| 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 | 39.5 | Very low | 51.6 | Low | 177 Ų | 177 | 107 Ų | 107 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | 0 | -23.4 | 0 | -68.5 | -161.2 | -156.9 | 0 | 0 | 113.9 | K3 D4 | M1-K3 PolarHBondContact O-N 3.18Å; M1-D4 PolarHBondContact O-N 2.92Å | |||
| 2 | T | 43.5 | Very low | 54.4 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.2 | 170 | 25.4 | 0 | 0 | 0 | 0 | 113.9 | D4 I5 | T2-D4 VanDerWaalsContact C-N 3.26Å; T2-D4 PolarHBondContact O-N 3.35Å; T2-I5 HydrophobicContact CG2-CD1 4.44Å; T2-I5 PolarHBondContact O-N 3.4Å |
| 3 | K | 40.8 | Very low | 57 | Low | 184 Ų | 184 | 93.5 Ų | 93.5 | 80% | 0.8 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.6 | 172.5 | -74.1 | -172.3 | 176.4 | -179.6 | 0 | 114 | M1 C6 | M1-K3 PolarHBondContact O-N 3.18Å; K3-C6 PolarHBondContact O-N 3.02Å |
| 4 | D | 44.3 | Very low | 59.4 | Low | 125 Ų | 125 | 91.2 Ų | 91.2 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -82.6 | -18.8 | -177.3 | -60.6 | -42.4 | 0 | 0 | 0 | 112.8 | M1 T2 C6 | M1-D4 PolarHBondContact O-N 2.92Å; T2-D4 VanDerWaalsContact C-N 3.26Å; T2-D4 PolarHBondContact O-N 3.35Å; D4-C6 PolarHBondContact O-N 2.94Å |
| 5 | I | 47 | Very low | 61.5 | Low | 61 Ų | 61 | 85.3 Ų | 85.3 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -63.7 | -22.1 | 169 | -58.1 | 173.8 | 0 | 0 | 0 | 110.4 | T2 Q7 V158 | T2-I5 HydrophobicContact CG2-CD1 4.44Å; T2-I5 PolarHBondContact O-N 3.4Å; I5-Q7 PolarHBondContact O-N 3.09Å; I5-V158 HydrophobicContact CG1-CG1 4.41Å |
| 6 | C | 41.6 | Very low | 63.3 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -98.8 | 33 | -166.5 | -57.2 | 0 | 0 | 0 | 0 | 114.9 | K3 D4 I8 | K3-C6 PolarHBondContact O-N 3.02Å; D4-C6 PolarHBondContact O-N 2.94Å; C6-I8 PolarHBondContact O-N 3.12Å |
| 7 | Q | 48.4 | Very low | 64.9 | Low | 154 Ų | 154 | 77.6 Ų | 77.6 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | trans | -63.4 | 128.3 | 162.1 | -79.9 | -168.2 | -2.4 | 0 | 0 | 109.1 | I5 N9 | I5-Q7 PolarHBondContact O-N 3.09Å; Q7-N9 PolarHBondContact O-N 2.75Å | ||
| 8 | I | 47.9 | Very low | 66 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 68% | 0.677 | 39% | 0.385 | S | S | * | . | trans | -63.5 | 97.3 | -169.9 | -57.2 | 167.6 | 0 | 0 | 0 | 109.8 | C6 | C6-I8 PolarHBondContact O-N 3.12Š| ||
| 9 | N | 62.6 | Low | 67 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | trans | -131.8 | 98.9 | 170.6 | -75.2 | -35.3 | 0 | 0 | 0 | 109.5 | Q7 R11 T69 | Q7-N9 PolarHBondContact O-N 2.75Å; N9-R11 HydrophobicContact CB-CG 4.43Å; N9-R11 PolarHBondContact ND2-NH2 3.23Å; N9-R11 PolarHBondContact O-N 3.49Å; N9-T69 PolarHBondContact O-OG1 3.42Å | ||
| 10 | L | 73 | Confident | 67.9 | Low | 111 Ų | 111 | 73.6 Ų | 73.6 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.5 | 156.5 | -132.2 | 107.6 | 0 | 0 | 0 | 106.3 | E66 | L10-E66 HydrophobicContact CD2-CB 4.06Å; L10-E66 HydrophobicContact CD2-CG 4.28Å |
| 11 | R | 79.5 | Confident | 68.7 | Low | 41 Ų | 41 | 71.5 Ų | 71.5 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.7 | 179.5 | -66 | -59.6 | -166.2 | -163 | 8.9 | 109.3 | N9 L67 T69 I149 L153 | N9-R11 HydrophobicContact CB-CG 4.43Å; N9-R11 PolarHBondContact ND2-NH2 3.23Å; N9-R11 PolarHBondContact O-N 3.49Å; R11-L67 PolarHBondContact N-O 2.88Å; R11-L67 PolarHBondContact O-N 3.47Å; R11-T69 HydrophobicContact CG-CG2 3.89Å; R11-I149 HydrophobicContact CB-CD1 3.98Å; R11-I149 HydrophobicContact CG-CD1 4.33Å; R11-L153 HydrophobicContact CB-CD1 4.32Å; R11-L153 HydrophobicContact CG-CD1 4.22Å |
| 12 | T | 85.1 | Confident | 70.5 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 111.8 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | K64 | T12-K64 HydrophobicContact CG2-CB 3.99Å; T12-K64 HydrophobicContact CG2-CD 4.32Å; T12-K64 HydrophobicContact CG2-CG 4.22Å |
| 13 | I | 87.6 | Confident | 72.1 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124 | 172.9 | -54.6 | 177.5 | 0 | 0 | 0 | 107.1 | I15 K64 Y65 L67 L78 L115 V147 I149 | I13-I15 HydrophobicContact CG2-CD1 4.37Å; I13-I15 HydrophobicContact CG2-CG1 4.02Å; I13-K64 WeakPolarHBondContact O-CA 3.42Å; I13-Y65 HydrophobicContact CD1-CD1 4.02Å; I13-Y65 PolarHBondContact N-O 3.34Å; I13-Y65 PolarHBondContact O-N 3.29Å; I13-L67 HydrophobicContact CD1-CD2 4.35Å; I13-L78 HydrophobicContact CD1-CD1 3.93Å; I13-L78 HydrophobicContact CD1-CD2 4.07Å; I13-L115 HydrophobