9 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 873 | D | 20.4 | Very low | 22 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 87 | 98.1 | 145 | -58.9 | -23.1 | 0 | 0 | 0 | 122.9 | ||||
| 874 | N | 20.5 | Very low | 22.4 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | 63.5 | 103.4 | 114.8 | -82.5 | -16.4 | 0 | 0 | 0 | 121.3 | |||||
| 875 | Q | 21.1 | Very low | 22.6 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | 153.2 | 119.6 | 104.4 | -90.7 | 173 | 8.1 | 0 | 0 | 114.7 | |||||
| 876 | N | 21.3 | Very low | 23 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 48.9 | 111.5 | 150.9 | -65.5 | -7.1 | 0 | 0 | 0 | 122.5 | ||||
| 877 | P | 24.8 | Very low | 23.7 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -100.9 | 104.9 | 167 | 34.5 | -23.2 | 0 | 0 | 0 | 112 | ||||
| 878 | T | 22.4 | Very low | 24.5 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 77% | 0.767 | 69% | 0.693 | S | S | * | * | trans | -141.8 | 99.9 | 160.6 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 879 | N | 24.1 | Very low | 25 | Very low | 169 Ų | 169 | 117.4 Ų | 117.4 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | trans | -167.7 | 84.6 | 161.5 | -92.4 | -19.5 | 0 | 0 | 0 | 108.6 | ||||
| 880 | F | 26.6 | Very low | 25.7 | Very low | 210 Ų | 210 | 112.8 Ų | 112.8 | 92% | 0.921 | 66% | 0.661 | S | S | * | * | trans | -81.4 | 123.1 | 162.3 | -85.6 | -83.5 | 0 | 0 | 0 | 108.1 | ||||
| 881 | S | 27.7 | Very low | 26.7 | Very low | 80 Ų | 80 | 114.4 Ų | 114.4 | 56% | 0.559 | 65% | 0.65 | S | S | * | * | trans | -78.9 | 149.7 | -177.7 | 80.5 | 0 | 0 | 0 | 0 | 112.5 | A883 G884 | S881-A883 PolarHBondContact O-N 3.47Å; S881-A883 VanDerWaalsContact O-N 3.14Å; S881-G884 PolarHBondContact O-N 2.88Å; S881-G884 VanDerWaalsContact O-N 3.08Å | ||
| 882 | T | 27.7 | Very low | 27.6 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -55.7 | -25.2 | -179.6 | 25.6 | 0 | 0 | 0 | 0 | 114.9 | L885 S886 | T882-L885 PolarHBondContact O-N 3.19Å; T882-S886 PolarHBondContact O-N 2.99Å |
| 883 | A | 31.3 | Very low | 28.8 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.5 | -27.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S881 S886 T887 | S881-A883 PolarHBondContact O-N 3.47Å; S881-A883 VanDerWaalsContact O-N 3.14Å; A883-S886 PolarHBondContact O-OG 3.05Å; A883-T887 PolarHBondContact O-N 3.2Å; A883-T887 PolarHBondContact O-OG1 2.89Å |
| 884 | G | 27.8 | Very low | 30.3 | Very low | 33 Ų | 33 | 107.1 Ų | 107.1 | 34% | 0.34 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -38.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S881 I888 | S881-G884 PolarHBondContact O-N 2.88Å; S881-G884 VanDerWaalsContact O-N 3.08Å; G884-I888 WeakPolarHBondContact O-CB 3.5Å; G884-I888 WeakPolarHBondContact O-CD1 3.33Å; G884-I888 VanDerWaalsContact O-CG1 3.22Å; G884-I888 WeakPolarHBondContact O-CG1 3.48Å; G884-I888 PolarHBondContact O-N 3.46Å |
| 885 | L | 26.9 | Very low | 32 | Very low | 103 Ų | 103 | 104.8 Ų | 104.8 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.2 | -45.4 | 178.1 | -75.8 | 166.5 | 0 | 0 | 0 | 112.1 | T882 T887 I888 T889 | T882-L885 PolarHBondContact O-N 3.19Å; L885-T887 VanDerWaalsContact C-N 3.3Å; L885-T887 PolarHBondContact O-N 3.18Å; L885-I888 PolarHBondContact O-N 3.36Å; L885-T889 WeakPolarHBondContact O-CB 3.4Å; L885-T889 PolarHBondContact O-N 3.31Å; L885-T889 PolarHBondContact O-OG1 2.83Å |
| 886 | S | 30.6 | Very low | 34 | Very low | 60 Ų | 60 | 101 Ų | 101 | 42% | 0.42 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -37.3 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | T882 A883 N890 | T882-S886 PolarHBondContact O-N 2.99Å; A883-S886 PolarHBondContact O-OG 3.05Å; S886-N890 VanDerWaalsContact O-CB 3.29Å; S886-N890 WeakPolarHBondContact O-CB 3.43Å; S886-N890 PolarHBondContact O-N 3.49Å; S886-N890 PolarHBondContact O-ND2 3.05Å |
| 887 | T | 33.3 | Very low | 36.2 | Very low | 73 Ų | 73 | 97.2 Ų | 97.2 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -40.8 | 177.3 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | A883 L885 R891 | A883-T887 PolarHBondContact O-N 3.2Å; A883-T887 PolarHBondContact O-OG1 2.89Å; L885-T887 VanDerWaalsContact C-N 3.3Å; L885-T887 PolarHBondContact O-N 3.18Å; T887-R891 WeakPolarHBondContact O-CG 3.3Å; T887-R891 PolarHBondContact O-N 2.93Å; T887-R891 VanDerWaalsContact O-N 3.09Å |
| 888 | I | 32.2 | Very low | 38.4 | Very low | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -46.9 | 176.4 | -69.1 | 166.4 | 0 | 0 | 0 | 110.3 | G884 L885 N890 R891 I892 | G884-I888 WeakPolarHBondContact O-CB 3.5Å; G884-I888 WeakPolarHBondContact O-CD1 3.33Å; G884-I888 VanDerWaalsContact O-CG1 3.22Å; G884-I888 WeakPolarHBondContact O-CG1 3.48Å; G884-I888 PolarHBondContact O-N 3.46Å; L885-I888 PolarHBondContact O-N 3.36Å; I888-N890 PolarHBondContact O-N 2.96Å; I888-R891 PolarHBondContact O-N 3.38Å; I888-I892 HydrophobicContact CG2-CD1 3.58Å; I888-I892 HydrophobicContact CG2-CG1 4.31Å; I888-I892 VanDerWaalsContact O-CG1 3.28Å; I888-I892 WeakPolarHBondContact O-CG1 3.28Å; I888-I892 PolarHBondContact O-N 2.93Å |
| 889 | T | 27.9 | Very low | 40.9 | Very low | 74 Ų | 74 | 91.2 Ų | 91.2 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L885 R891 I892 S893 | L885-T889 WeakPolarHBondContact O-CB 3.4Å; L885-T889 PolarHBondContact O-N 3.31Å; L885-T889 PolarHBondContact O-OG1 2.83Å; T889-R891 PolarHBondContact O-N 3.43Å; T889-I892 PolarHBondContact O-N 3.37Å; T889-S893 WeakPolarHBondContact O-CB 3.43Å; T889-S893 PolarHBondContact O-N 2.97Å; T889-S893 PolarHBondContact O-OG 3.44Å |
| 890 | N | 33.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 86.1 Ų | 86.1 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 178 | -73.4 | -7.9 | 0 | 0 | 0 | 112.4 | S886 I888 S894 | S886-N890 VanDerWaalsContact O-CB 3.29Å; S886-N890 WeakPolarHBondContact O-CB 3.43Å; S886-N890 PolarHBondContact O-N 3.49Å; S886-N890 PolarHBondContact O-ND2 3.05Å; I888-N890 PolarHBondContact O-N 2.96Å; N890-S894 WeakPolarHBondContact O-CB 3.31Å; N890-S894 PolarHBondContact O-N 3.27Å; N890-S894 PolarHBondContact O-OG 3Å |
| 891 | R | 39.1 | Very low | 46.1 | Very low | 148 Ų | 148 | 77.4 Ų | 77.4 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 174.3 | -79.7 | -176.1 | -178.3 | 173.2 | 0.5 | 112.3 | T887 I888 T889 S894 T895 | T887-R891 WeakPolarHBondContact O-CG 3.3Å; T887-R891 PolarHBondContact O-N 2.93Å; T887-R891 VanDerWaalsContact O-N 3.09Å; I888-R891 PolarHBondContact O-N 3.38Å; T889-R891 PolarHBondContact O-N 3.43Å; R891-S894 PolarHBondContact O-N 2.66Å; R891-T895 WeakPolarHBondContact O-CB 3.14Å; R891-T895 PolarHBondContact O-N 3.1Å; R891-T895 PolarHBondContact O-OG1 3.28Å |
| 892 | I | 39.4 | Very low | 48.8 | Very low | 92 Ų | 92 | 76.1 Ų | 76.1 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178 | -66.4 | 167.1 | 0 | 0 | 0 | 110 | I888 T889 S894 T895 N896 | I888-I892 HydrophobicContact CG2-CD1 3.58Å; I888-I892 HydrophobicContact CG2-CG1 4.31Å; I888-I892 VanDerWaalsContact O-CG1 3.28Å; I888-I892 WeakPolarHBondContact O-CG1 3.28Å; I888-I892 PolarHBondContact O-N 2.93Å; T889-I892 PolarHBondContact O-N 3.37Å; I892-S894 PolarHBondContact O-N 3.45Å; I892-T895 PolarHBondContact O-N 2.98Å; I892-N896 WeakPolarHBondContact O-CB 3.13Å; I892-N896 VanDerWaalsContact O-CG 3.28Å; I892-N896 PolarHBondContact O-N 3.14Å |
| 893 | S | 45.4 | Very low | 51.6 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 32% | 0.315 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | T889 T895 N896 I897 | T889-S893 WeakPolarHBondContact O-CB 3.43Å; T889-S893 PolarHBondContact O-N 2.97Å; T889-S893 PolarHBondContact O-OG 3.44Å; S893-T895 PolarHBondContact O-N 3.41Å; S893-N896 PolarHBondContact O-N 3.09Å; S893-I897 WeakPolarHBondContact O-CD1 3.46Å; S893-I897 VanDerWaalsContact O-CG1 3.27Å; S893-I897 WeakPolarHBondContact O-CG1 3.47Å; S893-I897 PolarHBondContact O-N 3.38Å |
| 894 | S | 52.1 | Low | 54.4 | Low | 61 Ų | 61 | 69.5 Ų | 69.5 | 43% | 0.427 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.8 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | N890 R891 I892 I897 L898 | N890-S894 WeakPolarHBondContact O-CB 3.31Å; N890-S894 PolarHBondContact O-N 3.27Å; N890-S894 PolarHBondContact O-OG 3Å; R891-S894 PolarHBondContact O-N 2.66Å; I892-S894 PolarHBondContact O-N 3.45Å; S894-I897 PolarHBondContact O-N 3.27Å; S894-L898 PolarHBondContact O-N 3.03Å; S894-L898 VanDerWaalsContact O-N 3.17Å |
| 895 | T | 57.7 | Low | 57.4 | Low | 90 Ų | 90 | 69.6 Ų | 69.6 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 179.9 | -46.2 | 0 | 0 | 0 | 0 | 111 | R891 I892 S893 F899 | R891-T895 WeakPolarHBondContact O-CB 3.14Å; R891-T895 PolarHBondContact O-N 3.1Å; R891-T895 PolarHBondContact O-OG1 3.28Å; I892-T895 PolarHBondContact O-N 2.98Å; S893-T895 PolarHBondContact O-N 3.41Å; T895-F899 VanDerWaalsContact O-CB 3.28Å; T895-F899 WeakPolarHBondContact O-CB 3.35Å; T895-F899 PolarHBondContact O-N 2.51Å |
| 896 | N | 61.9 | Low | 60.5 | Low | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -37 | 176.8 | -73.7 | -5.8 | 0 | 0 | 0 | 112.8 | I892 S893 H900 | I892-N896 WeakPolarHBondContact O-CB 3.13Å; I892-N896 VanDerWaalsContact O-CG 3.28Å; I892-N896 PolarHBondContact O-N 3.14Å; S893-N896 PolarHBondContact O-N 3.09Å; N896-H900 PolarHBondContact O-N 3.02Å |
| 897 | I | 68.6 | Low | 63.4 | Low | 70 Ų | 70 | 64.5 Ų | 64.5 | 36% | 0.359 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -49.3 | 177.6 | -67.7 | 162 | 0 | 0 | 0 | 110.6 | S893 S894 F899 H900 H901 | S893-I897 WeakPolarHBondContact O-CD1 3.46Å; S893-I897 VanDerWaalsContact O-CG1 3.27Å; S893-I897 WeakPolarHBondContact O-CG1 3.47Å; S893-I897 PolarHBondContact O-N 3.38Å; S894-I897 PolarHBondContact O-N 3.27Å; I897-F899 VanDerWaalsContact C-N 3.28Å; I897-F899 PolarHBondContact O-N 2.7Å; I897-H900 PolarHBondContact O-N 3.46Å; I897-H901 PolarHBondContact O-N 3.17Å |
| 898 | L | 69.4 | Low | 66.3 | Low | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 177.1 | -73.9 | 168.4 | 0 | 0 | 0 | 111.3 | S894 H900 H901 V902 | S894-L898 PolarHBondContact O-N 3.03Å; S894-L898 VanDerWaalsContact O-N 3.17Å; L898-H900 PolarHBondContact O-N 2.73Å; L898-H901 PolarHBondContact O-N 2.57Å; L898-V902 WeakPolarHBondContact O-CB 3.37Å; L898-V902 VanDerWaalsContact O-CG2 3.27Å; L898-V902 WeakPolarHBondContact O-CG2 3.41Å; L898-V902 PolarHBondContact O-N 2.78Å |
| 899 | F | 74.7 | Confident | 69.2 | Low | 83 Ų | 83 | 57 Ų | 57 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 175.5 | -177.8 | -90.6 | 0 | 0 | 0 | 112.2 | T895 I897 H901 V902 S903 A934 D935 | T895-F899 VanDerWaalsContact O-CB 3.28Å; T895-F899 WeakPolarHBondContact O-CB 3.35Å; T895-F899 PolarHBondContact O-N 2.51Å; I897-F899 VanDerWaalsContact C-N 3.28Å; I897-F899 PolarHBondContact O-N 2.7Å; F899-H901 PolarHBondContact O-N 3Å; F899-V902 PolarHBondContact O-N 3.44Å; F899-S903 WeakPolarHBondContact O-CB 3.38Å; F899-S903 PolarHBondContact O-N 3.08Å; F899-S903 PolarHBondContact O-OG 3.35Å; F899-S903 VanDerWaalsContact O-OG 3.12Å; F899-A934 HydrophobicContact CE2-CB 3.64Å; F899-A934 HydrophobicContact CZ-CB 3.63Å; F899-A934 WeakPolarHBondContact CZ-O 3.31Å; F899-D935 HydrophobicContact CE1-CB 3.93Å; F899-D935 HydrophobicContact CZ-CB 3.89Å |
| 900 | H | 78.9 | Confident | 72.2 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.1 | -173 | -63.1 | 0 | 0 | 0 | 112.2 | N896 I897 L898 S903 E904 | N896-H900 PolarHBondContact O-N 3.02Å; I897-H900 PolarHBondContact O-N 3.46Å; L898-H900 PolarHBondContact O-N 2.73Å; H900-S903 PolarHBondContact O-N 2.98Å; H900-E904 IonicContact CE1-OE1 3.87Å; H900-E904 WeakPolarHBondContact O-CG 3.45Å; H900-E904 PolarHBondContact O-N 3.41Å |
| 901 | H | 82 | Confident | 74.9 | Confident | 27 Ų | 27 | 51 Ų | 51 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.9 | -69.4 | 177.8 | 0 | 0 | 0 | 112.1 | R801 I806 I897 L898 F899 E904 Y905 | R801-H901 PolarHBondContact O-NE2 3.3Å; R801-H901 VanDerWaalsContact O-NE2 3.14Å; I806-H901 HydrophobicContact CD1-CB 4.03Å; I806-H901 WeakPolarHBondContact CD1-O 3.41Å; I897-H901 PolarHBondContact O-N 3.17Å; L898-H901 PolarHBondContact O-N 2.57Å; F899-H901 PolarHBondContact O-N 3Å; H901-E904 PolarHBondContact O-N 3.34Å; H901-Y905 WeakPolarHBondContact O-CB 3.3Å; H901-Y905 PolarHBondContact O-N 2.95Å |
| 902 | V | 84.5 | Confident | 77.4 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L898 F899 E904 Y905 H906 | L898-V902 WeakPolarHBondContact O-CB 3.37Å; L898-V902 VanDerWaalsContact O-CG2 3.27Å; L898-V902 WeakPolarHBondContact O-CG2 3.41Å; L898-V902 PolarHBondContact O-N 2.78Å; F899-V902 PolarHBondContact O-N 3.44Å; V902-E904 PolarHBondContact O-N 2.98Å; V902-Y905 WeakPolarHBondContact O-CB 3.39Å; V902-Y905 PolarHBondContact O-N 2.97Å; V902-H906 PolarHBondContact O-CD2 2.94Å; V902-H906 PolarHBondContact O-N 2.72Å |
| 903 | S | 86.7 | Confident | 79.7 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.9 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | F899 H900 H906 L907 I931 | F899-S903 WeakPolarHBondContact O-CB 3.38Å; F899-S903 PolarHBondContact O-N 3.08Å; F899-S903 PolarHBondContact O-OG 3.35Å; F899-S903 VanDerWaalsContact O-OG 3.12Å; H900-S903 PolarHBondContact O-N 2.98Å; S903-H906 PolarHBondContact O-N 2.81Å; S903-L907 WeakPolarHBondContact O-CB 3.26Å; S903-L907 PolarHBondContact O-N 3.34Å; S903-I931 WeakPolarHBondContact O-CD1 3.43Å |
| 904 | E | 89.2 | Confident | 81.7 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 175.9 | -73.4 | -66.4 | 159.8 | 0 | 0 | 112.4 | M802 I806 H900 H901 V902 L907 L908 | M802-E904 HydrophobicContact CE-CB 4.18Å; M802-E904 HydrophobicContact CE-CG 3.91Å; I806-E904 HydrophobicContact CD1-CB 4.27Å; I806-E904 HydrophobicContact CG2-CB 3.91Å; H900-E904 IonicContact CE1-OE1 3.87Å; H900-E904 WeakPolarHBondContact O-CG 3.45Å; H900-E904 PolarHBondContact O-N 3.41Å; H901-E904 PolarHBondContact O-N 3.34Å; V902-E904 PolarHBondContact O-N 2.98Å; E904-L907 PolarHBondContact O-N 3.23Å; E904-L908 WeakPolarHBondContact O-CG 3.46Å; E904-L908 PolarHBondContact O-N 3.07Å |
| 905 | Y | 91.2 | Very high | 83.2 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -51.2 | 173.6 | 169.1 | -93.1 | 0 | 0 | 0 | 111.5 | L825 E828 L829 H901 V902 L907 L908 C909 | L825-Y905 HydrophobicContact CB-CD2 4.47Å; L825-Y905 HydrophobicContact CB-CE2 3.95Å; L825-Y905 HydrophobicContact CD2-CD2 3.84Å; L825-Y905 HydrophobicContact CD2-CE2 4.16Å; L825-Y905 WeakPolarHBondContact O-CE2 3.28Å; E828-Y905 HydrophobicContact CB-CD2 4.35Å; E828-Y905 HydrophobicContact CG-CD2 3.99Å; L829-Y905 HydrophobicContact CB-CE2 4.43Å; H901-Y905 WeakPolarHBondContact O-CB 3.3Å; H901-Y905 PolarHBondContact O-N 2.95Å; V902-Y905 WeakPolarHBondContact O-CB 3.39Å; V902-Y905 PolarHBondContact O-N 2.97Å; Y905-L907 VanDerWaalsContact C-N 3.3Å; Y905-L907 PolarHBondContact O-N 3.37Å; Y905-L908 PolarHBondContact O-N 3.21Å; Y905-C909 VanDerWaalsContact CZ-SG 3.58Å; Y905-C909 PolarHBondContact O-N 3.22Å; Y905-C909 PolarHBondContact O-SG 2.68Å |
| 906 | H | 91.5 | Very high | 84.1 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 20% | 0.199 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 178.3 | -75.3 | -64.8 | 0 | 0 | 0 | 111.9 | V902 S903 C909 A910 N927 I931 | V902-H906 PolarHBondContact O-CD2 2.94Å; V902-H906 PolarHBondContact O-N 2.72Å; S903-H906 PolarHBondContact O-N 2.81Å; H906-C909 PolarHBondContact O-N 2.97Å; H906-A910 WeakPolarHBondContact O-CB 3.2Å; H906-A910 PolarHBondContact O-N 3.46Å; H906-N927 HydrophobicContact CB-CB 4.45Å; H906-N927 PolarHBondContact ND1-OD1 3.39Å; H906-I931 HydrophobicContact CB-CD1 3.79Å; H906-I931 HydrophobicContact CB-CG1 3.69Å |
| 907 | L | 92.8 | Very high | 84.3 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.4 | -177.7 | 64.4 | 0 | 0 | 0 | 111 | S903 E904 Y905 A910 R911 I931 E940 C944 | S903-L907 WeakPolarHBondContact O-CB 3.26Å; S903-L907 PolarHBondContact O-N 3.34Å; E904-L907 PolarHBondContact O-N 3.23Å; Y905-L907 VanDerWaalsContact C-N 3.3Å; Y905-L907 PolarHBondContact O-N 3.37Å; L907-A910 PolarHBondContact O-N 2.87Å; L907-R911 WeakPolarHBondContact O-CG 3.25Å; L907-R911 PolarHBondContact O-N 3.12Å; L907-I931 HydrophobicContact CB-CD1 3.84Å; L907-I931 HydrophobicContact CD1-CD1 4.43Å; L907-E940 HydrophobicContact CD1-CB 4.18Å; L907-E940 HydrophobicContact CD2-CB 3.63Å; L907-E940 HydrophobicContact CD2-CG 4.2Å; L907-C944 HydrophobicContact CD1-CB 4.1Å |
| 908 | L | 93.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 175.1 | -70.1 | 177 | 0 | 0 | 0 | 111.8 | I806 A809 E810 L813 L825 E904 Y905 A910 R911 L912 | I806-L908 HydrophobicContact CB-CD1 4.48Å; I806-L908 HydrophobicContact CG2-CD1 3.59Å; A809-L908 HydrophobicContact CB-CD1 3.87Å; E810-L908 HydrophobicContact CB-CD1 4.46Å; E810-L908 HydrophobicContact CB-CD2 4.13Å; E810-L908 HydrophobicContact CG-CD2 4.49Å; L813-L908 HydrophobicContact CD2-CD2 3.72Å; L825-L908 HydrophobicContact CD1-CB 4.31Å; L825-L908 HydrophobicContact CD2-CB 3.96Å; L825-L908 HydrophobicContact CD2-CD1 4.08Å; E904-L908 WeakPolarHBondContact O-CG 3.46Å; E904-L908 PolarHBondContact O-N 3.07Å; Y905-L908 PolarHBondContact O-N 3.21Å; L908-A910 VanDerWaalsContact C-N 3.35Å; L908-A910 PolarHBondContact O-N 2.75Å; L908-R911 PolarHBondContact O-N 2.92Å; L908-L912 VanDerWaalsContact O-CB 3.26Å; L908-L912 WeakPolarHBondContact O-CB 3.4Å; L908-L912 PolarHBondContact O-N 3.25Å |
| 909 | C | 92.2 | Very high | 84.2 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 173 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | Y905 H906 L912 S913 | Y905-C909 VanDerWaalsContact CZ-SG 3.58Å; Y905-C909 PolarHBondContact O-N 3.22Å; Y905-C909 PolarHBondContact O-SG 2.68Å; H906-C909 PolarHBondContact O-N 2.97Å; C909-L912 PolarHBondContact O-N 3.48Å; C909-S913 WeakPolarHBondContact O-CB 3.29Å; C909-S913 PolarHBondContact O-N 2.92Å; C909-S913 PolarHBondContact O-OG 2.71Å |
| 910 | A | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H906 L907 L908 S913 M914 A924 N927 A928 | H906-A910 WeakPolarHBondContact O-CB 3.2Å; H906-A910 PolarHBondContact O-N 3.46Å; L907-A910 PolarHBondContact O-N 2.87Å; L908-A910 VanDerWaalsContact C-N 3.35Å; L908-A910 PolarHBondContact O-N 2.75Å; A910-S913 PolarHBondContact O-N 3.44Å; A910-M914 WeakPolarHBondContact O-CB 3.29Å; A910-M914 PolarHBondContact O-N 3.04Å; A910-A924 WeakPolarHBondContact CB-O 3.41Å; A910-A924 WeakPolarHBondContact O-CB 3.41Å; A910-N927 HydrophobicContact CB-CB 3.96Å; A910-A928 HydrophobicContact CB-CB 4.35Å |
| 911 | R | 92.3 | Very high | 84.8 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 177.5 | -70.1 | 172.2 | 63.6 | -165.4 | -2.3 | 112.5 | L813 D814 L907 L908 M914 N915 | L813-R911 HydrophobicContact CD2-CB 3.64Å; D814-R911 IonicContact OD1-CZ 3.73Å; D814-R911 IonicContact OD1-NH2 3.82Å; D814-R911 PolarHBondContact OD1-NH2 3.01Å; L907-R911 WeakPolarHBondContact O-CG 3.25Å; L907-R911 PolarHBondContact O-N 3.12Å; L908-R911 PolarHBondContact O-N 2.92Å; R911-M914 PolarHBondContact O-N 2.83Å; R911-N915 PolarHBondContact O-N 3.44Å; R911-N915 VanDerWaalsContact O-N 3.11Å; R911-N915 PolarHBondContact O-ND2 2.66Å |
| 912 | L | 91.1 | Very high | 85.1 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 174.9 | 176.7 | 64 | 0 | 0 | 0 | 110.5 | L813 Y818 V821 L825 L908 C909 M914 N915 S916 | L813-L912 HydrophobicContact CD1-CB 4.4Å; L813-L912 HydrophobicContact CD1-CD1 4.29Å; Y818-L912 HydrophobicContact CD1-CD1 3.85Å; Y818-L912 HydrophobicContact CG-CD1 4.21Å; V821-L912 HydrophobicContact CB-CD1 4.13Å; V821-L912 HydrophobicContact CG1-CB 4.49Å; V821-L912 HydrophobicContact CG1-CD1 4.08Å; V821-L912 HydrophobicContact CG1-CD2 4.12Å; V821-L912 HydrophobicContact CG1-CG 4.46Å; L825-L912 HydrophobicContact CD1-CD2 4.1Å; L908-L912 VanDerWaalsContact O-CB 3.26Å; L908-L912 WeakPolarHBondContact O-CB 3.4Å; L908-L912 PolarHBondContact O-N 3.25Å; C909-L912 PolarHBondContact O-N 3.48Å; L912-M914 VanDerWaalsContact C-N 3.31Å; L912-M914 PolarHBondContact O-N 3.46Å; L912-N915 PolarHBondContact O-N 3.39Å; L912-S916 VanDerWaalsContact O-CB 3.26Å; L912-S916 WeakPolarHBondContact O-CB 3.2Å; L912-S916 PolarHBondContact O-N 3.48Å |
| 913 | S | 88 | Confident | 85.2 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | -179.4 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | C909 A910 S916 | C909-S913 WeakPolarHBondContact O-CB 3.29Å; C909-S913 PolarHBondContact O-N 2.92Å; C909-S913 PolarHBondContact O-OG 2.71Å; A910-S913 PolarHBondContact O-N 3.44Å; S913-S916 PolarHBondContact O-OG 3.39Å |
| 914 | M | 86.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.3 | -172.1 | 177.3 | 74.8 | 0 | 0 | 113.4 | A910 R911 L912 H947 L948 I951 | A910-M914 WeakPolarHBondContact O-CB 3.29Å; A910-M914 PolarHBondContact O-N 3.04Å; R911-M914 PolarHBondContact O-N 2.83Å; L912-M914 VanDerWaalsContact C-N 3.31Å; L912-M914 PolarHBondContact O-N 3.46Å; M914-H947 HydrophobicContact SD-CB 4.11Å; M914-L948 HydrophobicContact CB-CD2 3.84Å; M914-L948 HydrophobicContact CG-CD2 3.68Å; M914-L948 HydrophobicContact SD-CD2 3.96Å; M914-L948 HydrophobicContact SD-CG 4.24Å; M914-I951 HydrophobicContact CG-CD1 4.02Å; M914-I951 HydrophobicContact SD-CD1 3.95Å |
| 915 | N | 83.4 | Confident | 85.5 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -93.5 | -14.8 | -173.3 | -68.3 | -26.8 | 0 | 0 | 0 | 113.6 | Y818 R911 L912 | Y818-N915 HydrophobicContact CE1-CB 3.66Å; R911-N915 PolarHBondContact O-N 3.44Å; R911-N915 VanDerWaalsContact O-N 3.11Å; R911-N915 PolarHBondContact O-ND2 2.66Å; L912-N915 PolarHBondContact O-N 3.39Å |
| 916 | S | 77.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -59.5 | 148.9 | 178.5 | 73.1 | 0 | 0 | 0 | 0 | 111.5 | L912 S913 K918 Q919 | L912-S916 VanDerWaalsContact O-CB 3.26Å; L912-S916 WeakPolarHBondContact O-CB 3.2Å; L912-S916 PolarHBondContact O-N 3.48Å; S913-S916 PolarHBondContact O-OG 3.39Å; S916-K918 PolarHBondContact O-N 3.4Å; S916-Q919 WeakPolarHBondContact O-CG 3.24Å; S916-Q919 PolarHBondContact O-N 3.48Å; S916-Q919 PolarHBondContact OG-N 3.27Å |
| 917 | Y | 64.9 | Low | 85.6 | Confident | 125 Ų | 125 | 55.3 Ų | 55.3 | 49% | 0.49 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.3 | 178.3 | -63.9 | -72 | 0 | 0 | 0 | 114.3 | L585 N588 Y818 | L585-Y917 PolarHBondContact O-OH 3.5Å; N588-Y917 WeakPolarHBondContact CA-OH 3.05Å; N588-Y917 HydrophobicContact CB-CE1 3.6Å; N588-Y917 WeakPolarHBondContact CB-OH 3.39Å; N588-Y917 PolarHBondContact N-OH 3.22Å; N588-Y917 PolarHBondContact OD1-OH 3.18Å; Y818-Y917 HydrophobicContact CD2-CD2 4.48Å; Y818-Y917 HydrophobicContact CD2-CE2 4Å; Y818-Y917 HydrophobicContact CE2-CE2 4.34Å |
| 918 | K | 65.2 | Low | 85.6 | Confident | 194 Ų | 194 | 54.8 Ų | 54.8 | 84% | 0.843 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16 | 177.7 | -69.3 | -174.9 | 178.8 | 178.4 | 0 | 113.2 | S916 D920 | S916-K918 PolarHBondContact O-N 3.4Å; K918-D920 PolarHBondContact O-N 3.04Å |
| 919 | Q | 72.3 | Confident | 85.5 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | trans | 38.7 | 63.5 | -174.9 | -67.8 | -170.9 | -22.3 | 0 | 0 | 112.4 | S916 L921 | S916-Q919 WeakPolarHBondContact O-CG 3.24Å; S916-Q919 PolarHBondContact O-N 3.48Å; S916-Q919 PolarHBondContact OG-N 3.27Å; Q919-L921 PolarHBondContact O-N 3.48Å | ||
| 920 | D | 80.6 | Confident | 85.5 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | trans | -75.8 | 83 | 171.7 | -162.1 | -28.4 | 0 | 0 | 0 | 109.7 | K918 S922 E923 A924 | K918-D920 PolarHBondContact O-N 3.04Å; D920-S922 PolarHBondContact O-N 3.32Å; D920-S922 WeakPolarHBondContact OD1-CB 3.42Å; D920-S922 PolarHBondContact OD1-N 3.21Å; D920-S922 VanDerWaalsContact OD1-N 3.13Å; D920-S922 PolarHBondContact OD1-OG 3.3Å; D920-E923 HydrophobicContact CB-CB 4.34Å; D920-E923 PolarHBondContact OD1-N 3.27Å; D920-E923 VanDerWaalsContact OD1-N 3.17Å; D920-A924 PolarHBondContact O-N 2.99Å | ||
| 921 | L | 85.6 | Confident | 85.5 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -24.1 | 179.8 | -59.7 | 179.3 | 0 | 0 | 0 | 112 | Q919 E925 L948 I951 | Q919-L921 PolarHBondContact O-N 3.48Å; L921-E925 VanDerWaalsContact O-CB 3.29Å; L921-E925 WeakPolarHBondContact O-CB 3.4Å; L921-E925 PolarHBondContact O-N 3.33Å; L921-L948 HydrophobicContact CD2-CD2 3.91Å; L921-I951 HydrophobicContact CD1-CG2 4.29Å; L921-I951 HydrophobicContact CD2-CG2 4.3Å |
| 922 | S | 87.1 | Confident | 85.5 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 58% | 0.58 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -74 | -44.5 | -177.3 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | D920 A924 E925 F926 | D920-S922 PolarHBondContact O-N 3.32Å; D920-S922 WeakPolarHBondContact OD1-CB 3.42Å; D920-S922 PolarHBondContact OD1-N 3.21Å; D920-S922 VanDerWaalsContact OD1-N 3.13Å; D920-S922 PolarHBondContact OD1-OG 3.3Å; S922-A924 VanDerWaalsContact C-N 3.33Å; S922-E925 PolarHBondContact O-N 3.42Å; S922-F926 WeakPolarHBondContact O-CB 3.3Å; S922-F926 PolarHBondContact O-N 3.16Å |
| 923 | E | 87.7 | Confident | 85.3 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 173 | -178.9 | 171.7 | -168.2 | 0 | 0 | 111 | D920 E925 F926 N927 | D920-E923 HydrophobicContact CB-CB 4.34Å; D920-E923 PolarHBondContact OD1-N 3.27Å; D920-E923 VanDerWaalsContact OD1-N 3.17Å; E923-E925 PolarHBondContact O-N 2.94Å; E923-F926 PolarHBondContact O-N 3.47Å; E923-N927 WeakPolarHBondContact CG-ND2 3.37Å; E923-N927 PolarHBondContact O-N 3.18Å; E923-N927 PolarHBondContact O-ND2 2.93Å |
| 924 | A | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A910 D920 S922 A928 L948 | A910-A924 WeakPolarHBondContact CB-O 3.41Å; A910-A924 WeakPolarHBondContact O-CB 3.41Å; D920-A924 PolarHBondContact O-N 2.99Å; S922-A924 VanDerWaalsContact C-N 3.33Å; A924-A928 WeakPolarHBondContact O-CB 3.43Å; A924-A928 PolarHBondContact O-N 3.3Å; A924-L948 HydrophobicContact CB-CD1 3.67Å; A924-L948 HydrophobicContact CB-CD2 3.5Å; A924-L948 VanDerWaalsContact CB-CD2 3.5Å; A924-L948 HydrophobicContact CB-CG 4.24Å |
| 925 | E | 92.1 | Very high | 85.1 | Confident | 61 Ų | 61 | 67 Ų | 67 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.8 | -176.9 | -178.2 | 152.1 | 0 | 0 | 111.8 | L921 S922 E923 A928 S929 L945 R949 | L921-E925 VanDerWaalsContact O-CB 3.29Å; L921-E925 WeakPolarHBondContact O-CB 3.4Å; L921-E925 PolarHBondContact O-N 3.33Å; S922-E925 PolarHBondContact O-N 3.42Å; E923-E925 PolarHBondContact O-N 2.94Å; E925-A928 PolarHBondContact O-N 2.92Å; E925-S929 VanDerWaalsContact O-CB 3.3Å; E925-S929 WeakPolarHBondContact O-CB 3.37Å; E925-S929 PolarHBondContact O-N 3.26Å; E925-S929 PolarHBondContact O-OG 3.26Å; E925-L945 HydrophobicContact CG-CD1 4Å; E925-R949 VanDerWaalsContact CD-CZ 3.41Å; E925-R949 VanDerWaalsContact CD-NH2 3.29Å; E925-R949 IonicContact OE1-CZ 2.67Å; E925-R949 IonicContact OE1-NH1 3.42Å; E925-R949 PolarHBondContact OE1-NH1 2.96Å; E925-R949 IonicContact OE1-NH2 2.68Å; E925-R949 PolarHBondContact OE1-NH2 2.97Å; E925-R949 IonicContact OE2-CZ 3.28Å; E925-R949 IonicContact OE2-NH1 2.72Å; E925-R949 PolarHBondContact OE2-NH1 3.46Å; E925-R949 IonicContact OE2-NH2 2.64Å |
| 926 | F | 92.1 | Very high | 85.3 | Confident | 130 Ų | 130 | 67 Ų | 67 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.3 | -50 | 177.1 | 176.8 | -104.8 | 0 | 0 | 0 | 111.4 | S922 E923 A928 S929 L930 | S922-F926 WeakPolarHBondContact O-CB 3.3Å; S922-F926 PolarHBondContact O-N 3.16Å; E923-F926 PolarHBondContact O-N 3.47Å; F926-A928 PolarHBondContact O-N 3.45Å; F926-S929 PolarHBondContact O-N 2.86Å; F926-L930 HydrophobicContact CD1-CD1 4Å; F926-L930 HydrophobicContact CE1-CD1 3.46Å; F926-L930 VanDerWaalsContact CE1-CD1 3.46Å; F926-L930 HydrophobicContact CE1-CG 4.23Å; F926-L930 HydrophobicContact CE2-CD1 4.4Å; F926-L930 HydrophobicContact CE2-CD2 4.37Å; F926-L930 HydrophobicContact CE2-CG 4.36Å; F926-L930 HydrophobicContact CZ-CD1 3.7Å; F926-L930 HydrophobicContact CZ-CD2 4.19Å; F926-L930 HydrophobicContact CZ-CG 4.11Å; F926-L930 WeakPolarHBondContact O-CG 3.43Å; F926-L930 PolarHBondContact O-N 3.46Å |
| 927 | N | 92.1 | Very high | 85.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.9 | -78.8 | -71.2 | 0 | 0 | 0 | 112.5 | H906 A910 E923 S929 L930 I931 | H906-N927 HydrophobicContact CB-CB 4.45Å; H906-N927 PolarHBondContact ND1-OD1 3.39Å; A910-N927 HydrophobicContact CB-CB 3.96Å; E923-N927 WeakPolarHBondContact CG-ND2 3.37Å; E923-N927 PolarHBondContact O-N 3.18Å; E923-N927 PolarHBondContact O-ND2 2.93Å; N927-S929 VanDerWaalsContact C-N 3.32Å; N927-S929 PolarHBondContact O-N 3.03Å; N927-L930 PolarHBondContact O-N 3.38Å; N927-I931 WeakPolarHBondContact O-CG1 3.47Å; N927-I931 PolarHBondContact O-N 3.19Å |
| 928 | A | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A910 A924 E925 F926 I931 I932 L945 L948 | A910-A928 HydrophobicContact CB-CB 4.35Å; A924-A928 WeakPolarHBondContact O-CB 3.43Å; A924-A928 PolarHBondContact O-N 3.3Å; E925-A928 PolarHBondContact O-N 2.92Å; F926-A928 PolarHBondContact O-N 3.45Å; A928-I931 PolarHBondContact O-N 3.42Å; A928-I932 WeakPolarHBondContact O-CG1 3.39Å; A928-I932 PolarHBondContact O-N 3.36Å; A928-L945 HydrophobicContact CB-CB 4.23Å; A928-L948 HydrophobicContact CB-CD1 4.4Å |
| 929 | S | 91.9 | Very high | 88.1 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | E925 F926 N927 I931 I932 E933 | E925-S929 VanDerWaalsContact O-CB 3.3Å; E925-S929 WeakPolarHBondContact O-CB 3.37Å; E925-S929 PolarHBondContact O-N 3.26Å; E925-S929 PolarHBondContact O-OG 3.26Å; F926-S929 PolarHBondContact O-N 2.86Å; N927-S929 VanDerWaalsContact C-N 3.32Å; N927-S929 PolarHBondContact O-N 3.03Å; S929-I931 VanDerWaalsContact C-N 3.27Å; S929-I931 PolarHBondContact O-N 3.34Å; S929-I932 PolarHBondContact O-N 3.34Å; S929-I932 VanDerWaalsContact O-N 3.16Å; S929-E933 WeakPolarHBondContact O-CG 3.4Å; S929-E933 PolarHBondContact O-N 3.12Å |
| 930 | L | 91.7 | Very high | 89 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 29% | 0.288 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.7 | -41.7 | 174.6 | -74.4 | 176 | 0 | 0 | 0 | 112.1 | F926 N927 A934 | F926-L930 HydrophobicContact CD1-CD1 4Å; F926-L930 HydrophobicContact CE1-CD1 3.46Å; F926-L930 VanDerWaalsContact CE1-CD1 3.46Å; F926-L930 HydrophobicContact CE1-CG 4.23Å; F926-L930 HydrophobicContact CE2-CD1 4.4Å; F926-L930 HydrophobicContact CE2-CD2 4.37Å; F926-L930 HydrophobicContact CE2-CG 4.36Å; F926-L930 HydrophobicContact CZ-CD1 3.7Å; F926-L930 HydrophobicContact CZ-CD2 4.19Å; F926-L930 HydrophobicContact CZ-CG 4.11Å; F926-L930 WeakPolarHBondContact O-CG 3.43Å; F926-L930 PolarHBondContact O-N 3.46Å; N927-L930 PolarHBondContact O-N 3.38Å; L930-A934 WeakPolarHBondContact O-CB 3.02Å; L930-A934 PolarHBondContact O-N 3.39Å; L930-A934 VanDerWaalsContact O-N 3.07Å |
| 931 | I | 91.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 178.1 | -55 | 159.5 | 0 | 0 | 0 | 110.4 | S903 H906 L907 N927 A928 S929 A934 D935 A938 A941 | S903-I931 WeakPolarHBondContact O-CD1 3.43Å; H906-I931 HydrophobicContact CB-CD1 3.79Å; H906-I931 HydrophobicContact CB-CG1 3.69Å; L907-I931 HydrophobicContact CB-CD1 3.84Å; L907-I931 HydrophobicContact CD1-CD1 4.43Å; N927-I931 WeakPolarHBondContact O-CG1 3.47Å; N927-I931 PolarHBondContact O-N 3.19Å; A928-I931 PolarHBondContact O-N 3.42Å; S929-I931 VanDerWaalsContact C-N 3.27Å; S929-I931 PolarHBondContact O-N 3.34Å; I931-A934 PolarHBondContact O-N 3.04Å; I931-D935 PolarHBondContact O-N 3.35Å; I931-A938 HydrophobicContact CG2-CB 3.99Å; I931-A941 HydrophobicContact CB-CB 3.83Å; I931-A941 HydrophobicContact CD1-CB 4.22Å; I931-A941 HydrophobicContact CG2-CB 3.64Å |
| 932 | I | 91 | Very high | 90.1 | Very high | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -37.1 | -179.6 | -67.6 | 165.5 | 0 | 0 | 0 | 111.8 | A928 S929 A934 D935 P936 A941 W942 L945 | A928-I932 WeakPolarHBondContact O-CG1 3.39Å; A928-I932 PolarHBondContact O-N 3.36Å; S929-I932 PolarHBondContact O-N 3.34Å; S929-I932 VanDerWaalsContact O-N 3.16Å; I932-A934 VanDerWaalsContact C-N 3.28Å; I932-D935 CarbonylContact O-C 3.52Å; I932-P936 WeakPolarHBondContact O-CA 3.49Å; I932-A941 HydrophobicContact CD1-CB 4.4Å; I932-A941 HydrophobicContact CG1-CB 3.79Å; I932-W942 HydrophobicContact CD1-CD2 3.93Å; I932-W942 HydrophobicContact CD1-CE3 4.07Å; I932-W942 HydrophobicContact CD1-CG 4.28Å; I932-W942 HydrophobicContact CD1-CZ3 4.46Å; I932-W942 HydrophobicContact CG1-CD2 4.27Å; I932-W942 HydrophobicContact CG1-CG 4.4Å; I932-W942 HydrophobicContact CG2-CD2 4.42Å; I932-W942 HydrophobicContact CG2-CH2 3.92Å; I932-W942 HydrophobicContact CG2-CZ2 3.35Å; I932-L945 HydrophobicContact CD1-CB 4.06Å; I932-L945 HydrophobicContact CD1-CD2 3.51Å; I932-L945 HydrophobicContact CD1-CG 4.42Å |
| 933 | E | 87.7 | Confident | 90.4 | Very high | 156 Ų | 156 | 46.1 Ų | 46.1 | 73% | 0.729 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.5 | -36.8 | 173.7 | -75.1 | -178.8 | -178.3 | 0 | 0 | 111.6 | S929 | S929-E933 WeakPolarHBondContact O-CG 3.4Å; S929-E933 PolarHBondContact O-N 3.12Å |
| 934 | A | 85.3 | Confident | 90.7 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 44% | 0.438 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -77.4 | -44.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F899 L930 I931 I932 | F899-A934 HydrophobicContact CE2-CB 3.64Å; F899-A934 HydrophobicContact CZ-CB 3.63Å; F899-A934 WeakPolarHBondContact CZ-O 3.31Å; L930-A934 WeakPolarHBondContact O-CB 3.02Å; L930-A934 PolarHBondContact O-N 3.39Å; L930-A934 VanDerWaalsContact O-N 3.07Å; I931-A934 PolarHBondContact O-N 3.04Å; I932-A934 VanDerWaalsContact C-N 3.28Å |
| 935 | D | 84.8 | Confident | 90.9 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | trans | -135.4 | 98.2 | 177.4 | 178.8 | 12.1 | 0 | 0 | 0 | 111 | F899 I931 I932 E937 A938 | F899-D935 HydrophobicContact CE1-CB 3.93Å; F899-D935 HydrophobicContact CZ-CB 3.89Å; I931-D935 PolarHBondContact O-N 3.35Å; I932-D935 CarbonylContact O-C 3.52Å; D935-E937 PolarHBondContact O-N 3.05Å; D935-E937 VanDerWaalsContact O-N 3.17Å; D935-E937 WeakPolarHBondContact OD1-CA 3.37Å; D935-E937 PolarHBondContact OD1-N 3.25Å; D935-A938 HydrophobicContact CB-CB 4.21Å; D935-A938 WeakPolarHBondContact O-CB 3.46Å; D935-A938 PolarHBondContact O-N 2.71Å | ||
| 936 | P | 87.2 | Confident | 91 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.2 | 177 | -23.9 | 35.1 | 0 | 0 | 0 | 115.2 | I932 W942 | I932-P936 WeakPolarHBondContact O-CA 3.49Å; P936-W942 PolarHBondContact O-NE1 3.35Å |
| 937 | E | 87.1 | Confident | 91 | Very high | 107 Ų | 107 | 33.5 Ų | 33.5 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.2 | 178.1 | -61.2 | -166.7 | 170.9 | 0 | 0 | 113.6 | D935 V939 L968 T970 | D935-E937 PolarHBondContact O-N 3.05Å; D935-E937 VanDerWaalsContact O-N 3.17Å; D935-E937 WeakPolarHBondContact OD1-CA 3.37Å; D935-E937 PolarHBondContact OD1-N 3.25Å; E937-V939 PolarHBondContact O-N 3.28Å; E937-L968 HydrophobicContact CB-CD2 4.5Å; E937-L968 HydrophobicContact CG-CD2 4.46Å; E937-T970 PolarHBondContact O-OG1 2.8Å |
| 938 | A | 87.7 | Confident | 91 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | trans | -70 | 94.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I931 D935 E940 A941 W942 | I931-A938 HydrophobicContact CG2-CB 3.99Å; D935-A938 HydrophobicContact CB-CB 4.21Å; D935-A938 WeakPolarHBondContact O-CB 3.46Å; D935-A938 PolarHBondContact O-N 2.71Å; A938-E940 VanDerWaalsContact C-N 3.35Å; A938-E940 PolarHBondContact O-N 3.02Å; A938-A941 HydrophobicContact CB-CB 4.04Å; A938-A941 PolarHBondContact O-N 3.38Å; A938-W942 PolarHBondContact O-N 3.37Å | ||
| 939 | V | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | -176.7 | 159.4 | 0 | 0 | 0 | 0 | 112.8 | E937 A941 W942 A943 L968 T970 P973 | E937-V939 PolarHBondContact O-N 3.28Å; V939-A941 VanDerWaalsContact C-N 3.34Å; V939-A941 PolarHBondContact O-N 3.27Å; V939-W942 PolarHBondContact O-N 2.97Å; V939-A943 WeakPolarHBondContact O-CB 3.4Å; V939-A943 PolarHBondContact O-N 3.4Å; V939-L968 HydrophobicContact CB-CD1 4.5Å; V939-L968 HydrophobicContact CG2-CB 3.41Å; V939-L968 VanDerWaalsContact CG2-CB 3.41Å; V939-L968 HydrophobicContact CG2-CD1 3.48Å; V939-L968 VanDerWaalsContact CG2-CD1 3.48Å; V939-L968 HydrophobicContact CG2-CG 4.06Å; V939-T970 WeakPolarHBondContact CG2-OG1 3.42Å; V939-P973 HydrophobicContact CG1-CB 3.72Å; V939-P973 HydrophobicContact CG1-CG 3.98Å |
| 940 | E | 91.8 | Very high | 91 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 29% | 0.285 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | 178.3 | -73.9 | 74.5 | -171.8 | 0 | 0 | 111.9 | L907 A938 A943 C944 | L907-E940 HydrophobicContact CD1-CB 4.18Å; L907-E940 HydrophobicContact CD2-CB 3.63Å; L907-E940 HydrophobicContact CD2-CG 4.2Å; A938-E940 VanDerWaalsContact C-N 3.35Å; A938-E940 PolarHBondContact O-N 3.02Å; E940-A943 PolarHBondContact O-N 3.49Å; E940-C944 VanDerWaalsContact O-CB 3.26Å; E940-C944 WeakPolarHBondContact O-CB 3.31Å; E940-C944 PolarHBondContact O-N 2.82Å |
| 941 | A | 92.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | I931 I932 A938 V939 A943 C944 L945 | I931-A941 HydrophobicContact CB-CB 3.83Å; I931-A941 HydrophobicContact CD1-CB 4.22Å; I931-A941 HydrophobicContact CG2-CB 3.64Å; I932-A941 HydrophobicContact CD1-CB 4.4Å; I932-A941 HydrophobicContact CG1-CB 3.79Å; A938-A941 HydrophobicContact CB-CB 4.04Å; A938-A941 PolarHBondContact O-N 3.38Å; V939-A941 VanDerWaalsContact C-N 3.34Å; V939-A941 PolarHBondContact O-N 3.27Å; A941-A943 PolarHBondContact O-N 2.62Å; A941-C944 PolarHBondContact O-N 3.03Å; A941-L945 WeakPolarHBondContact O-CB 3.37Å; A941-L945 PolarHBondContact O-N 3.05Å |
| 942 | W | 95.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 41 Ų | 41 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.2 | -78.2 | 107.8 | 0 | 0 | 0 | 112.6 | I932 P936 A938 V939 G946 C961 R964 C965 L968 | I932-W942 HydrophobicContact CD1-CD2 3.93Å; I932-W942 HydrophobicContact CD1-CE3 4.07Å; I932-W942 HydrophobicContact CD1-CG 4.28Å; I932-W942 HydrophobicContact CD1-CZ3 4.46Å; I932-W942 HydrophobicContact CG1-CD2 4.27Å; I932-W942 HydrophobicContact CG1-CG 4.4Å; I932-W942 HydrophobicContact CG2-CD2 4.42Å; I932-W942 HydrophobicContact CG2-CH2 3.92Å; I932-W942 HydrophobicContact CG2-CZ2 3.35Å; P936-W942 PolarHBondContact O-NE1 3.35Å; A938-W942 PolarHBondContact O-N 3.37Å; V939-W942 PolarHBondContact O-N 2.97Å; W942-G946 PolarHBondContact O-N 3.47Å; W942-C961 HydrophobicContact CE3-CB 4.12Å; W942-R964 HydrophobicContact CD2-CB 4.31Å; W942-R964 HydrophobicContact CD2-CG 3.88Å; W942-R964 HydrophobicContact CE3-CB 4.25Å; W942-R964 HydrophobicContact CE3-CG 4.22Å; W942-R964 HydrophobicContact CG-CG 4.3Å; W942-R964 HydrophobicContact CH2-CG 4.45Å; W942-R964 HydrophobicContact CZ2-CG 4.11Å; W942-R964 HydrophobicContact CZ3-CG 4.49Å; W942-C965 WeakPolarHBondContact CB-SG 3.48Å; W942-L968 HydrophobicContact CG-CD1 4.33Å |
| 943 | A | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V939 E940 A941 L945 G946 H947 C965 P973 L979 | V939-A943 WeakPolarHBondContact O-CB 3.4Å; V939-A943 PolarHBondContact O-N 3.4Å; E940-A943 PolarHBondContact O-N 3.49Å; A941-A943 PolarHBondContact O-N 2.62Å; A943-L945 PolarHBondContact O-N 2.96Å; A943-G946 PolarHBondContact O-N 2.91Å; A943-G946 VanDerWaalsContact O-N 3.16Å; A943-H947 PolarHBondContact O-CD2 2.93Å; A943-H947 PolarHBondContact O-N 3.4Å; A943-C965 PolarHBondContact N-SG 3.09Å; A943-P973 HydrophobicContact CB-CB 4Å; A943-P973 HydrophobicContact CB-CG 4.25Å; A943-L979 HydrophobicContact CB-CD1 3.9Å |
| 944 | C | 93.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | L907 E940 A941 G946 H947 L948 | L907-C944 HydrophobicContact CD1-CB 4.1Å; E940-C944 VanDerWaalsContact O-CB 3.26Å; E940-C944 WeakPolarHBondContact O-CB 3.31Å; E940-C944 PolarHBondContact O-N 2.82Å; A941-C944 PolarHBondContact O-N 3.03Å; C944-G946 VanDerWaalsContact C-N 3.34Å; C944-G946 PolarHBondContact O-N 3.01Å; C944-H947 WeakPolarHBondContact O-CB 3.48Å; C944-H947 PolarHBondContact O-N 3.33Å; C944-H947 VanDerWaalsContact O-N 3.1Å; C944-L948 WeakPolarHBondContact O-CG 3.29Å; C944-L948 PolarHBondContact O-N 3.23Å |
| 945 | L | 94.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 176 | -177.3 | 61.4 | 0 | 0 | 0 | 111.8 | E925 A928 I932 A941 A943 H947 L948 R949 | E925-L945 HydrophobicContact CG-CD1 4Å; A928-L945 HydrophobicContact CB-CB 4.23Å; I932-L945 HydrophobicContact CD1-CB 4.06Å; I932-L945 HydrophobicContact CD1-CD2 3.51Å; I932-L945 HydrophobicContact CD1-CG 4.42Å; A941-L945 WeakPolarHBondContact O-CB 3.37Å; A941-L945 PolarHBondContact O-N 3.05Å; A943-L945 PolarHBondContact O-N 2.96Å; L945-H947 VanDerWaalsContact C-N 3.31Å; L945-H947 PolarHBondContact O-N 3.26Å; L945-L948 PolarHBondContact O-N 3.29Å; L945-R949 HydrophobicContact CD1-CG 4.4Å; L945-R949 WeakPolarHBondContact O-CG 3.42Å; L945-R949 PolarHBondContact O-N 2.87Å |
| 946 | G | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W942 A943 C944 R949 Y950 Y962 | W942-G946 PolarHBondContact O-N 3.47Å; A943-G946 PolarHBondContact O-N 2.91Å; A943-G946 VanDerWaalsContact O-N 3.16Å; C944-G946 VanDerWaalsContact C-N 3.34Å; C944-G946 PolarHBondContact O-N 3.01Å; G946-R949 PolarHBondContact O-N 2.98Å; G946-Y950 WeakPolarHBondContact O-CB 3.42Å; G946-Y950 PolarHBondContact O-N 3.13Å; G946-Y962 VanDerWaalsContact C-CZ 3.49Å; G946-Y962 VanDerWaalsContact C-OH 3.24Å; G946-Y962 PolarHBondContact O-OH 3.13Å |
| 947 | H | 92.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.7 | -69.4 | -53.6 | 0 | 0 | 0 | 113 | M914 A943 C944 L945 Y950 I951 Y962 D975 R982 | M914-H947 HydrophobicContact SD-CB 4.11Å; A943-H947 PolarHBondContact O-CD2 2.93Å; A943-H947 PolarHBondContact O-N 3.4Å; C944-H947 WeakPolarHBondContact O-CB 3.48Å; C944-H947 PolarHBondContact O-N 3.33Å; C944-H947 VanDerWaalsContact O-N 3.1Å; L945-H947 VanDerWaalsContact C-N 3.31Å; L945-H947 PolarHBondContact O-N 3.26Å; H947-Y950 PolarHBondContact O-N 3.48Å; H947-I951 WeakPolarHBondContact O-CD1 3.46Å; H947-I951 VanDerWaalsContact O-CG1 3.28Å; H947-I951 WeakPolarHBondContact O-CG1 3.29Å; H947-I951 PolarHBondContact O-N 3.36Å; H947-I951 VanDerWaalsContact O-N 3.07Å; H947-Y962 WeakPolarHBondContact CA-OH 3.45Å; H947-Y962 AromaticContact CE1-CE1 3.97Å; H947-Y962 PolarHBondContact CE1-OH 3.19Å; H947-Y962 PolarHBondContact N-OH 2.93Å; H947-Y962 AromaticContact ND1-CZ 3.93Å; H947-Y962 PolarHBondContact ND1-OH 3.08Å; H947-D975 IonicContact CD2-OD2 2.64Å; H947-D975 PolarHBondContact CD2-OD2 3.4Å; H947-D975 VanDerWaalsContact CD2-OD2 3.28Å; H947-D975 IonicContact CE1-OD2 2.71Å; H947-D975 IonicContact NE2-OD1 2.59Å; H947-D975 IonicContact NE2-OD2 3.38Å; H947-D975 PolarHBondContact NE2-OD2 3.24Å; H947-R982 WeakPolarHBondContact ND1-CD 3.49Å; H947-R982 PolarHBondContact ND1-NH1 2.55Å; H947-R982 PolarHBondContact O-NH1 3.18Å; H947-R982 VanDerWaalsContact O-NH1 3.11Å |
| 948 | L | 91.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 175.3 | -71.9 | 168.1 | 0 | 0 | 0 | 111.7 | M914 L921 A924 A928 C944 L945 Y950 I951 A952 | M914-L948 HydrophobicContact CB-CD2 3.84Å; M914-L948 HydrophobicContact CG-CD2 3.68Å; M914-L948 HydrophobicContact SD-CD2 3.96Å; M914-L948 HydrophobicContact SD-CG 4.24Å; L921-L948 HydrophobicContact CD2-CD2 3.91Å; A924-L948 HydrophobicContact CB-CD1 3.67Å; A924-L948 HydrophobicContact CB-CD2 3.5Å; A924-L948 VanDerWaalsContact CB-CD2 3.5Å; A924-L948 HydrophobicContact CB-CG 4.24Å; A928-L948 HydrophobicContact CB-CD1 4.4Å; C944-L948 WeakPolarHBondContact O-CG 3.29Å; C944-L948 PolarHBondContact O-N 3.23Å; L945-L948 PolarHBondContact O-N 3.29Å; L948-Y950 VanDerWaalsContact C-N 3.31Å; L948-Y950 PolarHBondContact O-N 3.14Å; L948-I951 PolarHBondContact O-N 3.06Å; L948-A952 WeakPolarHBondContact O-CB 3.3Å; L948-A952 PolarHBondContact O-N 3.13Å |
| 949 | R | 92.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 177.1 | -70.1 | -63 | -168.9 | -151.7 | -3.6 | 112.6 | E925 L945 G946 A952 G953 D954 A957 A958 | E925-R949 VanDerWaalsContact CD-CZ 3.41Å; E925-R949 VanDerWaalsContact CD-NH2 3.29Å; E925-R949 IonicContact OE1-CZ 2.67Å; E925-R949 IonicContact OE1-NH1 3.42Å; E925-R949 PolarHBondContact OE1-NH1 2.96Å; E925-R949 IonicContact OE1-NH2 2.68Å; E925-R949 PolarHBondContact OE1-NH2 2.97Å; E925-R949 IonicContact OE2-CZ 3.28Å; E925-R949 IonicContact OE2-NH1 2.72Å; E925-R949 PolarHBondContact OE2-NH1 3.46Å; E925-R949 IonicContact OE2-NH2 2.64Å; L945-R949 HydrophobicContact CD1-CG 4.4Å; L945-R949 WeakPolarHBondContact O-CG 3.42Å; L945-R949 PolarHBondContact O-N 2.87Å; G946-R949 PolarHBondContact O-N 2.98Å; R949-A952 PolarHBondContact O-N 2.66Å; R949-G953 PolarHBondContact O-N 2.82Å; R949-G953 VanDerWaalsContact O-N 3.1Å; R949-D954 PolarHBondContact O-N 3.2Å; R949-A957 HydrophobicContact CB-CB 4.32Å; R949-A957 HydrophobicContact CG-CB 3.99Å; R949-A958 HydrophobicContact CB-CB 3.86Å |
| 950 | Y | 91.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 175 | -177.6 | -93.1 | 0 | 0 | 0 | 111.9 | G946 H947 L948 A952 G953 L955 R982 I986 | G946-Y950 WeakPolarHBondContact O-CB 3.42Å; G946-Y950 PolarHBondContact O-N 3.13Å; H947-Y950 PolarHBondContact O-N 3.48Å; L948-Y950 VanDerWaalsContact C-N 3.31Å; L948-Y950 PolarHBondContact O-N 3.14Å; Y950-A952 VanDerWaalsContact C-N 3.34Å; Y950-G953 PolarHBondContact O-N 2.95Å; Y950-G953 VanDerWaalsContact O-N 3.16Å; Y950-L955 HydrophobicContact CD2-CD2 3.94Å; Y950-L955 HydrophobicContact CE2-CD2 4.04Å; Y950-R982 HydrophobicContact CD1-CG 4.22Å; Y950-R982 HydrophobicContact CD2-CB 4.26Å; Y950-R982 HydrophobicContact CD2-CG 4.42Å; Y950-R982 HydrophobicContact CE1-CG 4.04Å; Y950-R982 HydrophobicContact CE2-CB 4.21Å; Y950-R982 HydrophobicContact CE2-CG 4.26Å; Y950-R982 HydrophobicContact CG-CG 4.39Å; Y950-I986 HydrophobicContact CD2-CD1 4.04Å; Y950-I986 HydrophobicContact CD2-CG1 4.2Å; Y950-I986 HydrophobicContact CE2-CD1 4.45Å; Y950-I986 HydrophobicContact CE2-CG1 4.15Å |
| 951 | I | 87.1 | Confident | 93.1 | Very high | 68 Ų | 68 | 35.1 Ų | 35.1 | 35% | 0.349 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 176.8 | -67.6 | 164.5 | 0 | 0 | 0 | 110.9 | M914 L921 H947 L948 G953 | M914-I951 HydrophobicContact CG-CD1 4.02Å; M914-I951 HydrophobicContact SD-CD1 3.95Å; L921-I951 HydrophobicContact CD1-CG2 4.29Å; L921-I951 HydrophobicContact CD2-CG2 4.3Å; H947-I951 WeakPolarHBondContact O-CD1 3.46Å; H947-I951 VanDerWaalsContact O-CG1 3.28Å; H947-I951 WeakPolarHBondContact O-CG1 3.29Å; H947-I951 PolarHBondContact O-N 3.36Å; H947-I951 VanDerWaalsContact O-N 3.07Å; L948-I951 PolarHBondContact O-N 3.06Å; I951-G953 PolarHBondContact O-N 3.3Å |
| 952 | A | 88.8 | Confident | 93.3 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L948 R949 Y950 | L948-A952 WeakPolarHBondContact O-CB 3.3Å; L948-A952 PolarHBondContact O-N 3.13Å; R949-A952 PolarHBondContact O-N 2.66Å; Y950-A952 VanDerWaalsContact C-N 3.34Å |
| 953 | G | 88.2 | Confident | 93.3 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 53% | 0.526 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 1.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R949 Y950 I951 L955 | R949-G953 PolarHBondContact O-N 2.82Å; R949-G953 VanDerWaalsContact O-N 3.1Å; Y950-G953 PolarHBondContact O-N 2.95Å; Y950-G953 VanDerWaalsContact O-N 3.16Å; I951-G953 PolarHBondContact O-N 3.3Å; G953-L955 VanDerWaalsContact C-N 3.34Å; G953-L955 PolarHBondContact O-N 3.1Å |
| 954 | D | 92.2 | Very high | 93.2 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | trans | -82.4 | 81.3 | 173.3 | -171.8 | -8.8 | 0 | 0 | 0 | 110.3 | R949 N956 A957 A958 | R949-D954 PolarHBondContact O-N 3.2Å; D954-N956 VanDerWaalsContact C-N 3.27Å; D954-N956 PolarHBondContact O-N 3.08Å; D954-N956 PolarHBondContact OD1-N 3.48Å; D954-A957 HydrophobicContact CB-CB 4.3Å; D954-A957 VanDerWaalsContact CG-CB 3.45Å; D954-A957 PolarHBondContact OD1-N 3.42Å; D954-A957 VanDerWaalsContact OD2-CB 3.27Å; D954-A957 WeakPolarHBondContact OD2-CB 3.42Å; D954-A958 VanDerWaalsContact O-CB 3.32Å; D954-A958 WeakPolarHBondContact O-CB 3.31Å; D954-A958 PolarHBondContact O-N 3.32Å | ||
| 955 | L | 93.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 29% | 0.288 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -31.4 | -177.9 | -56.6 | 178.5 | 0 | 0 | 0 | 112.8 | Y950 G953 R959 I986 | Y950-L955 HydrophobicContact CD2-CD2 3.94Å; Y950-L955 HydrophobicContact CE2-CD2 4.04Å; G953-L955 VanDerWaalsContact C-N 3.34Å; G953-L955 PolarHBondContact O-N 3.1Å; L955-R959 WeakPolarHBondContact O-CB 3.02Å; L955-R959 PolarHBondContact O-N 2.75Å; L955-I986 HydrophobicContact CB-CG1 4.5Å; L955-I986 HydrophobicContact CB-CG2 4.37Å; L955-I986 HydrophobicContact CD2-CG1 4.24Å |
| 956 | N | 94.4 | Very high | 93 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.4 | -49.8 | -179.6 | -74.8 | -42.1 | 0 | 0 | 0 | 110.6 | D954 R959 S960 | D954-N956 VanDerWaalsContact C-N 3.27Å; D954-N956 PolarHBondContact O-N 3.08Å; D954-N956 PolarHBondContact OD1-N 3.48Å; N956-R959 PolarHBondContact O-N 3.25Å; N956-R959 PolarHBondContact OD1-NH2 3.22Å; N956-S960 PolarHBondContact O-N 2.94Å; N956-S960 VanDerWaalsContact O-N 3.1Å; N956-S960 PolarHBondContact O-OG 3.31Å |
| 957 | A | 93.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R949 D954 R959 S960 C961 | R949-A957 HydrophobicContact CB-CB 4.32Å; R949-A957 HydrophobicContact CG-CB 3.99Å; D954-A957 HydrophobicContact CB-CB 4.3Å; D954-A957 VanDerWaalsContact CG-CB 3.45Å; D954-A957 PolarHBondContact OD1-N 3.42Å; D954-A957 VanDerWaalsContact OD2-CB 3.27Å; D954-A957 WeakPolarHBondContact OD2-CB 3.42Å; A957-R959 VanDerWaalsContact C-N 3.33Å; A957-R959 PolarHBondContact O-N 3.27Å; A957-S960 PolarHBondContact O-N 3.38Å; A957-C961 PolarHBondContact O-N 3.22Å; A957-C961 PolarHBondContact O-SG 3.12Å; A957-C961 VanDerWaalsContact O-SG 3.34Å |
| 958 | A | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R949 D954 C961 Y962 I986 | R949-A958 HydrophobicContact CB-CB 3.86Å; D954-A958 VanDerWaalsContact O-CB 3.32Å; D954-A958 WeakPolarHBondContact O-CB 3.31Å; D954-A958 PolarHBondContact O-N 3.32Å; A958-C961 PolarHBondContact O-N 3.23Å; A958-Y962 HydrophobicContact CB-CE2 4.23Å; A958-Y962 WeakPolarHBondContact O-CD2 3.18Å; A958-Y962 VanDerWaalsContact O-CG 3.24Å; A958-Y962 PolarHBondContact O-N 2.99Å; A958-I986 HydrophobicContact CB-CD1 4.05Å |
| 959 | R | 96.8 | Very high | 92 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 174.8 | 168.6 | 168.9 | 44.7 | 93 | 0.8 | 111.9 | L955 N956 A957 C961 Y962 E963 L983 I986 Y987 E990 | L955-R959 WeakPolarHBondContact O-CB 3.02Å; L955-R959 PolarHBondContact O-N 2.75Å; N956-R959 PolarHBondContact O-N 3.25Å; N956-R959 PolarHBondContact OD1-NH2 3.22Å; A957-R959 VanDerWaalsContact C-N 3.33Å; A957-R959 PolarHBondContact O-N 3.27Å; R959-C961 VanDerWaalsContact C-N 3.29Å; R959-C961 PolarHBondContact O-N 3.34Å; R959-Y962 PolarHBondContact O-N 3.24Å; R959-Y962 VanDerWaalsContact O-N 3.15Å; R959-E963 WeakPolarHBondContact CD-OE1 3.43Å; R959-E963 HydrophobicContact CG-CG 4.07Å; R959-E963 WeakPolarHBondContact CG-OE1 3.31Å; R959-E963 WeakPolarHBondContact O-CB 3.3Å; R959-E963 WeakPolarHBondContact O-CG 3.44Å; R959-E963 PolarHBondContact O-N 2.89Å; R959-L983 HydrophobicContact CG-CD1 4.18Å; R959-I986 HydrophobicContact CB-CD1 4.4Å; R959-I986 HydrophobicContact CB-CG2 3.99Å; R959-Y987 HydrophobicContact CG-CE1 4.38Å; R959-E990 IonicContact CZ-OE1 2.67Å; R959-E990 IonicContact CZ-OE2 3.46Å; R959-E990 IonicContact NE-OE1 2.78Å; R959-E990 PolarHBondContact NE-OE1 2.72Å; R959-E990 IonicContact NE-OE2 3.91Å; R959-E990 PolarHBondContact NE-OE2 3.02Å; R959-E990 IonicContact NH1-OE2 3.55Å; R959-E990 VanDerWaalsContact NH2-CD 3.34Å; R959-E990 IonicContact NH2-OE1 2.71Å; R959-E990 PolarHBondContact NH2-OE1 3.18Å; R959-E990 IonicContact NH2-OE2 3.73Å; R959-E990 PolarHBondContact NH2-OE2 3.3Å |
| 960 | S | 95.9 | Very high | 91.4 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 46% | 0.462 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | N956 A957 R964 | N956-S960 PolarHBondContact O-N 2.94Å; N956-S960 VanDerWaalsContact O-N 3.1Å; N956-S960 PolarHBondContact O-OG 3.31Å; A957-S960 PolarHBondContact O-N 3.38Å; S960-R964 WeakPolarHBondContact O-CB 3.35Å; S960-R964 PolarHBondContact O-N 3.25Å |
| 961 | C | 95 | Very high | 90.8 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 173.1 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | W942 A957 A958 R959 R964 C965 | W942-C961 HydrophobicContact CE3-CB 4.12Å; A957-C961 PolarHBondContact O-N 3.22Å; A957-C961 PolarHBondContact O-SG 3.12Å; A957-C961 VanDerWaalsContact O-SG 3.34Å; A958-C961 PolarHBondContact O-N 3.23Å; R959-C961 VanDerWaalsContact C-N 3.29Å; R959-C961 PolarHBondContact O-N 3.34Å; C961-R964 WeakPolarHBondContact O-CB 3.21Å; C961-R964 PolarHBondContact O-N 2.74Å; C961-C965 PolarHBondContact O-N 3.24Å; C961-C965 PolarHBondContact O-SG 3.16Å |
| 962 | Y | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 179.7 | -63.3 | -33.4 | 0 | 0 | 0 | 113.3 | G946 H947 A958 R959 R964 C965 L966 L979 R982 L983 I986 | G946-Y962 VanDerWaalsContact C-CZ 3.49Å; G946-Y962 VanDerWaalsContact C-OH 3.24Å; G946-Y962 PolarHBondContact O-OH 3.13Å; H947-Y962 WeakPolarHBondContact CA-OH 3.45Å; H947-Y962 AromaticContact CE1-CE1 3.97Å; H947-Y962 PolarHBondContact CE1-OH 3.19Å; H947-Y962 PolarHBondContact N-OH 2.93Å; H947-Y962 AromaticContact ND1-CZ 3.93Å; H947-Y962 PolarHBondContact ND1-OH 3.08Å; A958-Y962 HydrophobicContact CB-CE2 4.23Å; A958-Y962 WeakPolarHBondContact O-CD2 3.18Å; A958-Y962 VanDerWaalsContact O-CG 3.24Å; A958-Y962 PolarHBondContact O-N 2.99Å; R959-Y962 PolarHBondContact O-N 3.24Å; R959-Y962 VanDerWaalsContact O-N 3.15Å; Y962-R964 VanDerWaalsContact C-N 3.28Å; Y962-R964 PolarHBondContact O-N 3.15Å; Y962-C965 WeakPolarHBondContact O-CB 3.37Å; Y962-C965 PolarHBondContact O-N 3.18Å; Y962-L966 WeakPolarHBondContact O-CG 3.43Å; Y962-L966 PolarHBondContact O-N 3.46Å; Y962-L979 HydrophobicContact CD1-CD1 3.81Å; Y962-L979 HydrophobicContact CD1-CD2 4.17Å; Y962-L979 HydrophobicContact CD1-CG 3.53Å; Y962-L979 HydrophobicContact CE1-CD1 4.28Å; Y962-L979 HydrophobicContact CE1-CG 3.91Å; Y962-L979 HydrophobicContact CG-CD2 4.28Å; Y962-L979 HydrophobicContact CG-CG 4.09Å; Y962-R982 HydrophobicContact CE2-CB 3.84Å; Y962-R982 VanDerWaalsContact OH-CD 3.24Å; Y962-R982 WeakPolarHBondContact OH-CD 3.08Å; Y962-L983 HydrophobicContact CD2-CB 4.06Å; Y962-L983 HydrophobicContact CD2-CD1 4.42Å; Y962-L983 HydrophobicContact CG-CB 4.44Å; Y962-I986 HydrophobicContact CD2-CD1 3.97Å; Y962-I986 HydrophobicContact CE2-CD1 3.92Å |
| 963 | E | 94.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 173.3 | -75.2 | 172.9 | 169.5 | 0 | 0 | 110.6 | R959 C965 L966 C967 Y987 | R959-E963 WeakPolarHBondContact CD-OE1 3.43Å; R959-E963 HydrophobicContact CG-CG 4.07Å; R959-E963 WeakPolarHBondContact CG-OE1 3.31Å; R959-E963 WeakPolarHBondContact O-CB 3.3Å; R959-E963 WeakPolarHBondContact O-CG 3.44Å; R959-E963 PolarHBondContact O-N 2.89Å; E963-C965 PolarHBondContact O-N 3.01Å; E963-L966 PolarHBondContact O-N 3.16Å; E963-L966 VanDerWaalsContact O-N 3.16Å; E963-C967 PolarHBondContact O-N 3.34Å; E963-C967 PolarHBondContact O-SG 3.41Å; E963-Y987 WeakPolarHBondContact CG-OH 3.34Å; E963-Y987 PolarHBondContact OE1-OH 3.07Å |
| 964 | R | 93.5 | Very high | 90.6 | Very high | 118 Ų | 118 | 56.7 Ų | 56.7 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 173.2 | -172.3 | 120.1 | -178.4 | 168.7 | -0.3 | 111.2 | W942 S960 C961 Y962 L966 C967 L968 | W942-R964 HydrophobicContact CD2-CB 4.31Å; W942-R964 HydrophobicContact CD2-CG 3.88Å; W942-R964 HydrophobicContact CE3-CB 4.25Å; W942-R964 HydrophobicContact CE3-CG 4.22Å; W942-R964 HydrophobicContact CG-CG 4.3Å; W942-R964 HydrophobicContact CH2-CG 4.45Å; W942-R964 HydrophobicContact CZ2-CG 4.11Å; W942-R964 HydrophobicContact CZ3-CG 4.49Å; S960-R964 WeakPolarHBondContact O-CB 3.35Å; S960-R964 PolarHBondContact O-N 3.25Å; C961-R964 WeakPolarHBondContact O-CB 3.21Å; C961-R964 PolarHBondContact O-N 2.74Å; Y962-R964 VanDerWaalsContact C-N 3.28Å; Y962-R964 PolarHBondContact O-N 3.15Å; R964-L966 PolarHBondContact O-N 3.23Å; R964-C967 PolarHBondContact O-N 2.95Å; R964-L968 HydrophobicContact CG-CD1 4.31Å; R964-L968 HydrophobicContact CG-CG 4.47Å; R964-L968 WeakPolarHBondContact O-CG 3.04Å; R964-L968 PolarHBondContact O-N 3.17Å |
| 965 | C | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.9 | -39.8 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | W942 A943 C961 Y962 E963 C967 L968 W971 L979 | W942-C965 WeakPolarHBondContact CB-SG 3.48Å; A943-C965 PolarHBondContact N-SG 3.09Å; C961-C965 PolarHBondContact O-N 3.24Å; C961-C965 PolarHBondContact O-SG 3.16Å; Y962-C965 WeakPolarHBondContact O-CB 3.37Å; Y962-C965 PolarHBondContact O-N 3.18Å; E963-C965 PolarHBondContact O-N 3.01Å; C965-C967 VanDerWaalsContact C-N 3.25Å; C965-C967 PolarHBondContact O-N 3.17Å; C965-L968 PolarHBondContact O-N 2.98Å; C965-W971 HydrophobicContact CB-CE3 4.32Å; C965-W971 HydrophobicContact CB-CZ3 4.31Å; C965-L979 HydrophobicContact CB-CD1 4.03Å |
| 966 | L | 89.8 | Confident | 90 | Very high | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.4 | -21.7 | -179.8 | -61.2 | 175.8 | 0 | 0 | 0 | 113.6 | Y962 E963 R964 W971 L980 L983 I999 | Y962-L966 WeakPolarHBondContact O-CG 3.43Å; Y962-L966 PolarHBondContact O-N 3.46Å; E963-L966 PolarHBondContact O-N 3.16Å; E963-L966 VanDerWaalsContact O-N 3.16Å; R964-L966 PolarHBondContact O-N 3.23Å; L966-W971 HydrophobicContact CD2-CD2 4.5Å; L966-W971 HydrophobicContact CD2-CE3 4.06Å; L966-W971 HydrophobicContact CD2-CH2 3.53Å; L966-W971 HydrophobicContact CD2-CZ2 4.03Å; L966-W971 HydrophobicContact CD2-CZ3 3.56Å; L966-L980 HydrophobicContact CD2-CD2 4.06Å; L966-L983 HydrophobicContact CD1-CD2 3.53Å; L966-L983 HydrophobicContact CG-CD2 4.42Å; L966-I999 HydrophobicContact CD1-CD1 3.68Å |
| 967 | C | 89.9 | Confident | 89.8 | Confident | 113 Ų | 113 | 51.5 Ų | 51.5 | 76% | 0.764 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -92.7 | -12.4 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | E963 R964 C965 | E963-C967 PolarHBondContact O-N 3.34Å; E963-C967 PolarHBondContact O-SG 3.41Å; R964-C967 PolarHBondContact O-N 2.95Å; C965-C967 VanDerWaalsContact C-N 3.25Å; C965-C967 PolarHBondContact O-N 3.17Å |
| 968 | L | 87.6 | Confident | 89.7 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -81.9 | 144.6 | -177.8 | -69.6 | 174.4 | 0 | 0 | 0 | 111.8 | E937 V939 W942 R964 C965 T970 W971 | E937-L968 HydrophobicContact CB-CD2 4.5Å; E937-L968 HydrophobicContact CG-CD2 4.46Å; V939-L968 HydrophobicContact CB-CD1 4.5Å; V939-L968 HydrophobicContact CG2-CB 3.41Å; V939-L968 VanDerWaalsContact CG2-CB 3.41Å; V939-L968 HydrophobicContact CG2-CD1 3.48Å; V939-L968 VanDerWaalsContact CG2-CD1 3.48Å; V939-L968 HydrophobicContact CG2-CG 4.06Å; W942-L968 HydrophobicContact CG-CD1 4.33Å; R964-L968 HydrophobicContact CG-CD1 4.31Å; R964-L968 HydrophobicContact CG-CG 4.47Å; R964-L968 WeakPolarHBondContact O-CG 3.04Å; R964-L968 PolarHBondContact O-N 3.17Å; C965-L968 PolarHBondContact O-N 2.98Å; L968-T970 VanDerWaalsContact C-N 3.29Å; L968-T970 PolarHBondContact O-N 3.3Å; L968-W971 VanDerWaalsContact O-CB 3.3Å; L968-W971 WeakPolarHBondContact O-CB 3.42Å; L968-W971 PolarHBondContact O-N 3.49Å |
| 969 | I | 80.2 | Confident | 89.5 | Confident | 154 Ų | 154 | 52.1 Ų | 52.1 | 79% | 0.79 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33 | -179 | -62.9 | 169.7 | 0 | 0 | 0 | 111.2 | W971 | I969-W971 PolarHBondContact O-N 2.92Š|
| 970 | T | 78.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 43% | 0.429 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.3 | 178.9 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | E937 V939 L968 | E937-T970 PolarHBondContact O-OG1 2.8Å; V939-T970 WeakPolarHBondContact CG2-OG1 3.42Å; L968-T970 VanDerWaalsContact C-N 3.29Å; L968-T970 PolarHBondContact O-N 3.3Å |
| 971 | W | 80.7 | Confident | 89.3 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 139.5 | 171.8 | 171.9 | -85.4 | 0 | 0 | 0 | 111.8 | C965 L966 L968 I969 P973 Q976 L979 L980 | C965-W971 HydrophobicContact CB-CE3 4.32Å; C965-W971 HydrophobicContact CB-CZ3 4.31Å; L966-W971 HydrophobicContact CD2-CD2 4.5Å; L966-W971 HydrophobicContact CD2-CE3 4.06Å; L966-W971 HydrophobicContact CD2-CH2 3.53Å; L966-W971 HydrophobicContact CD2-CZ2 4.03Å; L966-W971 HydrophobicContact CD2-CZ3 3.56Å; L968-W971 VanDerWaalsContact O-CB 3.3Å; L968-W971 WeakPolarHBondContact O-CB 3.42Å; L968-W971 PolarHBondContact O-N 3.49Å; I969-W971 PolarHBondContact O-N 2.92Å; W971-P973 VanDerWaalsContact CE3-CD 3.43Å; W971-P973 HydrophobicContact CE3-CG 4.5Å; W971-P973 VanDerWaalsContact CZ3-CD 3.41Å; W971-P973 HydrophobicContact CZ3-CG 4.1Å; W971-Q976 HydrophobicContact CH2-CG 3.74Å; W971-Q976 HydrophobicContact CZ2-CG 3.61Å; W971-L979 HydrophobicContact CH2-CD2 4.38Å; W971-L979 HydrophobicContact CZ3-CD1 4.4Å; W971-L979 HydrophobicContact CZ3-CD2 4.25Å; W971-L980 HydrophobicContact CH2-CD2 4.13Å; W971-L980 HydrophobicContact CH2-CG 4.33Å |
| 972 | P | 86.1 | Confident | 89.3 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | cis | -100 | 157 | 7.7 | 35.1 | -32.5 | 0 | 0 | 0 | 116.1 | Q976 | P972-Q976 HydrophobicContact CB-CB 4.21Å; P972-Q976 HydrophobicContact CB-CG 4.28Å; P972-Q976 VanDerWaalsContact CB-OE1 3.3Å |
| 973 | P | 87.9 | Confident | 89.2 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 159.8 | 168 | 28.1 | -30.3 | 0 | 0 | 0 | 112.2 | V939 A943 W971 D975 Q976 L979 | V939-P973 HydrophobicContact CG1-CB 3.72Å; V939-P973 HydrophobicContact CG1-CG 3.98Å; A943-P973 HydrophobicContact CB-CB 4Å; A943-P973 HydrophobicContact CB-CG 4.25Å; W971-P973 VanDerWaalsContact CE3-CD 3.43Å; W971-P973 HydrophobicContact CE3-CG 4.5Å; W971-P973 VanDerWaalsContact CZ3-CD 3.41Å; W971-P973 HydrophobicContact CZ3-CG 4.1Å; P973-D975 PolarHBondContact O-N 3.43Å; P973-D975 VanDerWaalsContact O-N 3.14Å; P973-Q976 PolarHBondContact O-N 3.33Å; P973-Q976 VanDerWaalsContact O-N 3.16Å; P973-L979 HydrophobicContact CG-CD1 3.86Å |
| 974 | K | 85.6 | Confident | 89.3 | Confident | 132 Ų | 132 | 45.7 Ų | 45.7 | 57% | 0.574 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -34.3 | 176.6 | -69 | 178 | 179.5 | 169 | 0 | 113.5 | E810 | E810-K974 IonicContact OE1-NZ 3.96Å; E810-K974 PolarHBondContact OE1-NZ 3.44Å |
| 975 | D | 84.5 | Confident | 89.3 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 32.4 | -177.4 | 62.7 | -12.9 | 0 | 0 | 0 | 114 | H947 P973 H977 I978 L979 | H947-D975 IonicContact CD2-OD2 2.64Å; H947-D975 PolarHBondContact CD2-OD2 3.4Å; H947-D975 VanDerWaalsContact CD2-OD2 3.28Å; H947-D975 IonicContact CE1-OD2 2.71Å; H947-D975 IonicContact NE2-OD1 2.59Å; H947-D975 IonicContact NE2-OD2 3.38Å; H947-D975 PolarHBondContact NE2-OD2 3.24Å; P973-D975 PolarHBondContact O-N 3.43Å; P973-D975 VanDerWaalsContact O-N 3.14Å; D975-H977 PolarHBondContact O-N 3Å; D975-I978 PolarHBondContact O-N 2.77Å; D975-L979 PolarHBondContact O-N 3.14Å |
| 976 | Q | 89.5 | Confident | 89.4 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -40.1 | -43.7 | 178.9 | 176.9 | -179 | -5.4 | 0 | 0 | 114.7 | W971 P972 P973 I978 L979 L980 | W971-Q976 HydrophobicContact CH2-CG 3.74Å; W971-Q976 HydrophobicContact CZ2-CG 3.61Å; P972-Q976 HydrophobicContact CB-CB 4.21Å; P972-Q976 HydrophobicContact CB-CG 4.28Å; P972-Q976 VanDerWaalsContact CB-OE1 3.3Å; P973-Q976 PolarHBondContact O-N 3.33Å; P973-Q976 VanDerWaalsContact O-N 3.16Å; Q976-I978 PolarHBondContact O-N 2.87Å; Q976-L979 PolarHBondContact O-N 3.29Å; Q976-L980 HydrophobicContact CG-CD1 3.81Å; Q976-L980 HydrophobicContact CG-CG 4.33Å; Q976-L980 VanDerWaalsContact O-CG 3.29Å; Q976-L980 WeakPolarHBondContact O-CG 3.21Å; Q976-L980 PolarHBondContact O-N 3.07Å |
| 977 | H | 90 | Very high | 89.8 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 12% | 0.116 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | -177.5 | -176.7 | 64.2 | 0 | 0 | 0 | 112.4 | E549 D975 L980 L981 S1007 | E549-H977 IonicContact OE2-CD2 3.79Å; E549-H977 IonicContact OE2-CE1 2.66Å; E549-H977 IonicContact OE2-NE2 3.69Å; E549-H977 PolarHBondContact OE2-NE2 3.36Å; D975-H977 PolarHBondContact O-N 3Å; H977-L980 PolarHBondContact O-N 3.37Å; H977-L981 WeakPolarHBondContact NE2-CD1 3.38Å; H977-L981 WeakPolarHBondContact O-CG 3.38Å; H977-L981 PolarHBondContact O-N 3.33Å; H977-L981 VanDerWaalsContact O-N 3.07Å; H977-S1007 PolarHBondContact CE1-O 3.46Å; H977-S1007 VanDerWaalsContact ND1-CB 3.34Å; H977-S1007 WeakPolarHBondContact ND1-CB 3.46Å |
| 978 | I | 90.2 | Very high | 90.1 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.9 | -41.6 | -178.1 | -65.4 | 175.9 | 0 | 0 | 0 | 110.1 | Q552 D975 Q976 L980 L981 R982 | Q552-I978 HydrophobicContact CG-CD1 4.21Å; Q552-I978 HydrophobicContact CG-CG2 3.97Å; D975-I978 PolarHBondContact O-N 2.77Å; Q976-I978 PolarHBondContact O-N 2.87Å; I978-L980 VanDerWaalsContact C-N 3.35Å; I978-L980 PolarHBondContact O-N 3.5Å; I978-L981 PolarHBondContact O-N 2.83Å; I978-R982 HydrophobicContact CG2-CG 4.44Å; I978-R982 WeakPolarHBondContact O-CG 3.4Å; I978-R982 PolarHBondContact O-N 2.93Å |
| 979 | L | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 175.5 | -175 | 158 | 0 | 0 | 0 | 110.9 | A943 Y962 C965 W971 P973 D975 Q976 L981 R982 L983 | A943-L979 HydrophobicContact CB-CD1 3.9Å; Y962-L979 HydrophobicContact CD1-CD1 3.81Å; Y962-L979 HydrophobicContact CD1-CD2 4.17Å; Y962-L979 HydrophobicContact CD1-CG 3.53Å; Y962-L979 HydrophobicContact CE1-CD1 4.28Å; Y962-L979 HydrophobicContact CE1-CG 3.91Å; Y962-L979 HydrophobicContact CG-CD2 4.28Å; Y962-L979 HydrophobicContact CG-CG 4.09Å; C965-L979 HydrophobicContact CB-CD1 4.03Å; W971-L979 HydrophobicContact CH2-CD2 4.38Å; W971-L979 HydrophobicContact CZ3-CD1 4.4Å; W971-L979 HydrophobicContact CZ3-CD2 4.25Å; P973-L979 HydrophobicContact CG-CD1 3.86Å; D975-L979 PolarHBondContact O-N 3.14Å; Q976-L979 PolarHBondContact O-N 3.29Å; L979-L981 PolarHBondContact O-N 2.9Å; L979-R982 PolarHBondContact O-N 3.46Å; L979-L983 WeakPolarHBondContact O-CB 3.5Å; L979-L983 PolarHBondContact O-N 3.44Å |
| 980 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | -178.9 | -67.4 | 172.7 | 0 | 0 | 0 | 112.5 | L966 W971 Q976 H977 I978 G984 I999 R1002 A1003 | L966-L980 HydrophobicContact CD2-CD2 4.06Å; W971-L980 HydrophobicContact CH2-CD2 4.13Å; W971-L980 HydrophobicContact CH2-CG 4.33Å; Q976-L980 HydrophobicContact CG-CD1 3.81Å; Q976-L980 HydrophobicContact CG-CG 4.33Å; Q976-L980 VanDerWaalsContact O-CG 3.29Å; Q976-L980 WeakPolarHBondContact O-CG 3.21Å; Q976-L980 PolarHBondContact O-N 3.07Å; H977-L980 PolarHBondContact O-N 3.37Å; I978-L980 VanDerWaalsContact C-N 3.35Å; I978-L980 PolarHBondContact O-N 3.5Å; L980-G984 PolarHBondContact O-N 3.39Å; L980-I999 HydrophobicContact CB-CG2 4.26Å; L980-I999 HydrophobicContact CD2-CG2 4.02Å; L980-I999 VanDerWaalsContact O-CG2 3.25Å; L980-I999 WeakPolarHBondContact O-CG2 3.18Å; L980-R1002 HydrophobicContact CD1-CG 4.25Å; L980-A1003 HydrophobicContact CB-CB 3.93Å; L980-A1003 HydrophobicContact CD1-CB 4.17Å |
| 981 | L | 93 | Very high | 91.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.6 | -76.8 | 179.1 | 0 | 0 | 0 | 111.9 | E549 H977 I978 L979 G984 S985 Y1000 A1011 T1012 | E549-L981 HydrophobicContact CG-CD1 3.89Å; H977-L981 WeakPolarHBondContact NE2-CD1 3.38Å; H977-L981 WeakPolarHBondContact O-CG 3.38Å; H977-L981 PolarHBondContact O-N 3.33Å; H977-L981 VanDerWaalsContact O-N 3.07Å; I978-L981 PolarHBondContact O-N 2.83Å; L979-L981 PolarHBondContact O-N 2.9Å; L981-G984 PolarHBondContact O-N 2.68Å; L981-S985 WeakPolarHBondContact O-CB 3.41Å; L981-S985 PolarHBondContact O-N 3.42Å; L981-Y1000 HydrophobicContact CD2-CD1 4.29Å; L981-Y1000 HydrophobicContact CD2-CE1 3.83Å; L981-A1011 HydrophobicContact CD2-CB 4.17Å; L981-T1012 HydrophobicContact CD2-CG2 3.65Å; L981-T1012 HydrophobicContact CG-CG2 4.46Å |
| 982 | R | 94 | Very high | 92.5 | Very high | 19 Ų | 19 | 39 Ų | 39 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -45.2 | 178.9 | -72 | 179 | 177.4 | -158 | 1.1 | 111.5 | H947 Y950 Y962 I978 L979 S985 I986 | H947-R982 WeakPolarHBondContact ND1-CD 3.49Å; H947-R982 PolarHBondContact ND1-NH1 2.55Å; H947-R982 PolarHBondContact O-NH1 3.18Å; H947-R982 VanDerWaalsContact O-NH1 3.11Å; Y950-R982 HydrophobicContact CD1-CG 4.22Å; Y950-R982 HydrophobicContact CD2-CB 4.26Å; Y950-R982 HydrophobicContact CD2-CG 4.42Å; Y950-R982 HydrophobicContact CE1-CG 4.04Å; Y950-R982 HydrophobicContact CE2-CB 4.21Å; Y950-R982 HydrophobicContact CE2-CG 4.26Å; Y950-R982 HydrophobicContact CG-CG 4.39Å; Y962-R982 HydrophobicContact CE2-CB 3.84Å; Y962-R982 VanDerWaalsContact OH-CD 3.24Å; Y962-R982 WeakPolarHBondContact OH-CD 3.08Å; I978-R982 HydrophobicContact CG2-CG 4.44Å; I978-R982 WeakPolarHBondContact O-CG 3.4Å; I978-R982 PolarHBondContact O-N 2.93Å; L979-R982 PolarHBondContact O-N 3.46Å; R982-S985 WeakPolarHBondContact O-CB 3.37Å; R982-S985 PolarHBondContact O-N 3.02Å; R982-I986 VanDerWaalsContact O-CG1 3.3Å; R982-I986 WeakPolarHBondContact O-CG1 3.46Å; R982-I986 PolarHBondContact O-N 3.19Å |
| 983 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.2 | 179.5 | 59.8 | 0 | 0 | 0 | 112 | R959 Y962 L966 L979 S985 I986 Y987 I999 | R959-L983 HydrophobicContact CG-CD1 4.18Å; Y962-L983 HydrophobicContact CD2-CB 4.06Å; Y962-L983 HydrophobicContact CD2-CD1 4.42Å; Y962-L983 HydrophobicContact CG-CB 4.44Å; L966-L983 HydrophobicContact CD1-CD2 3.53Å; L966-L983 HydrophobicContact CG-CD2 4.42Å; L979-L983 WeakPolarHBondContact O-CB 3.5Å; L979-L983 PolarHBondContact O-N 3.44Å; L983-S985 VanDerWaalsContact C-N 3.29Å; L983-S985 PolarHBondContact O-N 3.12Å; L983-I986 PolarHBondContact O-N 2.68Å; L983-Y987 HydrophobicContact CD1-CD2 4.09Å; L983-Y987 HydrophobicContact CD1-CE2 3.63Å; L983-Y987 HydrophobicContact CD2-CE2 4.15Å; L983-Y987 HydrophobicContact CG-CD2 4.05Å; L983-Y987 HydrophobicContact CG-CE2 3.71Å; L983-Y987 WeakPolarHBondContact O-CD2 3.45Å; L983-Y987 PolarHBondContact O-N 2.88Å; L983-I999 HydrophobicContact CB-CG2 4.27Å; L983-I999 HydrophobicContact CD2-CD1 3.85Å; L983-I999 HydrophobicContact CD2-CG1 4.03Å; L983-I999 HydrophobicContact CD2-CG2 4.28Å; L983-I999 HydrophobicContact CG-CG1 4.27Å; L983-I999 HydrophobicContact CG-CG2 4.25Å |
| 984 | G | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L980 L981 Y987 L988 Y1000 | L980-G984 PolarHBondContact O-N 3.39Å; L981-G984 PolarHBondContact O-N 2.68Å; G984-Y987 PolarHBondContact O-N 3.35Å; G984-L988 WeakPolarHBondContact O-CG 3.36Å; G984-L988 PolarHBondContact O-N 3.01Å; G984-Y1000 VanDerWaalsContact C-CE2 3.41Å; G984-Y1000 WeakPolarHBondContact O-CE2 3.3Å |
| 985 | S | 94.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | L981 R982 L983 Y987 L988 Q989 Y1000 | L981-S985 WeakPolarHBondContact O-CB 3.41Å; L981-S985 PolarHBondContact O-N 3.42Å; R982-S985 WeakPolarHBondContact O-CB 3.37Å; R982-S985 PolarHBondContact O-N 3.02Å; L983-S985 VanDerWaalsContact C-N 3.29Å; L983-S985 PolarHBondContact O-N 3.12Å; S985-Y987 VanDerWaalsContact C-N 3.34Å; S985-Y987 PolarHBondContact O-N 3.07Å; S985-L988 PolarHBondContact O-N 3.42Å; S985-Q989 WeakPolarHBondContact O-CG 3.25Å; S985-Q989 PolarHBondContact O-N 2.97Å; S985-Y1000 WeakPolarHBondContact CA-OH 3.32Å; S985-Y1000 PolarHBondContact N-OH 2.95Å; S985-Y1000 VanDerWaalsContact N-OH 3.12Å |
| 986 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.1 | -64.8 | 161.1 | 0 | 0 | 0 | 110.5 | Y950 L955 A958 R959 Y962 R982 L983 L988 Q989 E990 | Y950-I986 HydrophobicContact CD2-CD1 4.04Å; Y950-I986 HydrophobicContact CD2-CG1 4.2Å; Y950-I986 HydrophobicContact CE2-CD1 4.45Å; Y950-I986 HydrophobicContact CE2-CG1 4.15Å; L955-I986 HydrophobicContact CB-CG1 4.5Å; L955-I986 HydrophobicContact CB-CG2 4.37Å; L955-I986 HydrophobicContact CD2-CG1 4.24Å; A958-I986 HydrophobicContact CB-CD1 4.05Å; R959-I986 HydrophobicContact CB-CD1 4.4Å; R959-I986 HydrophobicContact CB-CG2 3.99Å; Y962-I986 HydrophobicContact CD2-CD1 3.97Å; Y962-I986 HydrophobicContact CE2-CD1 3.92Å; R982-I986 VanDerWaalsContact O-CG1 3.3Å; R982-I986 WeakPolarHBondContact O-CG1 3.46Å; R982-I986 PolarHBondContact O-N 3.19Å; L983-I986 PolarHBondContact O-N 2.68Å; I986-L988 VanDerWaalsContact C-N 3.34Å; I986-L988 PolarHBondContact O-N 3.08Å; I986-Q989 PolarHBondContact O-N 2.92Å; I986-E990 HydrophobicContact CG2-CG 4.41Å; I986-E990 WeakPolarHBondContact O-CG 3.37Å; I986-E990 PolarHBondContact O-N 3.16Å |
| 987 | Y | 97.7 | Very high | 94.9 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.4 | -75 | -44.8 | 0 | 0 | 0 | 113.4 | R959 E963 L983 G984 S985 E990 L991 K992 E995 I999 | R959-Y987 HydrophobicContact CG-CE1 4.38Å; E963-Y987 WeakPolarHBondContact CG-OH 3.34Å; E963-Y987 PolarHBondContact OE1-OH 3.07Å; L983-Y987 HydrophobicContact CD1-CD2 4.09Å; L983-Y987 HydrophobicContact CD1-CE2 3.63Å; L983-Y987 HydrophobicContact CD2-CE2 4.15Å; L983-Y987 HydrophobicContact CG-CD2 4.05Å; L983-Y987 HydrophobicContact CG-CE2 3.71Å; L983-Y987 WeakPolarHBondContact O-CD2 3.45Å; L983-Y987 PolarHBondContact O-N 2.88Å; G984-Y987 PolarHBondContact O-N 3.35Å; S985-Y987 VanDerWaalsContact C-N 3.34Å; S985-Y987 PolarHBondContact O-N 3.07Å; Y987-E990 PolarHBondContact O-N 3.47Å; Y987-L991 PolarHBondContact O-N 3.12Å; Y987-K992 HydrophobicContact CD1-CB 3.99Å; Y987-K992 HydrophobicContact CD1-CD 3.81Å; Y987-K992 HydrophobicContact CE1-CD 4.09Å; Y987-K992 HydrophobicContact CG-CB 4.48Å; Y987-K992 PolarHBondContact O-N 2.78Å; Y987-E995 HydrophobicContact CD1-CB 4.11Å; Y987-E995 HydrophobicContact CD2-CB 3.92Å; Y987-E995 HydrophobicContact CE1-CB 4.19Å; Y987-E995 HydrophobicContact CE2-CB 3.98Å; Y987-E995 HydrophobicContact CG-CB 3.99Å; Y987-I999 HydrophobicContact CD2-CG1 3.9Å; Y987-I999 HydrophobicContact CE2-CD1 4.49Å; Y987-I999 HydrophobicContact CE2-CG1 3.7Å |
| 988 | L | 95.2 | Very high | 95 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 172.6 | -76.5 | 178.4 | 0 | 0 | 0 | 111.8 | G984 S985 I986 E990 L991 Y993 A996 Y1000 K1018 A1019 | G984-L988 WeakPolarHBondContact O-CG 3.36Å; G984-L988 PolarHBondContact O-N 3.01Å; S985-L988 PolarHBondContact O-N 3.42Å; I986-L988 VanDerWaalsContact C-N 3.34Å; I986-L988 PolarHBondContact O-N 3.08Å; L988-E990 VanDerWaalsContact C-N 3.32Å; L988-E990 PolarHBondContact O-N 3.44Å; L988-L991 PolarHBondContact O-N 3.28Å; L988-Y993 HydrophobicContact CD2-CD1 4.06Å; L988-A996 HydrophobicContact CD2-CB 3.81Å; L988-A996 HydrophobicContact CG-CB 3.91Å; L988-Y1000 HydrophobicContact CD1-CE2 3.59Å; L988-Y1000 HydrophobicContact CG-CE2 3.99Å; L988-K1018 HydrophobicContact CD1-CB 4.01Å; L988-K1018 HydrophobicContact CD1-CD 4.01Å; L988-K1018 HydrophobicContact CD2-CB 4.24Å; L988-A1019 HydrophobicContact CD2-CB 4.08Å |
| 989 | Q | 93.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 177.8 | -71.9 | 176.2 | -19.2 | 0 | 0 | 112.2 | S985 I986 L991 | S985-Q989 WeakPolarHBondContact O-CG 3.25Å; S985-Q989 PolarHBondContact O-N 2.97Å; I986-Q989 PolarHBondContact O-N 2.92Å; Q989-L991 PolarHBondContact O-N 3.1Å |
| 990 | E | 94.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.5 | 175.1 | -70.7 | -176.4 | -172.5 | 0 | 0 | 114.3 | R959 I986 Y987 L988 K992 | R959-E990 IonicContact CZ-OE1 2.67Å; R959-E990 IonicContact CZ-OE2 3.46Å; R959-E990 IonicContact NE-OE1 2.78Å; R959-E990 PolarHBondContact NE-OE1 2.72Å; R959-E990 IonicContact NE-OE2 3.91Å; R959-E990 PolarHBondContact NE-OE2 3.02Å; R959-E990 IonicContact NH1-OE2 3.55Å; R959-E990 VanDerWaalsContact NH2-CD 3.34Å; R959-E990 IonicContact NH2-OE1 2.71Å; R959-E990 PolarHBondContact NH2-OE1 3.18Å; R959-E990 IonicContact NH2-OE2 3.73Å; R959-E990 PolarHBondContact NH2-OE2 3.3Å; I986-E990 HydrophobicContact CG2-CG 4.41Å; I986-E990 WeakPolarHBondContact O-CG 3.37Å; I986-E990 PolarHBondContact O-N 3.16Å; Y987-E990 PolarHBondContact O-N 3.47Å; L988-E990 VanDerWaalsContact C-N 3.32Å; L988-E990 PolarHBondContact O-N 3.44Å; E990-K992 HydrophobicContact CB-CD 4.37Å; E990-K992 HydrophobicContact CB-CG 4.35Å; E990-K992 PolarHBondContact O-N 3.36Å; E990-K992 WeakPolarHBondContact OE2-CE 3.17Å; E990-K992 IonicContact OE2-NZ 3.14Å; E990-K992 PolarHBondContact OE2-NZ 3.46Å |
| 991 | L | 95.7 | Very high | 95.3 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 60% | 0.602 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 19.9 | -178.3 | -41.5 | 174.7 | 0 | 0 | 0 | 113.7 | Y987 L988 Q989 Y993 | Y987-L991 PolarHBondContact O-N 3.12Å; L988-L991 PolarHBondContact O-N 3.28Å; Q989-L991 PolarHBondContact O-N 3.1Å; L991-Y993 HydrophobicContact CB-CE1 4.45Å; L991-Y993 HydrophobicContact CB-CE2 4.2Å; L991-Y993 HydrophobicContact CD2-CE1 4.44Å; L991-Y993 VanDerWaalsContact CD2-OH 3.24Å; L991-Y993 WeakPolarHBondContact CD2-OH 3.35Å; L991-Y993 WeakPolarHBondContact O-CD2 3.35Å; L991-Y993 PolarHBondContact O-N 2.67Å |
| 992 | K | 95.6 | Very high | 95.2 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | trans | -88.6 | 70.3 | 175.4 | -72 | 177.2 | -176.6 | 158.3 | 0 | 110.4 | Y987 E990 K994 E995 A996 | Y987-K992 HydrophobicContact CD1-CB 3.99Å; Y987-K992 HydrophobicContact CD1-CD 3.81Å; Y987-K992 HydrophobicContact CE1-CD 4.09Å; Y987-K992 HydrophobicContact CG-CB 4.48Å; Y987-K992 PolarHBondContact O-N 2.78Å; E990-K992 HydrophobicContact CB-CD 4.37Å; E990-K992 HydrophobicContact CB-CG 4.35Å; E990-K992 PolarHBondContact O-N 3.36Å; E990-K992 WeakPolarHBondContact OE2-CE 3.17Å; E990-K992 IonicContact OE2-NZ 3.14Å; E990-K992 PolarHBondContact OE2-NZ 3.46Å; K992-K994 PolarHBondContact O-N 3.2Å; K992-E995 HydrophobicContact CB-CB 4.39Å; K992-E995 WeakPolarHBondContact CB-OE2 3.17Å; K992-A996 WeakPolarHBondContact O-CB 3.49Å; K992-A996 PolarHBondContact O-N 3.21Å | ||
| 993 | Y | 97.2 | Very high | 95 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -29.1 | -168.3 | -51.9 | -60.3 | 0 | 0 | 0 | 114.5 | L988 L991 K997 R1022 | L988-Y993 HydrophobicContact CD2-CD1 4.06Å; L991-Y993 HydrophobicContact CB-CE1 4.45Å; L991-Y993 HydrophobicContact CB-CE2 4.2Å; L991-Y993 HydrophobicContact CD2-CE1 4.44Å; L991-Y993 VanDerWaalsContact CD2-OH 3.24Å; L991-Y993 WeakPolarHBondContact CD2-OH 3.35Å; L991-Y993 WeakPolarHBondContact O-CD2 3.35Å; L991-Y993 PolarHBondContact O-N 2.67Å; Y993-K997 WeakPolarHBondContact O-CB 3.4Å; Y993-K997 PolarHBondContact O-N 2.96Å; Y993-R1022 HydrophobicContact CD1-CB 3.48Å; Y993-R1022 VanDerWaalsContact CD1-CB 3.48Å; Y993-R1022 HydrophobicContact CD1-CG 3.9Å; Y993-R1022 HydrophobicContact CD2-CB 3.76Å; Y993-R1022 HydrophobicContact CE1-CB 3.51Å; Y993-R1022 HydrophobicContact CE1-CG 3.54Å; Y993-R1022 HydrophobicContact CE2-CB 3.78Å; Y993-R1022 HydrophobicContact CE2-CG 4.47Å; Y993-R1022 HydrophobicContact CG-CB 3.6Å; Y993-R1022 HydrophobicContact CG-CG 4.5Å |
| 994 | K | 95.9 | Very high | 94.6 | Very high | 143 Ų | 143 | 50.2 Ų | 50.2 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69 | -47.6 | 179 | -66.4 | -173.2 | 178.3 | 179.2 | 0 | 110.7 | K992 A996 K997 D998 L1023 | K992-K994 PolarHBondContact O-N 3.2Å; K994-A996 VanDerWaalsContact C-N 3.35Å; K994-K997 WeakPolarHBondContact O-CB 2.93Å; K994-K997 PolarHBondContact O-N 3.37Å; K994-D998 PolarHBondContact O-N 3.24Å; K994-L1023 HydrophobicContact CG-CD1 4.2Å; K994-L1023 HydrophobicContact CG-CD2 3.68Å |
| 995 | E | 95.5 | Very high | 94 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.5 | -61.3 | 82.1 | 171.5 | 0 | 0 | 110.4 | Y987 K992 K997 D998 I999 | Y987-E995 HydrophobicContact CD1-CB 4.11Å; Y987-E995 HydrophobicContact CD2-CB 3.92Å; Y987-E995 HydrophobicContact CE1-CB 4.19Å; Y987-E995 HydrophobicContact CE2-CB 3.98Å; Y987-E995 HydrophobicContact CG-CB 3.99Å; K992-E995 HydrophobicContact CB-CB 4.39Å; K992-E995 WeakPolarHBondContact CB-OE2 3.17Å; E995-K997 PolarHBondContact O-N 3.23Å; E995-D998 PolarHBondContact O-N 3.09Å; E995-I999 WeakPolarHBondContact O-CG1 3.49Å; E995-I999 PolarHBondContact O-N 3.48Å |
| 996 | A | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L988 K992 K994 D998 I999 Y1000 A1019 | L988-A996 HydrophobicContact CD2-CB 3.81Å; L988-A996 HydrophobicContact CG-CB 3.91Å; K992-A996 WeakPolarHBondContact O-CB 3.49Å; K992-A996 PolarHBondContact O-N 3.21Å; K994-A996 VanDerWaalsContact C-N 3.35Å; A996-D998 PolarHBondContact O-N 3.23Å; A996-I999 PolarHBondContact O-N 3.28Å; A996-Y1000 HydrophobicContact CB-CD2 4.46Å; A996-Y1000 WeakPolarHBondContact O-CB 3.36Å; A996-Y1000 WeakPolarHBondContact O-CD2 3.11Å; A996-Y1000 PolarHBondContact O-N 3.27Å; A996-A1019 HydrophobicContact CB-CB 4.2Å |
| 997 | K | 96.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 177.7 | 179.6 | -177.9 | 173.3 | -178.5 | 0 | 111.2 | Y993 K994 E995 Y1000 L1001 A1019 L1023 E1025 | Y993-K997 WeakPolarHBondContact O-CB 3.4Å; Y993-K997 PolarHBondContact O-N 2.96Å; K994-K997 WeakPolarHBondContact O-CB 2.93Å; K994-K997 PolarHBondContact O-N 3.37Å; E995-K997 PolarHBondContact O-N 3.23Å; K997-Y1000 PolarHBondContact O-N 3.3Å; K997-L1001 HydrophobicContact CG-CD1 3.89Å; K997-L1001 HydrophobicContact CG-CG 4.41Å; K997-L1001 WeakPolarHBondContact O-CB 3.23Å; K997-L1001 VanDerWaalsContact O-CG 3.26Å; K997-L1001 WeakPolarHBondContact O-CG 3.29Å; K997-L1001 PolarHBondContact O-N 3.07Å; K997-A1019 HydrophobicContact CB-CB 3.84Å; K997-L1023 HydrophobicContact CD-CD1 4.08Å; K997-E1025 IonicContact NZ-OE1 2.95Å; K997-E1025 PolarHBondContact NZ-OE1 2.82Å; K997-E1025 IonicContact NZ-OE2 3.71Å; K997-E1025 PolarHBondContact NZ-OE2 3.46Å |
| 998 | D | 93.3 | Very high | 92 | Very high | 107 Ų | 107 | 64.1 Ų | 64.1 | 57% | 0.572 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | -178 | -70 | -18.1 | 0 | 0 | 0 | 112.3 | K994 E995 A996 L1001 R1002 | K994-D998 PolarHBondContact O-N 3.24Å; E995-D998 PolarHBondContact O-N 3.09Å; A996-D998 PolarHBondContact O-N 3.23Å; D998-L1001 PolarHBondContact O-N 3.39Å; D998-R1002 PolarHBondContact O-N 3.02Å |
| 999 | I | 95.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.3 | -65.7 | -53.9 | 0 | 0 | 0 | 111.5 | L966 L980 L983 Y987 E995 A996 L1001 R1002 A1003 | L966-I999 HydrophobicContact CD1-CD1 3.68Å; L980-I999 HydrophobicContact CB-CG2 4.26Å; L980-I999 HydrophobicContact CD2-CG2 4.02Å; L980-I999 VanDerWaalsContact O-CG2 3.25Å; L980-I999 WeakPolarHBondContact O-CG2 3.18Å; L983-I999 HydrophobicContact CB-CG2 4.27Å; L983-I999 HydrophobicContact CD2-CD1 3.85Å; L983-I999 HydrophobicContact CD2-CG1 4.03Å; L983-I999 HydrophobicContact CD2-CG2 4.28Å; L983-I999 HydrophobicContact CG-CG1 4.27Å; L983-I999 HydrophobicContact CG-CG2 4.25Å; Y987-I999 HydrophobicContact CD2-CG1 3.9Å; Y987-I999 HydrophobicContact CE2-CD1 4.49Å; Y987-I999 HydrophobicContact CE2-CG1 3.7Å; E995-I999 WeakPolarHBondContact O-CG1 3.49Å; E995-I999 PolarHBondContact O-N 3.48Å; A996-I999 PolarHBondContact O-N 3.28Å; I999-L1001 VanDerWaalsContact C-N 3.35Å; I999-L1001 PolarHBondContact O-N 2.76Å; I999-R1002 WeakPolarHBondContact O-CB 3.18Å; I999-R1002 PolarHBondContact O-N 2.85Å; I999-A1003 PolarHBondContact O-N 3.09Å |
| 1000 | Y | 96.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 177.4 | -79.8 | -63.5 | 0 | 0 | 0 | 112.4 | L981 G984 S985 L988 A996 K997 R1002 A1003 C1004 G1015 | L981-Y1000 HydrophobicContact CD2-CD1 4.29Å; L981-Y1000 HydrophobicContact CD2-CE1 3.83Å; G984-Y1000 VanDerWaalsContact C-CE2 3.41Å; G984-Y1000 WeakPolarHBondContact O-CE2 3.3Å; S985-Y1000 WeakPolarHBondContact CA-OH 3.32Å; S985-Y1000 PolarHBondContact N-OH 2.95Å; S985-Y1000 VanDerWaalsContact N-OH 3.12Å; L988-Y1000 HydrophobicContact CD1-CE2 3.59Å; L988-Y1000 HydrophobicContact CG-CE2 3.99Å; A996-Y1000 HydrophobicContact CB-CD2 4.46Å; A996-Y1000 WeakPolarHBondContact O-CB 3.36Å; A996-Y1000 WeakPolarHBondContact O-CD2 3.11Å; A996-Y1000 PolarHBondContact O-N 3.27Å; K997-Y1000 PolarHBondContact O-N 3.3Å; Y1000-R1002 VanDerWaalsContact C-N 3.35Å; Y1000-A1003 CarbonylContact O-C 3.54Å; Y1000-A1003 WeakPolarHBondContact O-CB 3.31Å; Y1000-A1003 PolarHBondContact O-N 3.45Å; Y1000-C1004 PolarHBondContact O-N 2.98Å; Y1000-C1004 PolarHBondContact O-SG 2.75Å; Y1000-G1015 VanDerWaalsContact CD2-C 3.47Å |
| 1001 | L | 92.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 173.1 | -75.3 | 173.2 | 0 | 0 | 0 | 111.8 | K997 D998 I999 A1003 C1004 K1005 V1016 | K997-L1001 HydrophobicContact CG-CD1 3.89Å; K997-L1001 HydrophobicContact CG-CG 4.41Å; K997-L1001 WeakPolarHBondContact O-CB 3.23Å; K997-L1001 VanDerWaalsContact O-CG 3.26Å; K997-L1001 WeakPolarHBondContact O-CG 3.29Å; K997-L1001 PolarHBondContact O-N 3.07Å; D998-L1001 PolarHBondContact O-N 3.39Å; I999-L1001 VanDerWaalsContact C-N 3.35Å; I999-L1001 PolarHBondContact O-N 2.76Å; L1001-A1003 VanDerWaalsContact C-N 3.3Å; L1001-A1003 PolarHBondContact O-N 2.83Å; L1001-C1004 PolarHBondContact O-N 2.92Å; L1001-K1005 WeakPolarHBondContact O-CB 3.5Å; L1001-K1005 PolarHBondContact O-N 2.77Å; L1001-V1016 HydrophobicContact CD2-CG1 4.04Å; L1001-V1016 HydrophobicContact CD2-CG2 3.91Å; L1001-V1016 HydrophobicContact CG-CG1 4.39Å; L1001-V1016 HydrophobicContact CG-CG2 4.06Å |
| 1002 | R | 90.3 | Very high | 91 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 171 | -171.9 | 175.8 | -179.1 | 167.6 | -2 | 111.3 | L980 D998 I999 Y1000 N1006 | L980-R1002 HydrophobicContact CD1-CG 4.25Å; D998-R1002 PolarHBondContact O-N 3.02Å; I999-R1002 WeakPolarHBondContact O-CB 3.18Å; I999-R1002 PolarHBondContact O-N 2.85Å; Y1000-R1002 VanDerWaalsContact C-N 3.35Å; R1002-N1006 PolarHBondContact O-N 2.79Å |
| 1003 | A | 89.6 | Confident | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L980 I999 Y1000 L1001 K1005 N1006 S1007 T1012 | L980-A1003 HydrophobicContact CB-CB 3.93Å; L980-A1003 HydrophobicContact CD1-CB 4.17Å; I999-A1003 PolarHBondContact O-N 3.09Å; Y1000-A1003 CarbonylContact O-C 3.54Å; Y1000-A1003 WeakPolarHBondContact O-CB 3.31Å; Y1000-A1003 PolarHBondContact O-N 3.45Å; L1001-A1003 VanDerWaalsContact C-N 3.3Å; L1001-A1003 PolarHBondContact O-N 2.83Å; A1003-K1005 VanDerWaalsContact C-N 3.29Å; A1003-K1005 PolarHBondContact O-N 3.25Å; A1003-N1006 PolarHBondContact O-N 2.8Å; A1003-N1006 VanDerWaalsContact O-N 3.13Å; A1003-S1007 CarbonylContact O-C 3.57Å; A1003-S1007 PolarHBondContact O-N 3.32Å; A1003-T1012 HydrophobicContact CB-CG2 3.72Å |
| 1004 | C | 87.6 | Confident | 90.8 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.081 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -39.4 | 176.4 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | Y1000 L1001 N1006 P1008 T1012 W1013 | Y1000-C1004 PolarHBondContact O-N 2.98Å; Y1000-C1004 PolarHBondContact O-SG 2.75Å; L1001-C1004 PolarHBondContact O-N 2.92Å; C1004-N1006 VanDerWaalsContact C-N 3.31Å; C1004-N1006 PolarHBondContact O-N 2.82Å; C1004-P1008 WeakPolarHBondContact O-CD 3.09Å; C1004-T1012 WeakPolarHBondContact SG-CB 3.48Å; C1004-T1012 PolarHBondContact SG-OG1 2.62Å; C1004-W1013 HydrophobicContact CB-CZ2 4.29Å |
| 1005 | K | 82.7 | Confident | 90.8 | Very high | 193 Ų | 193 | 42 Ų | 42 | 84% | 0.839 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.4 | -36 | 177.8 | -173 | 178.5 | -179.5 | -178.9 | 0 | 112.3 | L1001 A1003 | L1001-K1005 WeakPolarHBondContact O-CB 3.5Å; L1001-K1005 PolarHBondContact O-N 2.77Å; A1003-K1005 VanDerWaalsContact C-N 3.29Å; A1003-K1005 PolarHBondContact O-N 3.25Å |
| 1006 | N | 79.5 | Confident | 90.8 | Very high | 80 Ų | 80 | 38.2 Ų | 38.2 | 43% | 0.428 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -87.3 | -42.7 | -178.4 | -168.2 | 59.3 | 0 | 0 | 0 | 112.9 | R1002 A1003 C1004 | R1002-N1006 PolarHBondContact O-N 2.79Å; A1003-N1006 PolarHBondContact O-N 2.8Å; A1003-N1006 VanDerWaalsContact O-N 3.13Å; C1004-N1006 VanDerWaalsContact C-N 3.31Å; C1004-N1006 PolarHBondContact O-N 2.82Å |
| 1007 | S | 82.1 | Confident | 90.8 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -156.3 | 85.2 | -170.3 | -77.5 | 0 | 0 | 0 | 0 | 110.4 | H977 A1003 T1009 | H977-S1007 PolarHBondContact CE1-O 3.46Å; H977-S1007 VanDerWaalsContact ND1-CB 3.34Å; H977-S1007 WeakPolarHBondContact ND1-CB 3.46Å; A1003-S1007 CarbonylContact O-C 3.57Å; A1003-S1007 PolarHBondContact O-N 3.32Å; S1007-T1009 PolarHBondContact O-N 3Å |
| 1008 | P | 86 | Confident | 90.8 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 34% | 0.338 | 19% | 0.191 | S | C | . | . | trans | -70.9 | 127.7 | -179.2 | 27.7 | -32.7 | 0 | 0 | 0 | 111.2 | R545 C1004 | R545-P1008 PolarHBondContact NH2-O 3.07Å; R545-P1008 VanDerWaalsContact NH2-O 3.16Å; C1004-P1008 WeakPolarHBondContact O-CD 3.09Å | ||
| 1009 | T | 87.3 | Confident | 91 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -137.6 | 170.2 | 175.2 | 75.1 | 0 | 0 | 0 | 0 | 110.7 | R545 Y546 E549 S1007 A1011 T1012 W1013 | R545-T1009 HydrophobicContact CG-CG2 4.41Å; Y546-T1009 HydrophobicContact CD1-CG2 3.94Å; Y546-T1009 HydrophobicContact CE1-CG2 3.76Å; E549-T1009 VanDerWaalsContact CD-OG1 3.31Å; E549-T1009 PolarHBondContact OE1-OG1 3.36Å; E549-T1009 WeakPolarHBondContact OE2-CB 3.48Å; E549-T1009 WeakPolarHBondContact OE2-CG2 3.44Å; E549-T1009 PolarHBondContact OE2-OG1 2.76Å; S1007-T1009 PolarHBondContact O-N 3Å; T1009-A1011 VanDerWaalsContact C-N 3.26Å; T1009-A1011 PolarHBondContact O-N 3.04Å; T1009-A1011 PolarHBondContact OG1-N 2.58Å; T1009-T1012 PolarHBondContact N-OG1 3.12Å; T1009-T1012 PolarHBondContact O-N 2.82Å; T1009-T1012 PolarHBondContact O-OG1 3.45Å; T1009-T1012 PolarHBondContact OG1-N 3.46Å; T1009-W1013 VanDerWaalsContact O-CD1 3.31Å; T1009-W1013 PolarHBondContact O-N 3.33Å | ||
| 1010 | C | 87.7 | Confident | 91 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 175 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | L1014 I1039 N1040 N1043 | C1010-L1014 WeakPolarHBondContact O-CB 3.43Å; C1010-L1014 PolarHBondContact O-N 3.02Å; C1010-I1039 HydrophobicContact CB-CG2 4.09Å; C1010-N1040 HydrophobicContact CB-CB 3.74Å; C1010-N1043 PolarHBondContact SG-ND2 3.49Å; C1010-N1043 VanDerWaalsContact SG-ND2 3.41Å |
| 1011 | A | 89.9 | Confident | 91.1 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E549 L981 T1009 G1015 | E549-A1011 WeakPolarHBondContact OE1-CB 3.27Å; L981-A1011 HydrophobicContact CD2-CB 4.17Å; T1009-A1011 VanDerWaalsContact C-N 3.26Å; T1009-A1011 PolarHBondContact O-N 3.04Å; T1009-A1011 PolarHBondContact OG1-N 2.58Å; A1011-G1015 PolarHBondContact O-N 2.9Å |
| 1012 | T | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -48 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | L981 A1003 C1004 T1009 G1015 V1016 | L981-T1012 HydrophobicContact CD2-CG2 3.65Å; L981-T1012 HydrophobicContact CG-CG2 4.46Å; A1003-T1012 HydrophobicContact CB-CG2 3.72Å; C1004-T1012 WeakPolarHBondContact SG-CB 3.48Å; C1004-T1012 PolarHBondContact SG-OG1 2.62Å; T1009-T1012 PolarHBondContact N-OG1 3.12Å; T1009-T1012 PolarHBondContact O-N 2.82Å; T1009-T1012 PolarHBondContact O-OG1 3.45Å; T1009-T1012 PolarHBondContact OG1-N 3.46Å; T1012-G1015 PolarHBondContact O-N 3.21Å; T1012-V1016 WeakPolarHBondContact O-CG2 3.39Å; T1012-V1016 PolarHBondContact O-N 3.46Å |
| 1013 | W | 94.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 179 | -77.4 | 116.1 | 0 | 0 | 0 | 112.8 | C1004 T1009 G1015 V1016 G1017 A1032 E1035 A1036 | C1004-W1013 HydrophobicContact CB-CZ2 4.29Å; T1009-W1013 VanDerWaalsContact O-CD1 3.31Å; T1009-W1013 PolarHBondContact O-N 3.33Å; W1013-G1015 VanDerWaalsContact C-N 3.29Å; W1013-G1015 PolarHBondContact O-N 3.05Å; W1013-V1016 PolarHBondContact O-N 3.42Å; W1013-G1017 PolarHBondContact O-N 3.44Å; W1013-A1032 HydrophobicContact CE3-CB 4.02Å; W1013-E1035 HydrophobicContact CD2-CB 3.93Å; W1013-E1035 HydrophobicContact CE3-CB 4.35Å; W1013-E1035 HydrophobicContact CG-CB 4.08Å; W1013-A1036 HydrophobicContact CB-CB 3.73Å |
| 1014 | L | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 170.5 | 176.9 | 60.1 | 0 | 0 | 0 | 110.7 | C1010 G1017 K1018 L1033 E1045 V1046 Y1049 | C1010-L1014 WeakPolarHBondContact O-CB 3.43Å; C1010-L1014 PolarHBondContact O-N 3.02Å; L1014-G1017 PolarHBondContact O-N 3.04Å; L1014-K1018 HydrophobicContact CD1-CG 4.2Å; L1014-K1018 HydrophobicContact CG-CD 4.36Å; L1014-K1018 HydrophobicContact CG-CG 4.43Å; L1014-K1018 WeakPolarHBondContact O-CB 3.23Å; L1014-K1018 VanDerWaalsContact O-CG 3.26Å; L1014-K1018 WeakPolarHBondContact O-CG 3.4Å; L1014-K1018 PolarHBondContact O-N 3.01Å; L1014-L1033 HydrophobicContact CD1-CD2 3.75Å; L1014-E1045 HydrophobicContact CD1-CB 4.32Å; L1014-E1045 HydrophobicContact CD2-CB 3.98Å; L1014-V1046 HydrophobicContact CB-CG2 4.44Å; L1014-V1046 HydrophobicContact CD1-CG2 4.01Å; L1014-V1046 HydrophobicContact CD2-CG2 4.4Å; L1014-Y1049 HydrophobicContact CD1-CD2 4.14Å |
| 1015 | G | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1000 A1011 T1012 W1013 K1018 A1019 | Y1000-G1015 VanDerWaalsContact CD2-C 3.47Å; A1011-G1015 PolarHBondContact O-N 2.9Å; T1012-G1015 PolarHBondContact O-N 3.21Å; W1013-G1015 VanDerWaalsContact C-N 3.29Å; W1013-G1015 PolarHBondContact O-N 3.05Å; G1015-K1018 PolarHBondContact O-N 3.25Å; G1015-A1019 WeakPolarHBondContact O-CB 3.34Å; G1015-A1019 PolarHBondContact O-N 3.03Å |
| 1016 | V | 96.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L1001 T1012 W1013 K1018 A1019 C1020 A1032 | L1001-V1016 HydrophobicContact CD2-CG1 4.04Å; L1001-V1016 HydrophobicContact CD2-CG2 3.91Å; L1001-V1016 HydrophobicContact CG-CG1 4.39Å; L1001-V1016 HydrophobicContact CG-CG2 4.06Å; T1012-V1016 WeakPolarHBondContact O-CG2 3.39Å; T1012-V1016 PolarHBondContact O-N 3.46Å; W1013-V1016 PolarHBondContact O-N 3.42Å; V1016-K1018 PolarHBondContact O-N 2.96Å; V1016-A1019 PolarHBondContact O-N 3.19Å; V1016-C1020 WeakPolarHBondContact O-CB 3.36Å; V1016-C1020 PolarHBondContact O-N 3.38Å; V1016-C1020 PolarHBondContact O-SG 3.14Å; V1016-C1020 VanDerWaalsContact O-SG 3.34Å; V1016-A1032 HydrophobicContact CB-CB 4Å; V1016-A1032 HydrophobicContact CG1-CB 3.76Å |
| 1017 | G | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1013 L1014 Y1021 | W1013-G1017 PolarHBondContact O-N 3.44Å; L1014-G1017 PolarHBondContact O-N 3.04Å; G1017-Y1021 VanDerWaalsContact O-CB 3.22Å; G1017-Y1021 WeakPolarHBondContact O-CB 3.31Å; G1017-Y1021 PolarHBondContact O-N 3.41Å |
| 1018 | K | 96.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 19% | 0.191 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 174 | -74.8 | -177.3 | 178.1 | -173.8 | 0 | 111 | L988 L1014 G1015 V1016 Y1021 R1022 E1045 Y1049 | L988-K1018 HydrophobicContact CD1-CB 4.01Å; L988-K1018 HydrophobicContact CD1-CD 4.01Å; L988-K1018 HydrophobicContact CD2-CB 4.24Å; L1014-K1018 HydrophobicContact CD1-CG 4.2Å; L1014-K1018 HydrophobicContact CG-CD 4.36Å; L1014-K1018 HydrophobicContact CG-CG 4.43Å; L1014-K1018 WeakPolarHBondContact O-CB 3.23Å; L1014-K1018 VanDerWaalsContact O-CG 3.26Å; L1014-K1018 WeakPolarHBondContact O-CG 3.4Å; L1014-K1018 PolarHBondContact O-N 3.01Å; G1015-K1018 PolarHBondContact O-N 3.25Å; V1016-K1018 PolarHBondContact O-N 2.96Å; K1018-Y1021 PolarHBondContact O-N 3.32Å; K1018-R1022 WeakPolarHBondContact O-CB 3.4Å; K1018-R1022 WeakPolarHBondContact O-CG 3.46Å; K1018-R1022 PolarHBondContact O-N 3.37Å; K1018-R1022 VanDerWaalsContact O-N 3.09Å; K1018-E1045 VanDerWaalsContact CE-OE2 3.22Å; K1018-E1045 WeakPolarHBondContact CE-OE2 3.26Å; K1018-E1045 IonicContact NZ-OE2 3.49Å; K1018-E1045 PolarHBondContact NZ-OE2 3.48Å; K1018-Y1049 HydrophobicContact CD-CE2 4.12Å; K1018-Y1049 HydrophobicContact CG-CD2 4.21Å; K1018-Y1049 HydrophobicContact CG-CE1 4.18Å; K1018-Y1049 HydrophobicContact CG-CE2 3.62Å |
| 1019 | A | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -48.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L988 A996 K997 G1015 V1016 Y1021 R1022 L1023 | L988-A1019 HydrophobicContact CD2-CB 4.08Å; A996-A1019 HydrophobicContact CB-CB 4.2Å; K997-A1019 HydrophobicContact CB-CB 3.84Å; G1015-A1019 WeakPolarHBondContact O-CB 3.34Å; G1015-A1019 PolarHBondContact O-N 3.03Å; V1016-A1019 PolarHBondContact O-N 3.19Å; A1019-Y1021 PolarHBondContact O-N 3.06Å; A1019-R1022 PolarHBondContact O-N 3.19Å; A1019-L1023 VanDerWaalsContact O-CG 3.31Å; A1019-L1023 WeakPolarHBondContact O-CG 3.28Å; A1019-L1023 PolarHBondContact O-N 3.03Å |
| 1020 | C | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.6 | -70 | 0 | 0 | 0 | 0 | 112.2 | V1016 R1022 L1023 E1024 E1025 N1028 A1029 | V1016-C1020 WeakPolarHBondContact O-CB 3.36Å; V1016-C1020 PolarHBondContact O-N 3.38Å; V1016-C1020 PolarHBondContact O-SG 3.14Å; V1016-C1020 VanDerWaalsContact O-SG 3.34Å; C1020-R1022 VanDerWaalsContact C-N 3.33Å; C1020-R1022 PolarHBondContact O-N 3.42Å; C1020-L1023 CarbonylContact O-C 3.46Å; C1020-L1023 PolarHBondContact O-N 3.27Å; C1020-E1024 PolarHBondContact O-N 3.3Å; C1020-E1025 HydrophobicContact CB-CB 4.32Å; C1020-E1025 PolarHBondContact O-N 2.95Å; C1020-N1028 HydrophobicContact CB-CB 4.24Å; C1020-A1029 HydrophobicContact CB-CB 3.71Å |
| 1021 | Y | 97.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.9 | 179.9 | -96.2 | 0 | 0 | 0 | 111.4 | G1017 K1018 A1019 L1023 E1024 L1026 Y1049 M1052 I1053 K1056 | G1017-Y1021 VanDerWaalsContact O-CB 3.22Å; G1017-Y1021 WeakPolarHBondContact O-CB 3.31Å; G1017-Y1021 PolarHBondContact O-N 3.41Å; K1018-Y1021 PolarHBondContact O-N 3.32Å; A1019-Y1021 PolarHBondContact O-N 3.06Å; Y1021-L1023 VanDerWaalsContact C-N 3.29Å; Y1021-L1023 PolarHBondContact O-N 3.4Å; Y1021-E1024 PolarHBondContact O-N 2.93Å; Y1021-E1024 VanDerWaalsContact O-N 3.09Å; Y1021-L1026 HydrophobicContact CD2-CD2 4.08Å; Y1021-L1026 HydrophobicContact CE2-CD2 4.19Å; Y1021-Y1049 AromaticContact CD1-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CD1-CD1 3.95Å; Y1021-Y1049 AromaticContact CD1-CE1 3.89Å; Y1021-Y1049 HydrophobicContact CD1-CE1 3.89Å; Y1021-Y1049 HydrophobicContact CE1-CE1 4.49Å; Y1021-Y1049 AromaticContact CG-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CG-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CG-CE1 4.3Å; Y1021-M1052 HydrophobicContact CE1-CE 4.18Å; Y1021-M1052 HydrophobicContact CE2-CB 3.95Å; Y1021-I1053 HydrophobicContact CD2-CD1 4.22Å; Y1021-I1053 HydrophobicContact CD2-CG1 3.56Å; Y1021-I1053 HydrophobicContact CE2-CG1 3.84Å; Y1021-K1056 HydrophobicContact CE2-CD 4.01Å; Y1021-K1056 VanDerWaalsContact OH-CE 3.27Å; Y1021-K1056 WeakPolarHBondContact OH-CE 3.37Å |
| 1022 | R | 96 | Very high | 93.6 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.9 | -23.2 | 178.2 | -66 | -73.7 | -176 | -116.8 | 2.8 | 113.3 | Y993 K1018 A1019 C1020 E1024 E1083 | Y993-R1022 HydrophobicContact CD1-CB 3.48Å; Y993-R1022 VanDerWaalsContact CD1-CB 3.48Å; Y993-R1022 HydrophobicContact CD1-CG 3.9Å; Y993-R1022 HydrophobicContact CD2-CB 3.76Å; Y993-R1022 HydrophobicContact CE1-CB 3.51Å; Y993-R1022 HydrophobicContact CE1-CG 3.54Å; Y993-R1022 HydrophobicContact CE2-CB 3.78Å; Y993-R1022 HydrophobicContact CE2-CG 4.47Å; Y993-R1022 HydrophobicContact CG-CB 3.6Å; Y993-R1022 HydrophobicContact CG-CG 4.5Å; K1018-R1022 WeakPolarHBondContact O-CB 3.4Å; K1018-R1022 WeakPolarHBondContact O-CG 3.46Å; K1018-R1022 PolarHBondContact O-N 3.37Å; K1018-R1022 VanDerWaalsContact O-N 3.09Å; A1019-R1022 PolarHBondContact O-N 3.19Å; C1020-R1022 VanDerWaalsContact C-N 3.33Å; C1020-R1022 PolarHBondContact O-N 3.42Å; R1022-E1024 VanDerWaalsContact C-N 3.25Å; R1022-E1083 IonicContact CZ-OE1 3.89Å; R1022-E1083 IonicContact CZ-OE2 3.84Å; R1022-E1083 IonicContact NH1-OE1 2.68Å; R1022-E1083 PolarHBondContact NH1-OE1 3.09Å; R1022-E1083 IonicContact NH1-OE2 3.6Å; R1022-E1083 PolarHBondContact NH1-OE2 2.82Å; R1022-E1083 IonicContact NH2-OE1 3.68Å; R1022-E1083 PolarHBondContact NH2-OE1 3.39Å; R1022-E1083 IonicContact NH2-OE2 2.75Å; R1022-E1083 PolarHBondContact NH2-OE2 3.46Å |
| 1023 | L | 95.6 | Very high | 93.5 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1.3 | 170.2 | -70 | 169.9 | 0 | 0 | 0 | 113.5 | K994 K997 A1019 C1020 Y1021 E1025 | K994-L1023 HydrophobicContact CG-CD1 4.2Å; K994-L1023 HydrophobicContact CG-CD2 3.68Å; K997-L1023 HydrophobicContact CD-CD1 4.08Å; A1019-L1023 VanDerWaalsContact O-CG 3.31Å; A1019-L1023 WeakPolarHBondContact O-CG 3.28Å; A1019-L1023 PolarHBondContact O-N 3.03Å; C1020-L1023 CarbonylContact O-C 3.46Å; C1020-L1023 PolarHBondContact O-N 3.27Å; Y1021-L1023 VanDerWaalsContact C-N 3.29Å; Y1021-L1023 PolarHBondContact O-N 3.4Å; L1023-E1025 HydrophobicContact CB-CG 4.08Å; L1023-E1025 PolarHBondContact O-N 2.86Å |
| 1024 | E | 94.3 | Very high | 93.1 | Very high | 118 Ų | 118 | 41.4 Ų | 41.4 | 55% | 0.551 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.5 | -172.3 | -59.4 | -66.3 | 166.6 | 0 | 0 | 114 | C1020 Y1021 R1022 L1026 K1056 | C1020-E1024 PolarHBondContact O-N 3.3Å; Y1021-E1024 PolarHBondContact O-N 2.93Å; Y1021-E1024 VanDerWaalsContact O-N 3.09Å; R1022-E1024 VanDerWaalsContact C-N 3.25Å; E1024-L1026 VanDerWaalsContact C-N 3.27Å; E1024-L1026 PolarHBondContact O-N 3.39Å; E1024-L1026 VanDerWaalsContact O-N 3.08Å; E1024-K1056 IonicContact OE1-NZ 2.71Å; E1024-K1056 PolarHBondContact OE1-NZ 3.34Å; E1024-K1056 IonicContact OE2-NZ 3.34Å; E1024-K1056 PolarHBondContact OE2-NZ 3.36Å |
| 1025 | E | 94.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | trans | -85 | 68.6 | 172.3 | -63.1 | -179.3 | -168.1 | 0 | 0 | 109.8 | K997 C1020 L1023 E1027 N1028 A1029 | K997-E1025 IonicContact NZ-OE1 2.95Å; K997-E1025 PolarHBondContact NZ-OE1 2.82Å; K997-E1025 IonicContact NZ-OE2 3.71Å; K997-E1025 PolarHBondContact NZ-OE2 3.46Å; C1020-E1025 HydrophobicContact CB-CB 4.32Å; C1020-E1025 PolarHBondContact O-N 2.95Å; L1023-E1025 HydrophobicContact CB-CG 4.08Å; L1023-E1025 PolarHBondContact O-N 2.86Å; E1025-E1027 VanDerWaalsContact C-N 3.34Å; E1025-E1027 PolarHBondContact O-N 3.39Å; E1025-N1028 HydrophobicContact CB-CB 4.19Å; E1025-N1028 PolarHBondContact O-N 3.32Å; E1025-N1028 PolarHBondContact OE2-ND2 3.32Å; E1025-A1029 WeakPolarHBondContact O-CB 3.35Å; E1025-A1029 PolarHBondContact O-N 2.77Å | ||
| 1026 | L | 92 | Very high | 92.2 | Very high | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.199 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | -169 | -59.6 | -179.2 | 0 | 0 | 0 | 114 | Y1021 E1024 A1029 E1030 K1056 T1057 | Y1021-L1026 HydrophobicContact CD2-CD2 4.08Å; Y1021-L1026 HydrophobicContact CE2-CD2 4.19Å; E1024-L1026 VanDerWaalsContact C-N 3.27Å; E1024-L1026 PolarHBondContact O-N 3.39Å; E1024-L1026 VanDerWaalsContact O-N 3.08Å; L1026-A1029 PolarHBondContact O-N 3.37Å; L1026-E1030 WeakPolarHBondContact O-CB 3.5Å; L1026-E1030 PolarHBondContact O-N 3.48Å; L1026-K1056 HydrophobicContact CD1-CB 3.99Å; L1026-K1056 HydrophobicContact CD1-CD 4.28Å; L1026-K1056 HydrophobicContact CD2-CD 3.87Å; L1026-T1057 HydrophobicContact CD1-CG2 4.2Å |
| 1027 | E | 89.5 | Confident | 91.5 | Very high | 157 Ų | 157 | 45.3 Ų | 45.3 | 73% | 0.734 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.3 | -50.5 | 178.7 | -64.8 | 178.4 | 176 | 0 | 0 | 110.8 | E1025 A1029 E1030 E1031 | E1025-E1027 VanDerWaalsContact C-N 3.34Å; E1025-E1027 PolarHBondContact O-N 3.39Å; E1027-A1029 VanDerWaalsContact C-N 3.28Å; E1027-A1029 PolarHBondContact O-N 2.91Å; E1027-E1030 WeakPolarHBondContact O-CB 3.4Å; E1027-E1030 PolarHBondContact O-N 2.87Å; E1027-E1031 PolarHBondContact O-N 2.81Å |
| 1028 | N | 89 | Confident | 90.7 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.6 | -65.6 | -19.6 | 0 | 0 | 0 | 112 | C1020 E1025 A1032 | C1020-N1028 HydrophobicContact CB-CB 4.24Å; E1025-N1028 HydrophobicContact CB-CB 4.19Å; E1025-N1028 PolarHBondContact O-N 3.32Å; E1025-N1028 PolarHBondContact OE2-ND2 3.32Å; N1028-A1032 WeakPolarHBondContact O-CB 3.38Å; N1028-A1032 PolarHBondContact O-N 2.83Å |
| 1029 | A | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | C1020 E1025 L1026 E1027 A1032 L1033 I1053 | C1020-A1029 HydrophobicContact CB-CB 3.71Å; E1025-A1029 WeakPolarHBondContact O-CB 3.35Å; E1025-A1029 PolarHBondContact O-N 2.77Å; L1026-A1029 PolarHBondContact O-N 3.37Å; E1027-A1029 VanDerWaalsContact C-N 3.28Å; E1027-A1029 PolarHBondContact O-N 2.91Å; A1029-A1032 PolarHBondContact O-N 2.88Å; A1029-L1033 WeakPolarHBondContact O-CB 3.34Å; A1029-L1033 VanDerWaalsContact O-CD1 3.32Å; A1029-L1033 WeakPolarHBondContact O-CD1 3.36Å; A1029-L1033 WeakPolarHBondContact O-CG 3.38Å; A1029-L1033 PolarHBondContact O-N 2.81Å; A1029-I1053 HydrophobicContact CB-CD1 3.7Å |
| 1030 | E | 90.2 | Very high | 88.6 | Confident | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.9 | -174.6 | 169.7 | -174.1 | 0 | 0 | 111.9 | L1026 E1027 A1032 L1033 T1034 I1053 R1059 | L1026-E1030 WeakPolarHBondContact O-CB 3.5Å; L1026-E1030 PolarHBondContact O-N 3.48Å; E1027-E1030 WeakPolarHBondContact O-CB 3.4Å; E1027-E1030 PolarHBondContact O-N 2.87Å; E1030-A1032 PolarHBondContact O-N 2.6Å; E1030-L1033 PolarHBondContact O-N 3.32Å; E1030-T1034 HydrophobicContact CG-CG2 4.17Å; E1030-T1034 WeakPolarHBondContact O-CB 3.29Å; E1030-T1034 VanDerWaalsContact O-CG2 3.23Å; E1030-T1034 WeakPolarHBondContact O-CG2 3.45Å; E1030-T1034 PolarHBondContact O-N 2.83Å; E1030-T1034 PolarHBondContact O-OG1 2.85Å; E1030-T1034 VanDerWaalsContact O-OG1 3.07Å; E1030-I1053 HydrophobicContact CB-CD1 4.38Å; E1030-I1053 HydrophobicContact CB-CG2 4.28Å; E1030-R1059 IonicContact OE1-CZ 2.89Å; E1030-R1059 IonicContact OE1-NH1 2.72Å; E1030-R1059 PolarHBondContact OE1-NH1 3.03Å; E1030-R1059 IonicContact OE1-NH2 2.67Å; E1030-R1059 PolarHBondContact OE1-NH2 2.8Å; E1030-R1059 VanDerWaalsContact OE1-NH2 3.13Å; E1030-R1059 IonicContact OE2-CZ 3.52Å; E1030-R1059 IonicContact OE2-NH1 3.51Å; E1030-R1059 IonicContact OE2-NH2 3.57Å; E1030-R1059 PolarHBondContact OE2-NH2 3.01Å |
| 1031 | E | 86.1 | Confident | 87.7 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 55% | 0.547 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 175.2 | -70.3 | -176.4 | 180 | 0 | 0 | 111.3 | E1027 L1033 T1034 E1035 | E1027-E1031 PolarHBondContact O-N 2.81Å; E1031-L1033 VanDerWaalsContact C-N 3.34Å; E1031-L1033 PolarHBondContact O-N 2.68Å; E1031-T1034 PolarHBondContact O-N 3.36Å; E1031-T1034 PolarHBondContact O-OG1 2.97Å; E1031-E1035 PolarHBondContact O-N 3.43Å; E1031-E1035 VanDerWaalsContact O-N 3.1Å |
| 1032 | A | 87.6 | Confident | 86.9 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1013 V1016 N1028 A1029 E1030 E1035 A1036 | W1013-A1032 HydrophobicContact CE3-CB 4.02Å; V1016-A1032 HydrophobicContact CB-CB 4Å; V1016-A1032 HydrophobicContact CG1-CB 3.76Å; N1028-A1032 WeakPolarHBondContact O-CB 3.38Å; N1028-A1032 PolarHBondContact O-N 2.83Å; A1029-A1032 PolarHBondContact O-N 2.88Å; E1030-A1032 PolarHBondContact O-N 2.6Å; A1032-E1035 PolarHBondContact O-N 3.08Å; A1032-A1036 PolarHBondContact O-N 3.36Å |
| 1033 | L | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.4 | -30 | -179.4 | -69.7 | 162.4 | 0 | 0 | 0 | 113.1 | L1014 A1029 E1030 E1031 A1036 N1037 V1046 Y1049 L1050 I1053 | L1014-L1033 HydrophobicContact CD1-CD2 3.75Å; A1029-L1033 WeakPolarHBondContact O-CB 3.34Å; A1029-L1033 VanDerWaalsContact O-CD1 3.32Å; A1029-L1033 WeakPolarHBondContact O-CD1 3.36Å; A1029-L1033 WeakPolarHBondContact O-CG 3.38Å; A1029-L1033 PolarHBondContact O-N 2.81Å; E1030-L1033 PolarHBondContact O-N 3.32Å; E1031-L1033 VanDerWaalsContact C-N 3.34Å; E1031-L1033 PolarHBondContact O-N 2.68Å; L1033-A1036 PolarHBondContact O-N 2.86Å; L1033-N1037 VanDerWaalsContact O-CB 3.25Å; L1033-N1037 WeakPolarHBondContact O-CB 3.48Å; L1033-N1037 PolarHBondContact O-N 2.68Å; L1033-V1046 HydrophobicContact CD2-CG1 4.37Å; L1033-V1046 WeakPolarHBondContact O-CG1 3.42Å; L1033-Y1049 VanDerWaalsContact CD1-CB 3.41Å; L1033-Y1049 HydrophobicContact CD1-CG 4.44Å; L1033-L1050 HydrophobicContact CB-CD2 3.68Å; L1033-L1050 HydrophobicContact CB-CG 3.95Å; L1033-L1050 HydrophobicContact CD1-CD2 4.49Å; L1033-I1053 HydrophobicContact CD1-CD1 3.37Å |
| 1034 | T | 85.8 | Confident | 85.8 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 37% | 0.368 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | E1030 E1031 N1037 Y1038 L1050 | E1030-T1034 HydrophobicContact CG-CG2 4.17Å; E1030-T1034 WeakPolarHBondContact O-CB 3.29Å; E1030-T1034 VanDerWaalsContact O-CG2 3.23Å; E1030-T1034 WeakPolarHBondContact O-CG2 3.45Å; E1030-T1034 PolarHBondContact O-N 2.83Å; E1030-T1034 PolarHBondContact O-OG1 2.85Å; E1030-T1034 VanDerWaalsContact O-OG1 3.07Å; E1031-T1034 PolarHBondContact O-N 3.36Å; E1031-T1034 PolarHBondContact O-OG1 2.97Å; T1034-N1037 PolarHBondContact O-N 3.38Å; T1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; T1034-Y1038 PolarHBondContact O-N 3.3Å; T1034-L1050 HydrophobicContact CG2-CD2 4.3Å |
| 1035 | E | 85.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 170.2 | -70.8 | -58.7 | 144.6 | 0 | 0 | 112 | W1013 E1031 A1032 N1037 Y1038 I1039 | W1013-E1035 HydrophobicContact CD2-CB 3.93Å; W1013-E1035 HydrophobicContact CE3-CB 4.35Å; W1013-E1035 HydrophobicContact CG-CB 4.08Å; E1031-E1035 PolarHBondContact O-N 3.43Å; E1031-E1035 VanDerWaalsContact O-N 3.1Å; A1032-E1035 PolarHBondContact O-N 3.08Å; E1035-N1037 VanDerWaalsContact C-N 3.32Å; E1035-N1037 PolarHBondContact O-N 3.47Å; E1035-Y1038 WeakPolarHBondContact O-CB 3.44Å; E1035-Y1038 PolarHBondContact O-N 2.96Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.48Å; E1035-I1039 PolarHBondContact O-N 3.17Å |
| 1036 | A | 85.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1013 A1032 L1033 I1039 N1040 V1046 | W1013-A1036 HydrophobicContact CB-CB 3.73Å; A1032-A1036 PolarHBondContact O-N 3.36Å; L1033-A1036 PolarHBondContact O-N 2.86Å; A1036-I1039 PolarHBondContact O-N 3.41Å; A1036-N1040 PolarHBondContact O-N 3Å; A1036-V1046 HydrophobicContact CB-CG1 4.15Å; A1036-V1046 HydrophobicContact CB-CG2 3.79Å |
| 1037 | N | 81 | Confident | 85.6 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -36.2 | 177.5 | -172.2 | 34.3 | 0 | 0 | 0 | 111.6 | L1033 T1034 E1035 I1039 N1040 N1041 V1046 W1047 L1050 | L1033-N1037 VanDerWaalsContact O-CB 3.25Å; L1033-N1037 WeakPolarHBondContact O-CB 3.48Å; L1033-N1037 PolarHBondContact O-N 2.68Å; T1034-N1037 PolarHBondContact O-N 3.38Å; E1035-N1037 VanDerWaalsContact C-N 3.32Å; E1035-N1037 PolarHBondContact O-N 3.47Å; N1037-I1039 VanDerWaalsContact C-N 3.3Å; N1037-I1039 PolarHBondContact O-N 2.99Å; N1037-N1040 CarbonylContact O-C 3.4Å; N1037-N1041 WeakPolarHBondContact O-CA 3.33Å; N1037-N1041 WeakPolarHBondContact O-CB 3.43Å; N1037-N1041 PolarHBondContact O-N 2.96Å; N1037-N1041 VanDerWaalsContact O-N 3.09Å; N1037-N1041 VanDerWaalsContact OD1-CA 3.29Å; N1037-N1041 WeakPolarHBondContact OD1-CA 3.14Å; N1037-N1041 WeakPolarHBondContact OD1-CB 3.38Å; N1037-V1046 HydrophobicContact CB-CG1 3.7Å; N1037-W1047 WeakPolarHBondContact ND2-CH2 3.45Å; N1037-W1047 WeakPolarHBondContact OD1-CZ2 3.44Å; N1037-L1050 HydrophobicContact CB-CD1 4.24Å |
| 1038 | Y | 79 | Confident | 85.8 | Confident | 116 Ų | 116 | 38.4 Ų | 38.4 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 174.3 | 178.4 | -92 | 0 | 0 | 0 | 111.4 | N536 T1034 E1035 | N536-Y1038 HydrophobicContact CB-CE1 4.31Å; N536-Y1038 WeakPolarHBondContact ND2-CD2 3.44Å; N536-Y1038 WeakPolarHBondContact ND2-CE2 3.16Å; N536-Y1038 VanDerWaalsContact ND2-CZ 3.28Å; N536-Y1038 PolarHBondContact ND2-O 3Å; T1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; T1034-Y1038 PolarHBondContact O-N 3.3Å; E1035-Y1038 WeakPolarHBondContact O-CB 3.44Å; E1035-Y1038 PolarHBondContact O-N 2.96Å |
| 1039 | I | 75.7 | Confident | 86.2 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 16% | 0.159 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.1 | -50.1 | 177.4 | -66.1 | 168.5 | 0 | 0 | 0 | 111.7 | Y546 C1010 E1035 A1036 N1037 | Y546-I1039 HydrophobicContact CE1-CG2 4.23Å; Y546-I1039 HydrophobicContact CE2-CG2 3.93Å; Y546-I1039 VanDerWaalsContact OH-CG2 3.23Å; Y546-I1039 WeakPolarHBondContact OH-CG2 3.41Å; C1010-I1039 HydrophobicContact CB-CG2 4.09Å; E1035-I1039 WeakPolarHBondContact O-CG1 3.48Å; E1035-I1039 PolarHBondContact O-N 3.17Å; A1036-I1039 PolarHBondContact O-N 3.41Å; N1037-I1039 VanDerWaalsContact C-N 3.3Å; N1037-I1039 PolarHBondContact O-N 2.99Å |
| 1040 | N | 74.8 | Confident | 86.2 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | trans | -137.1 | 92.8 | 179 | -178.4 | 4.2 | 0 | 0 | 0 | 111.2 | Y562 C1010 A1036 N1037 R1042 N1043 | Y562-N1040 PolarHBondContact OH-ND2 3.06Å; C1010-N1040 HydrophobicContact CB-CB 3.74Å; A1036-N1040 PolarHBondContact O-N 3Å; N1037-N1040 CarbonylContact O-C 3.4Å; N1040-R1042 PolarHBondContact O-N 3.42Å; N1040-R1042 VanDerWaalsContact O-N 3.16Å; N1040-R1042 WeakPolarHBondContact OD1-CA 3.42Å; N1040-R1042 WeakPolarHBondContact OD1-CB 3.39Å; N1040-R1042 PolarHBondContact OD1-N 3.37Å; N1040-N1043 PolarHBondContact O-N 3.12Å; N1040-N1043 PolarHBondContact OD1-N 3.46Å | ||
| 1041 | N | 78 | Confident | 86.2 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 2.1 | 177.3 | 67 | 13.6 | 0 | 0 | 0 | 114.7 | I532 P533 N1037 W1047 | I532-N1041 WeakPolarHBondContact CG2-OD1 3.28Å; P533-N1041 PolarHBondContact O-ND2 3.11Å; N1037-N1041 WeakPolarHBondContact O-CA 3.33Å; N1037-N1041 WeakPolarHBondContact O-CB 3.43Å; N1037-N1041 PolarHBondContact O-N 2.96Å; N1037-N1041 VanDerWaalsContact O-N 3.09Å; N1037-N1041 VanDerWaalsContact OD1-CA 3.29Å; N1037-N1041 WeakPolarHBondContact OD1-CA 3.14Å; N1037-N1041 WeakPolarHBondContact OD1-CB 3.38Å; N1041-W1047 PolarHBondContact O-NE1 2.87Å |
| 1042 | R | 80.2 | Confident | 86.7 | Confident | 89 Ų | 89 | 28.1 Ų | 28.1 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -0.3 | 176.9 | -60.2 | -177.1 | 175.6 | -179.7 | -4 | 112.7 | I532 W558 N1040 P1044 M1073 | I532-R1042 HydrophobicContact CG2-CG 4.3Å; W558-R1042 HydrophobicContact CH2-CB 3.32Å; W558-R1042 HydrophobicContact CH2-CG 4.05Å; W558-R1042 HydrophobicContact CZ2-CB 3.96Å; W558-R1042 HydrophobicContact CZ3-CB 4.22Å; N1040-R1042 PolarHBondContact O-N 3.42Å; N1040-R1042 VanDerWaalsContact O-N 3.16Å; N1040-R1042 WeakPolarHBondContact OD1-CA 3.42Å; N1040-R1042 WeakPolarHBondContact OD1-CB 3.39Å; N1040-R1042 PolarHBondContact OD1-N 3.37Å; R1042-P1044 VanDerWaalsContact O-CD 3.3Å; R1042-P1044 WeakPolarHBondContact O-CD 3.47Å; R1042-M1073 HydrophobicContact CB-SD 4.15Å; R1042-M1073 HydrophobicContact CG-SD 4.3Å |
| 1043 | N | 82.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 28.1 Ų | 28.1 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | trans | -74 | 114.7 | 174.4 | -172.5 | -26.9 | 0 | 0 | 0 | 109.8 | C1010 N1040 E1045 V1046 W1047 | C1010-N1043 PolarHBondContact SG-ND2 3.49Å; C1010-N1043 VanDerWaalsContact SG-ND2 3.41Å; N1040-N1043 PolarHBondContact O-N 3.12Å; N1040-N1043 PolarHBondContact OD1-N 3.46Å; N1043-E1045 VanDerWaalsContact C-N 3.31Å; N1043-E1045 PolarHBondContact O-N 3.06Å; N1043-E1045 WeakPolarHBondContact OD1-CB 3.45Å; N1043-E1045 PolarHBondContact OD1-N 3.32Å; N1043-V1046 HydrophobicContact CB-CB 4.35Å; N1043-V1046 HydrophobicContact CB-CG2 3.84Å; N1043-V1046 PolarHBondContact O-N 3.48Å; N1043-W1047 VanDerWaalsContact O-CD1 3.29Å | ||
| 1044 | P | 86.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 15% | 0.149 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.5 | -28.8 | -177.4 | 27.5 | -34.6 | 0 | 0 | 0 | 113.3 | R1042 W1047 A1048 C1070 M1073 L1075 | R1042-P1044 VanDerWaalsContact O-CD 3.3Å; R1042-P1044 WeakPolarHBondContact O-CD 3.47Å; P1044-W1047 PolarHBondContact O-N 2.94Å; P1044-A1048 PolarHBondContact O-N 3.33Å; P1044-C1070 PolarHBondContact O-SG 3.47Å; P1044-M1073 HydrophobicContact CB-CB 3.95Å; P1044-L1075 HydrophobicContact CB-CB 3.89Å; P1044-L1075 HydrophobicContact CB-CD1 3.91Å; P1044-L1075 HydrophobicContact CG-CD1 4.15Å |
| 1045 | E | 92.5 | Very high | 87.2 | Confident | 53 Ų | 53 | 25.6 Ų | 25.6 | 25% | 0.248 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 178.8 | -66.6 | -178.4 | -151.8 | 0 | 0 | 111.4 | L1014 K1018 N1043 W1047 A1048 Y1049 L1075 L1080 | L1014-E1045 HydrophobicContact CD1-CB 4.32Å; L1014-E1045 HydrophobicContact CD2-CB 3.98Å; K1018-E1045 VanDerWaalsContact CE-OE2 3.22Å; K1018-E1045 WeakPolarHBondContact CE-OE2 3.26Å; K1018-E1045 IonicContact NZ-OE2 3.49Å; K1018-E1045 PolarHBondContact NZ-OE2 3.48Å; N1043-E1045 VanDerWaalsContact C-N 3.31Å; N1043-E1045 PolarHBondContact O-N 3.06Å; N1043-E1045 WeakPolarHBondContact OD1-CB 3.45Å; N1043-E1045 PolarHBondContact OD1-N 3.32Å; E1045-W1047 VanDerWaalsContact C-N 3.3Å; E1045-W1047 PolarHBondContact O-N 3.39Å; E1045-A1048 VanDerWaalsContact O-CB 3.3Å; E1045-A1048 WeakPolarHBondContact O-CB 3.47Å; E1045-A1048 PolarHBondContact O-N 2.93Å; E1045-A1048 VanDerWaalsContact O-N 3.11Å; E1045-Y1049 VanDerWaalsContact O-CD2 3.31Å; E1045-Y1049 WeakPolarHBondContact O-CD2 3.49Å; E1045-Y1049 PolarHBondContact O-N 2.88Å; E1045-L1075 HydrophobicContact CG-CD1 3.87Å; E1045-L1080 HydrophobicContact CB-CD2 4.45Å; E1045-L1080 HydrophobicContact CG-CD2 4.27Å |
| 1046 | V | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | L1014 L1033 A1036 N1037 N1043 A1048 Y1049 L1050 | L1014-V1046 HydrophobicContact CB-CG2 4.44Å; L1014-V1046 HydrophobicContact CD1-CG2 4.01Å; L1014-V1046 HydrophobicContact CD2-CG2 4.4Å; L1033-V1046 HydrophobicContact CD2-CG1 4.37Å; L1033-V1046 WeakPolarHBondContact O-CG1 3.42Å; A1036-V1046 HydrophobicContact CB-CG1 4.15Å; A1036-V1046 HydrophobicContact CB-CG2 3.79Å; N1037-V1046 HydrophobicContact CB-CG1 3.7Å; N1043-V1046 HydrophobicContact CB-CB 4.35Å; N1043-V1046 HydrophobicContact CB-CG2 3.84Å; N1043-V1046 PolarHBondContact O-N 3.48Å; V1046-A1048 VanDerWaalsContact C-N 3.32Å; V1046-A1048 PolarHBondContact O-N 2.9Å; V1046-Y1049 PolarHBondContact O-N 3.05Å; V1046-L1050 HydrophobicContact CG1-CD1 4.04Å; V1046-L1050 WeakPolarHBondContact O-CB 3.48Å; V1046-L1050 WeakPolarHBondContact O-CG 3.35Å; V1046-L1050 PolarHBondContact O-N 3.33Å |
| 1047 | W | 92.7 | Very high | 87.9 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 175.6 | -70.7 | 111.9 | 0 | 0 | 0 | 113.1 | N1037 N1041 N1043 P1044 E1045 L1050 S1051 Y1069 C1070 | N1037-W1047 WeakPolarHBondContact ND2-CH2 3.45Å; N1037-W1047 WeakPolarHBondContact OD1-CZ2 3.44Å; N1041-W1047 PolarHBondContact O-NE1 2.87Å; N1043-W1047 VanDerWaalsContact O-CD1 3.29Å; P1044-W1047 PolarHBondContact O-N 2.94Å; E1045-W1047 VanDerWaalsContact C-N 3.3Å; E1045-W1047 PolarHBondContact O-N 3.39Å; W1047-L1050 HydrophobicContact CE3-CD1 4.18Å; W1047-L1050 HydrophobicContact CZ3-CD1 4.36Å; W1047-S1051 WeakPolarHBondContact O-CB 3.33Å; W1047-S1051 PolarHBondContact O-N 3.03Å; W1047-Y1069 HydrophobicContact CD2-CG 4.45Å; W1047-Y1069 HydrophobicContact CH2-CD2 4.48Å; W1047-Y1069 HydrophobicContact CZ2-CG 4.33Å; W1047-C1070 HydrophobicContact CB-CB 3.82Å |
| 1048 | A | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -52.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1044 E1045 V1046 S1051 M1052 L1075 L1080 I1084 | P1044-A1048 PolarHBondContact O-N 3.33Å; E1045-A1048 VanDerWaalsContact O-CB 3.3Å; E1045-A1048 WeakPolarHBondContact O-CB 3.47Å; E1045-A1048 PolarHBondContact O-N 2.93Å; E1045-A1048 VanDerWaalsContact O-N 3.11Å; V1046-A1048 VanDerWaalsContact C-N 3.32Å; V1046-A1048 PolarHBondContact O-N 2.9Å; A1048-S1051 WeakPolarHBondContact O-CB 3.5Å; A1048-S1051 PolarHBondContact O-N 2.8Å; A1048-M1052 WeakPolarHBondContact O-CG 3.39Å; A1048-M1052 PolarHBondContact O-N 2.9Å; A1048-L1075 HydrophobicContact CB-CD2 4.18Å; A1048-L1080 HydrophobicContact CB-CD2 3.58Å; A1048-L1080 HydrophobicContact CB-CG 3.98Å; A1048-I1084 HydrophobicContact CB-CD1 3.69Å |
| 1049 | Y | 96.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 29 Ų | 29 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 178.8 | -76.8 | -83.1 | 0 | 0 | 0 | 113 | L1014 K1018 Y1021 L1033 E1045 V1046 S1051 M1052 I1053 L1080 | L1014-Y1049 HydrophobicContact CD1-CD2 4.14Å; K1018-Y1049 HydrophobicContact CD-CE2 4.12Å; K1018-Y1049 HydrophobicContact CG-CD2 4.21Å; K1018-Y1049 HydrophobicContact CG-CE1 4.18Å; K1018-Y1049 HydrophobicContact CG-CE2 3.62Å; Y1021-Y1049 AromaticContact CD1-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CD1-CD1 3.95Å; Y1021-Y1049 AromaticContact CD1-CE1 3.89Å; Y1021-Y1049 HydrophobicContact CD1-CE1 3.89Å; Y1021-Y1049 HydrophobicContact CE1-CE1 4.49Å; Y1021-Y1049 AromaticContact CG-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CG-CD1 3.95Å; Y1021-Y1049 HydrophobicContact CG-CE1 4.3Å; L1033-Y1049 VanDerWaalsContact CD1-CB 3.41Å; L1033-Y1049 HydrophobicContact CD1-CG 4.44Å; E1045-Y1049 VanDerWaalsContact O-CD2 3.31Å; E1045-Y1049 WeakPolarHBondContact O-CD2 3.49Å; E1045-Y1049 PolarHBondContact O-N 2.88Å; V1046-Y1049 PolarHBondContact O-N 3.05Å; Y1049-S1051 VanDerWaalsContact C-N 3.29Å; Y1049-S1051 PolarHBondContact O-N 3.27Å; Y1049-M1052 HydrophobicContact CD1-CE 3.33Å; Y1049-M1052 HydrophobicContact CD2-CE 4.45Å; Y1049-M1052 HydrophobicContact CE1-CE 3.53Å; Y1049-M1052 HydrophobicContact CG-CE 3.83Å; Y1049-M1052 PolarHBondContact O-N 2.85Å; Y1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; Y1049-I1053 PolarHBondContact O-N 2.87Å; Y1049-L1080 HydrophobicContact CD2-CD2 4.41Å; Y1049-L1080 HydrophobicContact CE1-CD1 4.41Å; Y1049-L1080 HydrophobicContact CE2-CD1 3.95Å; Y1049-L1080 HydrophobicContact CE2-CD2 3.9Å |
| 1050 | L | 93.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 172.1 | -74.2 | 172.8 | 0 | 0 | 0 | 111.5 | L1033 T1034 N1037 V1046 W1047 I1053 C1054 | L1033-L1050 HydrophobicContact CB-CD2 3.68Å; L1033-L1050 HydrophobicContact CB-CG 3.95Å; L1033-L1050 HydrophobicContact CD1-CD2 4.49Å; T1034-L1050 HydrophobicContact CG2-CD2 4.3Å; N1037-L1050 HydrophobicContact CB-CD1 4.24Å; V1046-L1050 HydrophobicContact CG1-CD1 4.04Å; V1046-L1050 WeakPolarHBondContact O-CB 3.48Å; V1046-L1050 WeakPolarHBondContact O-CG 3.35Å; V1046-L1050 PolarHBondContact O-N 3.33Å; W1047-L1050 HydrophobicContact CE3-CD1 4.18Å; W1047-L1050 HydrophobicContact CZ3-CD1 4.36Å; L1050-I1053 PolarHBondContact O-N 3.07Å; L1050-C1054 WeakPolarHBondContact O-CB 3.31Å; L1050-C1054 PolarHBondContact O-N 3.08Å; L1050-C1054 PolarHBondContact O-SG 2.97Å |
| 1051 | S | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | W1047 A1048 Y1049 I1053 C1054 L1055 A1063 | W1047-S1051 WeakPolarHBondContact O-CB 3.33Å; W1047-S1051 PolarHBondContact O-N 3.03Å; A1048-S1051 WeakPolarHBondContact O-CB 3.5Å; A1048-S1051 PolarHBondContact O-N 2.8Å; Y1049-S1051 VanDerWaalsContact C-N 3.29Å; Y1049-S1051 PolarHBondContact O-N 3.27Å; S1051-I1053 PolarHBondContact O-N 2.97Å; S1051-C1054 PolarHBondContact O-N 2.77Å; S1051-L1055 VanDerWaalsContact O-CG 3.32Å; S1051-L1055 WeakPolarHBondContact O-CG 3.37Å; S1051-L1055 PolarHBondContact O-N 3.13Å; S1051-A1063 PolarHBondContact OG-O 2.76Å; S1051-A1063 VanDerWaalsContact OG-O 3.11Å |
| 1052 | M | 95 | Very high | 89 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 178.2 | -66.4 | -169.8 | -65.3 | 0 | 0 | 113.4 | Y1021 A1048 Y1049 L1055 K1056 L1080 E1083 I1084 L1087 | Y1021-M1052 HydrophobicContact CE1-CE 4.18Å; Y1021-M1052 HydrophobicContact CE2-CB 3.95Å; A1048-M1052 WeakPolarHBondContact O-CG 3.39Å; A1048-M1052 PolarHBondContact O-N 2.9Å; Y1049-M1052 HydrophobicContact CD1-CE 3.33Å; Y1049-M1052 HydrophobicContact CD2-CE 4.45Å; Y1049-M1052 HydrophobicContact CE1-CE 3.53Å; Y1049-M1052 HydrophobicContact CG-CE 3.83Å; Y1049-M1052 PolarHBondContact O-N 2.85Å; M1052-L1055 WeakPolarHBondContact O-CB 3.5Å; M1052-L1055 PolarHBondContact O-N 2.84Å; M1052-K1056 PolarHBondContact O-N 2.81Å; M1052-L1080 HydrophobicContact CE-CD1 3.49Å; M1052-L1080 VanDerWaalsContact CE-CD1 3.49Å; M1052-L1080 HydrophobicContact SD-CD1 4.24Å; M1052-E1083 HydrophobicContact SD-CB 4.4Å; M1052-E1083 HydrophobicContact SD-CG 3.95Å; M1052-I1084 HydrophobicContact CG-CB 4.45Å; M1052-I1084 HydrophobicContact CG-CG1 3.58Å; M1052-I1084 HydrophobicContact SD-CG1 3.84Å; M1052-L1087 HydrophobicContact CB-CD2 3.98Å; M1052-L1087 HydrophobicContact CG-CD2 4.22Å |
| 1053 | I | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 174 | -68.8 | 169.6 | 0 | 0 | 0 | 110.4 | Y1021 A1029 E1030 L1033 Y1049 L1050 S1051 L1055 K1056 T1057 | Y1021-I1053 HydrophobicContact CD2-CD1 4.22Å; Y1021-I1053 HydrophobicContact CD2-CG1 3.56Å; Y1021-I1053 HydrophobicContact CE2-CG1 3.84Å; A1029-I1053 HydrophobicContact CB-CD1 3.7Å; E1030-I1053 HydrophobicContact CB-CD1 4.38Å; E1030-I1053 HydrophobicContact CB-CG2 4.28Å; L1033-I1053 HydrophobicContact CD1-CD1 3.37Å; Y1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; Y1049-I1053 PolarHBondContact O-N 2.87Å; L1050-I1053 PolarHBondContact O-N 3.07Å; S1051-I1053 PolarHBondContact O-N 2.97Å; I1053-L1055 VanDerWaalsContact C-N 3.28Å; I1053-L1055 PolarHBondContact O-N 3.04Å; I1053-K1056 PolarHBondContact O-N 2.7Å; I1053-T1057 HydrophobicContact CG2-CG2 4.28Å; I1053-T1057 WeakPolarHBondContact O-CB 3.34Å; I1053-T1057 WeakPolarHBondContact O-CG2 3.31Å; I1053-T1057 PolarHBondContact O-N 3.34Å; I1053-T1057 PolarHBondContact O-OG1 3.07Å |
| 1054 | C | 90 | Very high | 89.1 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.2 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | L1050 S1051 T1057 N1058 R1059 E1062 A1063 | L1050-C1054 WeakPolarHBondContact O-CB 3.31Å; L1050-C1054 PolarHBondContact O-N 3.08Å; L1050-C1054 PolarHBondContact O-SG 2.97Å; S1051-C1054 PolarHBondContact O-N 2.77Å; C1054-T1057 WeakPolarHBondContact CA-OG1 3.36Å; C1054-T1057 PolarHBondContact O-OG1 2.92Å; C1054-N1058 PolarHBondContact O-N 2.78Å; C1054-N1058 VanDerWaalsContact O-N 3.15Å; C1054-R1059 HydrophobicContact CB-CB 4.22Å; C1054-R1059 PolarHBondContact O-N 2.81Å; C1054-E1062 HydrophobicContact CB-CB 4.33Å; C1054-A1063 HydrophobicContact CB-CB 3.61Å |
| 1055 | L | 92.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -52.5 | 172.6 | -76 | 167.5 | 0 | 0 | 0 | 111.2 | S1051 M1052 I1053 T1057 N1058 A1063 I1084 L1087 Q1088 V1091 W1093 | S1051-L1055 VanDerWaalsContact O-CG 3.32Å; S1051-L1055 WeakPolarHBondContact O-CG 3.37Å; S1051-L1055 PolarHBondContact O-N 3.13Å; M1052-L1055 WeakPolarHBondContact O-CB 3.5Å; M1052-L1055 PolarHBondContact O-N 2.84Å; I1053-L1055 VanDerWaalsContact C-N 3.28Å; I1053-L1055 PolarHBondContact O-N 3.04Å; L1055-T1057 VanDerWaalsContact C-N 3.3Å; L1055-T1057 PolarHBondContact O-N 2.81Å; L1055-N1058 PolarHBondContact O-N 2.56Å; L1055-A1063 HydrophobicContact CD2-CB 4.17Å; L1055-A1063 HydrophobicContact CG-CB 4.08Å; L1055-I1084 HydrophobicContact CD1-CG2 4.39Å; L1055-L1087 HydrophobicContact CB-CD2 3.62Å; L1055-L1087 HydrophobicContact CB-CG 3.99Å; L1055-L1087 HydrophobicContact CD1-CB 4.32Å; L1055-L1087 HydrophobicContact CD1-CD2 3.86Å; L1055-L1087 HydrophobicContact CD1-CG 4.08Å; L1055-L1087 HydrophobicContact CG-CD2 4.38Å; L1055-Q1088 HydrophobicContact CD1-CG 3.76Å; L1055-Q1088 HydrophobicContact CD2-CG 4.17Å; L1055-V1091 HydrophobicContact CD2-CG1 4.49Å; L1055-W1093 HydrophobicContact CD2-CE3 4.01Å; L1055-W1093 HydrophobicContact CD2-CH2 4.23Å; L1055-W1093 HydrophobicContact CD2-CZ3 3.7Å |
| 1056 | K | 92.8 | Very high | 88.2 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -34.1 | 177.8 | -76.9 | -172.2 | 167.5 | -175.7 | 0 | 113.3 | Y1021 E1024 L1026 M1052 I1053 L1087 | Y1021-K1056 HydrophobicContact CE2-CD 4.01Å; Y1021-K1056 VanDerWaalsContact OH-CE 3.27Å; Y1021-K1056 WeakPolarHBondContact OH-CE 3.37Å; E1024-K1056 IonicContact OE1-NZ 2.71Å; E1024-K1056 PolarHBondContact OE1-NZ 3.34Å; E1024-K1056 IonicContact OE2-NZ 3.34Å; E1024-K1056 PolarHBondContact OE2-NZ 3.36Å; L1026-K1056 HydrophobicContact CD1-CB 3.99Å; L1026-K1056 HydrophobicContact CD1-CD 4.28Å; L1026-K1056 HydrophobicContact CD2-CD 3.87Å; M1052-K1056 PolarHBondContact O-N 2.81Å; I1053-K1056 PolarHBondContact O-N 2.7Å; K1056-L1087 HydrophobicContact CG-CD1 4.3Å; K1056-L1087 HydrophobicContact CG-CD2 4.13Å |
| 1057 | T | 91.9 | Very high | 88 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 7.1 | -179.4 | 55.3 | 0 | 0 | 0 | 0 | 114 | L1026 I1053 C1054 L1055 R1059 | L1026-T1057 HydrophobicContact CD1-CG2 4.2Å; I1053-T1057 HydrophobicContact CG2-CG2 4.28Å; I1053-T1057 WeakPolarHBondContact O-CB 3.34Å; I1053-T1057 WeakPolarHBondContact O-CG2 3.31Å; I1053-T1057 PolarHBondContact O-N 3.34Å; I1053-T1057 PolarHBondContact O-OG1 3.07Å; C1054-T1057 WeakPolarHBondContact CA-OG1 3.36Å; C1054-T1057 PolarHBondContact O-OG1 2.92Å; L1055-T1057 VanDerWaalsContact C-N 3.3Å; L1055-T1057 PolarHBondContact O-N 2.81Å; T1057-R1059 VanDerWaalsContact C-N 3.3Å; T1057-R1059 PolarHBondContact O-N 2.77Å; T1057-R1059 PolarHBondContact OG1-NE 3.41Å; T1057-R1059 PolarHBondContact OG1-NH2 2.94Å |
| 1058 | N | 87.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 44.6 Ų | 44.6 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 29.4 | 177.8 | -161 | 22.5 | 0 | 0 | 0 | 115 | C1054 L1055 R1060 W1093 | C1054-N1058 PolarHBondContact O-N 2.78Å; C1054-N1058 VanDerWaalsContact O-N 3.15Å; L1055-N1058 PolarHBondContact O-N 2.56Å; N1058-R1060 PolarHBondContact O-N 3.45Å; N1058-W1093 HydrophobicContact CB-CZ2 4.4Å; N1058-W1093 WeakPolarHBondContact OD1-CZ2 3.34Å |
| 1059 | R | 83.9 | Confident | 86.9 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | trans | -94.9 | 82.6 | 177.3 | -67.2 | -179 | -67.2 | 170 | -19.6 | 111.1 | E1030 C1054 T1057 T1061 E1062 A1063 | E1030-R1059 IonicContact OE1-CZ 2.89Å; E1030-R1059 IonicContact OE1-NH1 2.72Å; E1030-R1059 PolarHBondContact OE1-NH1 3.03Å; E1030-R1059 IonicContact OE1-NH2 2.67Å; E1030-R1059 PolarHBondContact OE1-NH2 2.8Å; E1030-R1059 VanDerWaalsContact OE1-NH2 3.13Å; E1030-R1059 IonicContact OE2-CZ 3.52Å; E1030-R1059 IonicContact OE2-NH1 3.51Å; E1030-R1059 IonicContact OE2-NH2 3.57Å; E1030-R1059 PolarHBondContact OE2-NH2 3.01Å; C1054-R1059 HydrophobicContact CB-CB 4.22Å; C1054-R1059 PolarHBondContact O-N 2.81Å; T1057-R1059 VanDerWaalsContact C-N 3.3Å; T1057-R1059 PolarHBondContact O-N 2.77Å; T1057-R1059 PolarHBondContact OG1-NE 3.41Å; T1057-R1059 PolarHBondContact OG1-NH2 2.94Å; R1059-T1061 PolarHBondContact O-N 3.12Å; R1059-E1062 HydrophobicContact CB-CB 4.28Å; R1059-E1062 VanDerWaalsContact CD-OE2 3.31Å; R1059-E1062 WeakPolarHBondContact CD-OE2 3.44Å; R1059-E1062 IonicContact CZ-OE2 3.77Å; R1059-E1062 IonicContact NE-OE2 2.78Å; R1059-E1062 IonicContact NH1-OE2 2.99Å; R1059-E1062 PolarHBondContact NH1-OE2 2.66Å; R1059-E1062 PolarHBondContact O-N 3.07Å; R1059-A1063 WeakPolarHBondContact O-CB 3.43Å; R1059-A1063 PolarHBondContact O-N 3.41Å | ||
| 1060 | R | 81.2 | Confident | 86.2 | Confident | 141 Ų | 141 | 45.2 Ų | 45.2 | 53% | 0.532 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.4 | -54.9 | -169 | -56.4 | -166.3 | 178.6 | 171.9 | -2.3 | 115.4 | N1058 E1062 A1063 E1064 W1093 | N1058-R1060 PolarHBondContact O-N 3.45Å; R1060-E1062 VanDerWaalsContact C-N 3.32Å; R1060-E1062 PolarHBondContact O-N 3.17Å; R1060-A1063 PolarHBondContact O-N 3.43Å; R1060-E1064 WeakPolarHBondContact O-CG 3.37Å; R1060-E1064 PolarHBondContact O-N 3.34Å; R1060-E1064 VanDerWaalsContact O-N 3.12Å; R1060-W1093 HydrophobicContact CB-CD2 4.36Å; R1060-W1093 HydrophobicContact CB-CE3 3.89Å; R1060-W1093 HydrophobicContact CB-CH2 4.49Å; R1060-W1093 HydrophobicContact CB-CZ3 3.98Å; R1060-W1093 HydrophobicContact CG-CD2 3.69Å; R1060-W1093 HydrophobicContact CG-CE3 3.66Å; R1060-W1093 HydrophobicContact CG-CG 4.49Å; R1060-W1093 HydrophobicContact CG-CH2 3.86Å; R1060-W1093 HydrophobicContact CG-CZ2 3.85Å; R1060-W1093 HydrophobicContact CG-CZ3 3.76Å |
| 1061 | T | 79.1 | Confident | 85.9 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 66% | 0.656 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65.2 | -38.1 | -175.5 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | R1059 Q1065 | R1059-T1061 PolarHBondContact O-N 3.12Å; T1061-Q1065 VanDerWaalsContact O-CB 3.31Å; T1061-Q1065 WeakPolarHBondContact O-CB 3.46Å; T1061-Q1065 PolarHBondContact O-N 2.97Å |
| 1062 | E | 80.1 | Confident | 85.3 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 178.6 | -66.1 | 175.3 | -166.7 | 0 | 0 | 111.3 | C1054 R1059 R1060 Q1065 S1066 | C1054-E1062 HydrophobicContact CB-CB 4.33Å; R1059-E1062 HydrophobicContact CB-CB 4.28Å; R1059-E1062 VanDerWaalsContact CD-OE2 3.31Å; R1059-E1062 WeakPolarHBondContact CD-OE2 3.44Å; R1059-E1062 IonicContact CZ-OE2 3.77Å; R1059-E1062 IonicContact NE-OE2 2.78Å; R1059-E1062 IonicContact NH1-OE2 2.99Å; R1059-E1062 PolarHBondContact NH1-OE2 2.66Å; R1059-E1062 PolarHBondContact O-N 3.07Å; R1060-E1062 VanDerWaalsContact C-N 3.32Å; R1060-E1062 PolarHBondContact O-N 3.17Å; E1062-Q1065 PolarHBondContact O-N 3.48Å; E1062-S1066 VanDerWaalsContact O-CB 3.27Å; E1062-S1066 WeakPolarHBondContact O-CB 3.27Å; E1062-S1066 PolarHBondContact O-N 3.41Å; E1062-S1066 PolarHBondContact O-OG 2.93Å |
| 1063 | A | 82.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1051 C1054 L1055 R1059 R1060 S1066 F1067 W1093 | S1051-A1063 PolarHBondContact OG-O 2.76Å; S1051-A1063 VanDerWaalsContact OG-O 3.11Å; C1054-A1063 HydrophobicContact CB-CB 3.61Å; L1055-A1063 HydrophobicContact CD2-CB 4.17Å; L1055-A1063 HydrophobicContact CG-CB 4.08Å; R1059-A1063 WeakPolarHBondContact O-CB 3.43Å; R1059-A1063 PolarHBondContact O-N 3.41Å; R1060-A1063 PolarHBondContact O-N 3.43Å; A1063-S1066 PolarHBondContact O-N 3.13Å; A1063-F1067 WeakPolarHBondContact O-CB 3.46Å; A1063-F1067 PolarHBondContact O-N 3.48Å; A1063-W1093 HydrophobicContact CB-CZ3 3.79Å |
| 1064 | E | 83 | Confident | 84.2 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.9 | -70.3 | 178.5 | 178.5 | 0 | 0 | 111.8 | R1060 K1068 P1096 | R1060-E1064 WeakPolarHBondContact O-CG 3.37Å; R1060-E1064 PolarHBondContact O-N 3.34Å; R1060-E1064 VanDerWaalsContact O-N 3.12Å; E1064-K1068 WeakPolarHBondContact O-CB 3.34Å; E1064-K1068 PolarHBondContact O-N 3.08Å; E1064-P1096 HydrophobicContact CB-CB 4.46Å; E1064-P1096 HydrophobicContact CB-CG 4.32Å |
| 1065 | Q | 79.2 | Confident | 84 | Confident | 111 Ų | 111 | 63 Ų | 63 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -48.5 | 176.8 | -177.6 | 170.5 | -15.8 | 0 | 0 | 111.2 | T1061 E1062 F1067 K1068 Y1069 | T1061-Q1065 VanDerWaalsContact O-CB 3.31Å; T1061-Q1065 WeakPolarHBondContact O-CB 3.46Å; T1061-Q1065 PolarHBondContact O-N 2.97Å; E1062-Q1065 PolarHBondContact O-N 3.48Å; Q1065-F1067 VanDerWaalsContact C-N 3.33Å; Q1065-F1067 PolarHBondContact O-N 2.85Å; Q1065-K1068 WeakPolarHBondContact O-CB 3.16Å; Q1065-K1068 PolarHBondContact O-N 3.48Å; Q1065-Y1069 HydrophobicContact CG-CD2 3.92Å; Q1065-Y1069 HydrophobicContact CG-CE2 3.79Å; Q1065-Y1069 VanDerWaalsContact O-CD2 3.25Å; Q1065-Y1069 WeakPolarHBondContact O-CD2 3.14Å; Q1065-Y1069 PolarHBondContact O-N 2.95Å |
| 1066 | S | 80.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.2 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | E1062 A1063 K1068 Y1069 C1070 | E1062-S1066 VanDerWaalsContact O-CB 3.27Å; E1062-S1066 WeakPolarHBondContact O-CB 3.27Å; E1062-S1066 PolarHBondContact O-N 3.41Å; E1062-S1066 PolarHBondContact O-OG 2.93Å; A1063-S1066 PolarHBondContact O-N 3.13Å; S1066-K1068 PolarHBondContact O-N 3.24Å; S1066-Y1069 PolarHBondContact O-N 2.81Å; S1066-C1070 WeakPolarHBondContact O-CB 3.49Å; S1066-C1070 PolarHBondContact O-N 3.27Å |
| 1067 | F | 86.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175 | -173.9 | -107.1 | 0 | 0 | 0 | 112.2 | A1063 Q1065 Y1069 C1070 I1071 L1081 I1084 H1085 P1096 | A1063-F1067 WeakPolarHBondContact O-CB 3.46Å; A1063-F1067 PolarHBondContact O-N 3.48Å; Q1065-F1067 VanDerWaalsContact C-N 3.33Å; Q1065-F1067 PolarHBondContact O-N 2.85Å; F1067-Y1069 VanDerWaalsContact C-N 3.3Å; F1067-Y1069 PolarHBondContact O-N 2.61Å; F1067-C1070 VanDerWaalsContact O-CB 3.28Å; F1067-C1070 WeakPolarHBondContact O-CB 3.33Å; F1067-C1070 PolarHBondContact O-N 3.04Å; F1067-C1070 VanDerWaalsContact O-N 3.17Å; F1067-I1071 HydrophobicContact CD1-CG1 4.35Å; F1067-I1071 HydrophobicContact CE1-CD1 4.44Å; F1067-I1071 HydrophobicContact CE1-CG1 3.92Å; F1067-I1071 HydrophobicContact CE2-CD1 4.31Å; F1067-I1071 HydrophobicContact CE2-CG1 4.38Å; F1067-I1071 HydrophobicContact CZ-CD1 3.95Å; F1067-I1071 HydrophobicContact CZ-CG1 3.93Å; F1067-I1071 PolarHBondContact O-N 2.79Å; F1067-L1081 HydrophobicContact CE2-CD1 4.05Å; F1067-L1081 HydrophobicContact CZ-CD1 4.35Å; F1067-I1084 HydrophobicContact CD2-CG2 3.66Å; F1067-I1084 HydrophobicContact CE2-CD1 4.5Å; F1067-I1084 HydrophobicContact CE2-CG2 3.65Å; F1067-H1085 AromaticContact CZ-CE1 3.67Å; F1067-P1096 HydrophobicContact CD1-CG 4.46Å |
| 1068 | K | 82 | Confident | 83.1 | Confident | 106 Ų | 106 | 71.4 Ų | 71.4 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.7 | -175.3 | 175.4 | -173.3 | 163.9 | 0 | 112.2 | F529 E1064 Q1065 S1066 K1072 | F529-K1068 VanDerWaalsContact CE1-CE 3.42Å; F529-K1068 VanDerWaalsContact CE1-NZ 3.26Å; E1064-K1068 WeakPolarHBondContact O-CB 3.34Å; E1064-K1068 PolarHBondContact O-N 3.08Å; Q1065-K1068 WeakPolarHBondContact O-CB 3.16Å; Q1065-K1068 PolarHBondContact O-N 3.48Å; S1066-K1068 PolarHBondContact O-N 3.24Å; K1068-K1072 VanDerWaalsContact O-CB 3.28Å; K1068-K1072 WeakPolarHBondContact O-CB 3.47Å; K1068-K1072 PolarHBondContact O-N 2.98Å |
| 1069 | Y | 81.4 | Confident | 83.2 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 174.3 | -82.4 | -76 | 0 | 0 | 0 | 112.1 | T530 W1047 Q1065 S1066 F1067 I1071 K1072 M1073 | T530-Y1069 PolarHBondContact OG1-OH 3.08Å; W1047-Y1069 HydrophobicContact CD2-CG 4.45Å; W1047-Y1069 HydrophobicContact CH2-CD2 4.48Å; W1047-Y1069 HydrophobicContact CZ2-CG 4.33Å; Q1065-Y1069 HydrophobicContact CG-CD2 3.92Å; Q1065-Y1069 HydrophobicContact CG-CE2 3.79Å; Q1065-Y1069 VanDerWaalsContact O-CD2 3.25Å; Q1065-Y1069 WeakPolarHBondContact O-CD2 3.14Å; Q1065-Y1069 PolarHBondContact O-N 2.95Å; S1066-Y1069 PolarHBondContact O-N 2.81Å; F1067-Y1069 VanDerWaalsContact C-N 3.3Å; F1067-Y1069 PolarHBondContact O-N 2.61Å; Y1069-I1071 PolarHBondContact O-N 3.2Å; Y1069-K1072 HydrophobicContact CD1-CD 4.38Å; Y1069-K1072 HydrophobicContact CE1-CD 4.46Å; Y1069-K1072 PolarHBondContact O-N 3.12Å; Y1069-M1073 HydrophobicContact CD1-CE 4.12Å; Y1069-M1073 WeakPolarHBondContact O-CB 3.36Å; Y1069-M1073 VanDerWaalsContact O-CG 3.27Å; Y1069-M1073 WeakPolarHBondContact O-CG 3.3Å; Y1069-M1073 PolarHBondContact O-N 3.02Å |
| 1070 | C | 83.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54 | -50.2 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | P1044 W1047 S1066 F1067 M1073 K1074 L1075 | P1044-C1070 PolarHBondContact O-SG 3.47Å; W1047-C1070 HydrophobicContact CB-CB 3.82Å; S1066-C1070 WeakPolarHBondContact O-CB 3.49Å; S1066-C1070 PolarHBondContact O-N 3.27Å; F1067-C1070 VanDerWaalsContact O-CB 3.28Å; F1067-C1070 WeakPolarHBondContact O-CB 3.33Å; F1067-C1070 PolarHBondContact O-N 3.04Å; F1067-C1070 VanDerWaalsContact O-N 3.17Å; C1070-M1073 PolarHBondContact O-N 2.7Å; C1070-K1074 PolarHBondContact O-N 3.33Å; C1070-L1075 PolarHBondContact O-N 3.23Å |
| 1071 | I | 85.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 176.6 | -60.6 | -58.7 | 0 | 0 | 0 | 111.8 | F1067 Y1069 M1073 K1074 L1081 | F1067-I1071 HydrophobicContact CD1-CG1 4.35Å; F1067-I1071 HydrophobicContact CE1-CD1 4.44Å; F1067-I1071 HydrophobicContact CE1-CG1 3.92Å; F1067-I1071 HydrophobicContact CE2-CD1 4.31Å; F1067-I1071 HydrophobicContact CE2-CG1 4.38Å; F1067-I1071 HydrophobicContact CZ-CD1 3.95Å; F1067-I1071 HydrophobicContact CZ-CG1 3.93Å; F1067-I1071 PolarHBondContact O-N 2.79Å; Y1069-I1071 PolarHBondContact O-N 3.2Å; I1071-M1073 VanDerWaalsContact C-N 3.26Å; I1071-M1073 PolarHBondContact O-N 3.21Å; I1071-K1074 PolarHBondContact O-N 2.86Å; I1071-L1081 HydrophobicContact CD1-CD1 4.06Å |
| 1072 | K | 80 | Confident | 84.8 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 177.8 | -177.1 | 177.5 | 178.4 | 178.7 | 0 | 112.3 | K1068 Y1069 K1074 | K1068-K1072 VanDerWaalsContact O-CB 3.28Å; K1068-K1072 WeakPolarHBondContact O-CB 3.47Å; K1068-K1072 PolarHBondContact O-N 2.98Å; Y1069-K1072 HydrophobicContact CD1-CD 4.38Å; Y1069-K1072 HydrophobicContact CE1-CD 4.46Å; Y1069-K1072 PolarHBondContact O-N 3.12Å; K1072-K1074 VanDerWaalsContact C-N 3.26Å; K1072-K1074 PolarHBondContact O-N 2.95Å |
| 1073 | M | 81.3 | Confident | 85.4 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 4.7 | 178.2 | -61.8 | -54.8 | 158.8 | 0 | 0 | 113.4 | I532 R1042 P1044 Y1069 C1070 I1071 | I532-M1073 HydrophobicContact CD1-CE 3.93Å; I532-M1073 HydrophobicContact CG1-CE 4.03Å; R1042-M1073 HydrophobicContact CB-SD 4.15Å; R1042-M1073 HydrophobicContact CG-SD 4.3Å; P1044-M1073 HydrophobicContact CB-CB 3.95Å; Y1069-M1073 HydrophobicContact CD1-CE 4.12Å; Y1069-M1073 WeakPolarHBondContact O-CB 3.36Å; Y1069-M1073 VanDerWaalsContact O-CG 3.27Å; Y1069-M1073 WeakPolarHBondContact O-CG 3.3Å; Y1069-M1073 PolarHBondContact O-N 3.02Å; C1070-M1073 PolarHBondContact O-N 2.7Å; I1071-M1073 VanDerWaalsContact C-N 3.26Å; I1071-M1073 PolarHBondContact O-N 3.21Å |
| 1074 | K | 82.9 | Confident | 85.9 | Confident | 164 Ų | 164 | 64.8 Ų | 64.8 | 71% | 0.713 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 70.2 | 176.9 | -57 | -177.9 | 177.1 | -176 | 0 | 113.2 | C1070 I1071 K1072 N1076 | C1070-K1074 PolarHBondContact O-N 3.33Å; I1071-K1074 PolarHBondContact O-N 2.86Å; K1072-K1074 VanDerWaalsContact C-N 3.26Å; K1072-K1074 PolarHBondContact O-N 2.95Å; K1074-N1076 PolarHBondContact O-N 3.32Å |
| 1075 | L | 85.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | trans | -61.9 | 119.6 | 167.4 | -173.6 | 69.1 | 0 | 0 | 0 | 110.2 | P1044 E1045 A1048 C1070 D1077 L1080 L1081 I1084 | P1044-L1075 HydrophobicContact CB-CB 3.89Å; P1044-L1075 HydrophobicContact CB-CD1 3.91Å; P1044-L1075 HydrophobicContact CG-CD1 4.15Å; E1045-L1075 HydrophobicContact CG-CD1 3.87Å; A1048-L1075 HydrophobicContact CB-CD2 4.18Å; C1070-L1075 PolarHBondContact O-N 3.23Å; L1075-D1077 HydrophobicContact CD1-CB 4.16Å; L1075-D1077 HydrophobicContact CG-CB 4.32Å; L1075-L1080 HydrophobicContact CD1-CD2 4.22Å; L1075-L1080 HydrophobicContact CD2-CB 4.42Å; L1075-L1080 HydrophobicContact CD2-CD2 4.28Å; L1075-L1080 HydrophobicContact CD2-CG 4.33Å; L1075-L1081 HydrophobicContact CD2-CB 4.27Å; L1075-I1084 HydrophobicContact CD2-CD1 4.47Å | ||
| 1076 | N | 82.2 | Confident | 86.9 | Confident | 148 Ų | 148 | 63.8 Ų | 63.8 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | trans | -91.9 | -17.4 | 177 | -69.1 | -17 | 0 | 0 | 0 | 113.1 | K1074 T1078 | K1074-N1076 PolarHBondContact O-N 3.32Å; N1076-T1078 PolarHBondContact O-N 3.47Å | ||
| 1077 | D | 87.7 | Confident | 87.4 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | trans | -73.2 | 104.7 | -179.7 | -174.5 | -17 | 0 | 0 | 0 | 110.8 | L1075 E1079 L1080 L1081 | L1075-D1077 HydrophobicContact CD1-CB 4.16Å; L1075-D1077 HydrophobicContact CG-CB 4.32Å; D1077-E1079 PolarHBondContact OD1-N 2.91Å; D1077-L1080 HydrophobicContact CB-CB 4Å; D1077-L1080 VanDerWaalsContact CG-CB 3.46Å; D1077-L1080 PolarHBondContact OD1-N 3.37Å; D1077-L1080 WeakPolarHBondContact OD2-CB 3.32Å; D1077-L1081 WeakPolarHBondContact O-CB 3.3Å; D1077-L1081 PolarHBondContact O-N 3.09Å | ||
| 1078 | T | 88.8 | Confident | 87.6 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.1 | -31.3 | -179.5 | 51.6 | 0 | 0 | 0 | 0 | 113 | N1076 N1082 | N1076-T1078 PolarHBondContact O-N 3.47Å; T1078-N1082 PolarHBondContact O-N 2.92Å; T1078-N1082 PolarHBondContact O-ND2 3.36Å |
| 1079 | E | 91.2 | Very high | 87.9 | Confident | 154 Ų | 154 | 66.9 Ų | 66.9 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | -179.8 | -65.3 | -175.4 | 176.3 | 0 | 0 | 110 | D1077 L1081 N1082 E1083 | D1077-E1079 PolarHBondContact OD1-N 2.91Å; E1079-L1081 VanDerWaalsContact C-N 3.3Å; E1079-L1081 PolarHBondContact O-N 3.12Å; E1079-N1082 PolarHBondContact O-N 2.76Å; E1079-E1083 PolarHBondContact O-N 2.92Å |
| 1080 | L | 92.8 | Very high | 88.3 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 176.2 | -173.8 | 59.9 | 0 | 0 | 0 | 112.1 | E1045 A1048 Y1049 M1052 L1075 D1077 E1083 I1084 | E1045-L1080 HydrophobicContact CB-CD2 4.45Å; E1045-L1080 HydrophobicContact CG-CD2 4.27Å; A1048-L1080 HydrophobicContact CB-CD2 3.58Å; A1048-L1080 HydrophobicContact CB-CG 3.98Å; Y1049-L1080 HydrophobicContact CD2-CD2 4.41Å; Y1049-L1080 HydrophobicContact CE1-CD1 4.41Å; Y1049-L1080 HydrophobicContact CE2-CD1 3.95Å; Y1049-L1080 HydrophobicContact CE2-CD2 3.9Å; M1052-L1080 HydrophobicContact CE-CD1 3.49Å; M1052-L1080 VanDerWaalsContact CE-CD1 3.49Å; M1052-L1080 HydrophobicContact SD-CD1 4.24Å; L1075-L1080 HydrophobicContact CD1-CD2 4.22Å; L1075-L1080 HydrophobicContact CD2-CB 4.42Å; L1075-L1080 HydrophobicContact CD2-CD2 4.28Å; L1075-L1080 HydrophobicContact CD2-CG 4.33Å; D1077-L1080 HydrophobicContact CB-CB 4Å; D1077-L1080 VanDerWaalsContact CG-CB 3.46Å; D1077-L1080 PolarHBondContact OD1-N 3.37Å; D1077-L1080 WeakPolarHBondContact OD2-CB 3.32Å; L1080-E1083 WeakPolarHBondContact O-CB 3.45Å; L1080-E1083 PolarHBondContact O-N 3.22Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.11Å; L1080-I1084 PolarHBondContact O-N 3.45Å |
| 1081 | L | 92.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.4 | -172.2 | 64.5 | 0 | 0 | 0 | 112 | F1067 I1071 L1075 D1077 E1079 E1083 I1084 H1085 | F1067-L1081 HydrophobicContact CE2-CD1 4.05Å; F1067-L1081 HydrophobicContact CZ-CD1 4.35Å; I1071-L1081 HydrophobicContact CD1-CD1 4.06Å; L1075-L1081 HydrophobicContact CD2-CB 4.27Å; D1077-L1081 WeakPolarHBondContact O-CB 3.3Å; D1077-L1081 PolarHBondContact O-N 3.09Å; E1079-L1081 VanDerWaalsContact C-N 3.3Å; E1079-L1081 PolarHBondContact O-N 3.12Å; L1081-E1083 VanDerWaalsContact C-N 3.31Å; L1081-E1083 PolarHBondContact O-N 3.24Å; L1081-I1084 PolarHBondContact O-N 2.93Å; L1081-H1085 PolarHBondContact O-CD2 3.37Å; L1081-H1085 PolarHBondContact O-N 2.89Å |
| 1082 | N | 91.5 | Very high | 88.4 | Confident | 98 Ų | 98 | 74.2 Ų | 74.2 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 174.9 | -72.4 | -24.9 | 0 | 0 | 0 | 112.1 | T1078 E1079 H1085 T1086 | T1078-N1082 PolarHBondContact O-N 2.92Å; T1078-N1082 PolarHBondContact O-ND2 3.36Å; E1079-N1082 PolarHBondContact O-N 2.76Å; N1082-H1085 PolarHBondContact O-N 3.26Å; N1082-T1086 WeakPolarHBondContact O-CB 3.32Å; N1082-T1086 PolarHBondContact O-N 3.5Å; N1082-T1086 PolarHBondContact O-OG1 2.88Å |
| 1083 | E | 93.7 | Very high | 88.6 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.7 | -170.2 | -178.7 | 172.2 | 0 | 0 | 111.4 | R1022 M1052 E1079 L1080 L1081 H1085 T1086 L1087 | R1022-E1083 IonicContact CZ-OE1 3.89Å; R1022-E1083 IonicContact CZ-OE2 3.84Å; R1022-E1083 IonicContact NH1-OE1 2.68Å; R1022-E1083 PolarHBondContact NH1-OE1 3.09Å; R1022-E1083 IonicContact NH1-OE2 3.6Å; R1022-E1083 PolarHBondContact NH1-OE2 2.82Å; R1022-E1083 IonicContact NH2-OE1 3.68Å; R1022-E1083 PolarHBondContact NH2-OE1 3.39Å; R1022-E1083 IonicContact NH2-OE2 2.75Å; R1022-E1083 PolarHBondContact NH2-OE2 3.46Å; M1052-E1083 HydrophobicContact SD-CB 4.4Å; M1052-E1083 HydrophobicContact SD-CG 3.95Å; E1079-E1083 PolarHBondContact O-N 2.92Å; L1080-E1083 WeakPolarHBondContact O-CB 3.45Å; L1080-E1083 PolarHBondContact O-N 3.22Å; L1081-E1083 VanDerWaalsContact C-N 3.31Å; L1081-E1083 PolarHBondContact O-N 3.24Å; E1083-H1085 VanDerWaalsContact C-N 3.31Å; E1083-H1085 PolarHBondContact O-N 3.31Å; E1083-T1086 PolarHBondContact O-N 3.36Å; E1083-L1087 PolarHBondContact O-N 2.81Å |
| 1084 | I | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.7 | -65.6 | 160.1 | 0 | 0 | 0 | 110.6 | A1048 M1052 L1055 F1067 L1075 L1080 L1081 T1086 L1087 Q1088 | A1048-I1084 HydrophobicContact CB-CD1 3.69Å; M1052-I1084 HydrophobicContact CG-CB 4.45Å; M1052-I1084 HydrophobicContact CG-CG1 3.58Å; M1052-I1084 HydrophobicContact SD-CG1 3.84Å; L1055-I1084 HydrophobicContact CD1-CG2 4.39Å; F1067-I1084 HydrophobicContact CD2-CG2 3.66Å; F1067-I1084 HydrophobicContact CE2-CD1 4.5Å; F1067-I1084 HydrophobicContact CE2-CG2 3.65Å; L1075-I1084 HydrophobicContact CD2-CD1 4.47Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.11Å; L1080-I1084 PolarHBondContact O-N 3.45Å; L1081-I1084 PolarHBondContact O-N 2.93Å; I1084-T1086 PolarHBondContact O-N 2.79Å; I1084-L1087 PolarHBondContact O-N 2.76Å; I1084-Q1088 HydrophobicContact CG2-CG 4.15Å; I1084-Q1088 WeakPolarHBondContact O-CB 3.29Å; I1084-Q1088 VanDerWaalsContact O-CG 3.23Å; I1084-Q1088 WeakPolarHBondContact O-CG 3.31Å; I1084-Q1088 PolarHBondContact O-N 3.06Å |
| 1085 | H | 91.2 | Very high | 88.3 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | -180 | -73.9 | -40.5 | 0 | 0 | 0 | 112.8 | F1067 L1081 N1082 E1083 Q1088 M1089 | F1067-H1085 AromaticContact CZ-CE1 3.67Å; L1081-H1085 PolarHBondContact O-CD2 3.37Å; L1081-H1085 PolarHBondContact O-N 2.89Å; N1082-H1085 PolarHBondContact O-N 3.26Å; E1083-H1085 VanDerWaalsContact C-N 3.31Å; E1083-H1085 PolarHBondContact O-N 3.31Å; H1085-Q1088 PolarHBondContact ND1-OE1 3.32Å; H1085-Q1088 PolarHBondContact O-N 3.17Å; H1085-M1089 VanDerWaalsContact O-CG 3.28Å; H1085-M1089 WeakPolarHBondContact O-CG 3.34Å; H1085-M1089 PolarHBondContact O-N 3.35Å |
| 1086 | T | 91.5 | Very high | 87.4 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | N1082 E1083 I1084 Q1088 M1089 E1090 | N1082-T1086 WeakPolarHBondContact O-CB 3.32Å; N1082-T1086 PolarHBondContact O-N 3.5Å; N1082-T1086 PolarHBondContact O-OG1 2.88Å; E1083-T1086 PolarHBondContact O-N 3.36Å; I1084-T1086 PolarHBondContact O-N 2.79Å; T1086-Q1088 PolarHBondContact O-N 3.26Å; T1086-M1089 WeakPolarHBondContact O-CB 3.4Å; T1086-M1089 PolarHBondContact O-N 3.17Å; T1086-M1089 VanDerWaalsContact O-N 3.15Å; T1086-E1090 WeakPolarHBondContact O-CG 3.2Å; T1086-E1090 PolarHBondContact O-N 3.47Å |
| 1087 | L | 91.5 | Very high | 86.6 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.6 | -171.2 | 65.2 | 0 | 0 | 0 | 112.5 | M1052 L1055 K1056 E1083 I1084 M1089 E1090 V1091 | M1052-L1087 HydrophobicContact CB-CD2 3.98Å; M1052-L1087 HydrophobicContact CG-CD2 4.22Å; L1055-L1087 HydrophobicContact CB-CD2 3.62Å; L1055-L1087 HydrophobicContact CB-CG 3.99Å; L1055-L1087 HydrophobicContact CD1-CB 4.32Å; L1055-L1087 HydrophobicContact CD1-CD2 3.86Å; L1055-L1087 HydrophobicContact CD1-CG 4.08Å; L1055-L1087 HydrophobicContact CG-CD2 4.38Å; K1056-L1087 HydrophobicContact CG-CD1 4.3Å; K1056-L1087 HydrophobicContact CG-CD2 4.13Å; E1083-L1087 PolarHBondContact O-N 2.81Å; I1084-L1087 PolarHBondContact O-N 2.76Å; L1087-M1089 VanDerWaalsContact C-N 3.32Å; L1087-M1089 PolarHBondContact O-N 3.24Å; L1087-E1090 PolarHBondContact O-N 3.06Å; L1087-V1091 HydrophobicContact CD1-CG2 4.35Å; L1087-V1091 VanDerWaalsContact O-CB 3.3Å; L1087-V1091 WeakPolarHBondContact O-CB 3.49Å; L1087-V1091 VanDerWaalsContact O-CG2 3.27Å; L1087-V1091 WeakPolarHBondContact O-CG2 3.28Å; L1087-V1091 PolarHBondContact O-N 3.15Å |
| 1088 | Q | 91.2 | Very high | 85.2 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 173.2 | -74.8 | 169 | -17.5 | 0 | 0 | 112 | L1055 I1084 H1085 T1086 G1092 W1093 G1094 | L1055-Q1088 HydrophobicContact CD1-CG 3.76Å; L1055-Q1088 HydrophobicContact CD2-CG 4.17Å; I1084-Q1088 HydrophobicContact CG2-CG 4.15Å; I1084-Q1088 WeakPolarHBondContact O-CB 3.29Å; I1084-Q1088 VanDerWaalsContact O-CG 3.23Å; I1084-Q1088 WeakPolarHBondContact O-CG 3.31Å; I1084-Q1088 PolarHBondContact O-N 3.06Å; H1085-Q1088 PolarHBondContact ND1-OE1 3.32Å; H1085-Q1088 PolarHBondContact O-N 3.17Å; T1086-Q1088 PolarHBondContact O-N 3.26Å; Q1088-G1092 WeakPolarHBondContact O-CA 3.42Å; Q1088-G1092 PolarHBondContact O-N 3Å; Q1088-W1093 PolarHBondContact O-N 2.88Å; Q1088-G1094 PolarHBondContact NE2-O 3.44Å; Q1088-G1094 VanDerWaalsContact NE2-O 3.16Å |
| 1089 | M | 88.5 | Confident | 83.2 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.2 | -41.4 | 176.7 | -71.8 | -63.6 | -65.7 | 0 | 0 | 112.1 | H1085 T1086 L1087 V1091 | H1085-M1089 VanDerWaalsContact O-CG 3.28Å; H1085-M1089 WeakPolarHBondContact O-CG 3.34Å; H1085-M1089 PolarHBondContact O-N 3.35Å; T1086-M1089 WeakPolarHBondContact O-CB 3.4Å; T1086-M1089 PolarHBondContact O-N 3.17Å; T1086-M1089 VanDerWaalsContact O-N 3.15Å; L1087-M1089 VanDerWaalsContact C-N 3.32Å; L1087-M1089 PolarHBondContact O-N 3.24Å; M1089-V1091 VanDerWaalsContact C-N 3.33Å; M1089-V1091 PolarHBondContact O-N 3.4Å |
| 1090 | E | 88.5 | Confident | 80.7 | Confident | 144 Ų | 144 | 66.1 Ų | 66.1 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 175.8 | -72.8 | 175.6 | 179.9 | 0 | 0 | 112.2 | T1086 L1087 | T1086-E1090 WeakPolarHBondContact O-CG 3.2Å; T1086-E1090 PolarHBondContact O-N 3.47Å; L1087-E1090 PolarHBondContact O-N 3.06Å |
| 1091 | V | 88.7 | Confident | 78 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -85.9 | -23.8 | -176.6 | 173 | 0 | 0 | 0 | 0 | 112.2 | L1055 L1087 M1089 W1093 | L1055-V1091 HydrophobicContact CD2-CG1 4.49Å; L1087-V1091 HydrophobicContact CD1-CG2 4.35Å; L1087-V1091 VanDerWaalsContact O-CB 3.3Å; L1087-V1091 WeakPolarHBondContact O-CB 3.49Å; L1087-V1091 VanDerWaalsContact O-CG2 3.27Å; L1087-V1091 WeakPolarHBondContact O-CG2 3.28Å; L1087-V1091 PolarHBondContact O-N 3.15Å; M1089-V1091 VanDerWaalsContact C-N 3.33Å; M1089-V1091 PolarHBondContact O-N 3.4Å; V1091-W1093 HydrophobicContact CG1-CD2 3.72Å; V1091-W1093 HydrophobicContact CG1-CE3 4.42Å; V1091-W1093 HydrophobicContact CG1-CG 4.09Å; V1091-W1093 HydrophobicContact CG1-CH2 4.01Å; V1091-W1093 HydrophobicContact CG1-CZ2 3.24Å; V1091-W1093 PolarHBondContact O-NE1 3.09Å |
| 1092 | G | 82.6 | Confident | 75.1 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 65% | 0.649 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 10.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q1088 | Q1088-G1092 WeakPolarHBondContact O-CA 3.42Å; Q1088-G1092 PolarHBondContact O-N 3Å |
| 1093 | W | 84.2 | Confident | 72.4 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 11% | 0.106 | 39% | 0.392 | C | S | . | . | trans | -155.2 | 178.2 | 178.3 | 51.8 | -90.6 | 0 | 0 | 0 | 110.9 | L1055 N1058 R1060 A1063 Q1088 V1091 | L1055-W1093 HydrophobicContact CD2-CE3 4.01Å; L1055-W1093 HydrophobicContact CD2-CH2 4.23Å; L1055-W1093 HydrophobicContact CD2-CZ3 3.7Å; N1058-W1093 HydrophobicContact CB-CZ2 4.4Å; N1058-W1093 WeakPolarHBondContact OD1-CZ2 3.34Å; R1060-W1093 HydrophobicContact CB-CD2 4.36Å; R1060-W1093 HydrophobicContact CB-CE3 3.89Å; R1060-W1093 HydrophobicContact CB-CH2 4.49Å; R1060-W1093 HydrophobicContact CB-CZ3 3.98Å; R1060-W1093 HydrophobicContact CG-CD2 3.69Å; R1060-W1093 HydrophobicContact CG-CE3 3.66Å; R1060-W1093 HydrophobicContact CG-CG 4.49Å; R1060-W1093 HydrophobicContact CG-CH2 3.86Å; R1060-W1093 HydrophobicContact CG-CZ2 3.85Å; R1060-W1093 HydrophobicContact CG-CZ3 3.76Å; A1063-W1093 HydrophobicContact CB-CZ3 3.79Å; Q1088-W1093 PolarHBondContact O-N 2.88Å; V1091-W1093 HydrophobicContact CG1-CD2 3.72Å; V1091-W1093 HydrophobicContact CG1-CE3 4.42Å; V1091-W1093 HydrophobicContact CG1-CG 4.09Å; V1091-W1093 HydrophobicContact CG1-CH2 4.01Å; V1091-W1093 HydrophobicContact CG1-CZ2 3.24Å; V1091-W1093 PolarHBondContact O-NE1 3.09Å | ||
| 1094 | G | 76.8 | Confident | 69.6 | Low | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | trans | 101.8 | -11.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1088 P1096 | Q1088-G1094 PolarHBondContact NE2-O 3.44Å; Q1088-G1094 VanDerWaalsContact NE2-O 3.16Å; G1094-P1096 WeakPolarHBondContact O-CD 3.17Å | ||
| 1095 | N | 80.3 | Confident | 66.8 | Low | 32 Ų | 32 | 89.5 Ų | 89.5 | 17% | 0.171 | 46% | 0.461 | C | S | . | . | trans | -96.1 | 99.8 | 164.1 | -172.4 | -6.1 | 0 | 0 | 0 | 109.9 | L1097 A1098 | N1095-L1097 PolarHBondContact O-N 2.95Å; N1095-L1097 VanDerWaalsContact O-N 3.09Å; N1095-L1097 WeakPolarHBondContact OD1-CA 3.22Å; N1095-L1097 VanDerWaalsContact OD1-CB 3.26Å; N1095-L1097 WeakPolarHBondContact OD1-CB 3.48Å; N1095-L1097 PolarHBondContact OD1-N 3.08Å; N1095-A1098 HydrophobicContact CB-CB 3.78Å; N1095-A1098 WeakPolarHBondContact O-CB 3.43Å; N1095-A1098 PolarHBondContact O-N 3.46Å | ||
| 1096 | P | 68 | Low | 63.9 | Low | 37 Ų | 37 | 97.9 Ų | 97.9 | 24% | 0.24 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.9 | 177.3 | 25.6 | -32.6 | 0 | 0 | 0 | 113.3 | E1064 F1067 G1094 | E1064-P1096 HydrophobicContact CB-CB 4.46Å; E1064-P1096 HydrophobicContact CB-CG 4.32Å; F1067-P1096 HydrophobicContact CD1-CG 4.46Å; G1094-P1096 WeakPolarHBondContact O-CD 3.17Å |
| 1097 | L | 66.2 | Low | 62.5 | Low | 113 Ų | 113 | 99 Ų | 99 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -20.9 | 174 | -55.8 | 171.9 | 0 | 0 | 0 | 112.5 | N1095 W1100 | N1095-L1097 PolarHBondContact O-N 2.95Å; N1095-L1097 VanDerWaalsContact O-N 3.09Å; N1095-L1097 WeakPolarHBondContact OD1-CA 3.22Å; N1095-L1097 VanDerWaalsContact OD1-CB 3.26Å; N1095-L1097 WeakPolarHBondContact OD1-CB 3.48Å; N1095-L1097 PolarHBondContact OD1-N 3.08Å; L1097-W1100 PolarHBondContact O-N 3.14Å |
| 1098 | A | 56.8 | Low | 60.9 | Low | 40 Ų | 40 | 103.2 Ų | 103.2 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -73.4 | -26.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1095 W1100 V1101 T1102 | N1095-A1098 HydrophobicContact CB-CB 3.78Å; N1095-A1098 WeakPolarHBondContact O-CB 3.43Å; N1095-A1098 PolarHBondContact O-N 3.46Å; A1098-W1100 PolarHBondContact O-N 3.49Å; A1098-V1101 PolarHBondContact O-N 3.07Å; A1098-T1102 PolarHBondContact O-N 3.09Å |
| 1099 | Y | 47.6 | Very low | 59.3 | Low | 145 Ų | 145 | 108.4 Ų | 108.4 | 57% | 0.569 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -58.9 | -14.3 | 176.2 | -83.9 | -78.5 | 0 | 0 | 0 | 113.9 | ||
| 1100 | W | 38.7 | Very low | 57.5 | Low | 209 Ų | 209 | 105.5 Ų | 105.5 | 79% | 0.792 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -90.3 | -11.8 | 177.7 | -62.2 | 90 | 0 | 0 | 0 | 114 | L1097 A1098 | L1097-W1100 PolarHBondContact O-N 3.14Å; A1098-W1100 PolarHBondContact O-N 3.49Å |
| 1101 | V | 35.2 | Very low | 55.6 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -34.3 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | A1098 | A1098-V1101 PolarHBondContact O-N 3.07Š|
| 1102 | T | 32.6 | Very low | 53.4 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -87.7 | -14.7 | -173.2 | 49.7 | 0 | 0 | 0 | 0 | 115.5 | A1098 Y1104 | A1098-T1102 PolarHBondContact O-N 3.09Å; T1102-Y1104 PolarHBondContact O-N 2.95Å |
| 1103 | S | 34 | Very low | 51.3 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 57% | 0.573 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -77.3 | 3.3 | 173.8 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1104 | Y | 35.2 | Very low | 48.8 | Very low | 211 Ų | 211 | 116.1 Ų | 116.1 | 83% | 0.827 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -102 | -10.5 | 178.6 | -119.9 | -83.8 | 0 | 0 | 0 | 114.4 | T1102 | T1102-Y1104 PolarHBondContact O-N 2.95Š|
| 1105 | E | 33.3 | Very low | 46.4 | Very low | 192 Ų | 192 | 125.8 Ų | 125.8 | 90% | 0.897 | 62% | 0.615 | S | S | * | * | trans | -106.4 | 0.7 | 176.2 | -75.5 | -168.1 | 163.3 | 0 | 0 | 114.5 | ||||
| 1106 | Q | 29.7 | Very low | 43.4 | Very low | 238 Ų | 238 | 134.3 Ų | 134.3 | 100% | 1.112 | 66% | 0.656 | S | S | * | * | trans | -112 | 0 | 165.1 | -72.9 | -173.2 | -5.8 | 0 | 0 | 109.8 |
Retrieved 1,106 of 1,106 residues in 1817.8 ms
(Link to these results)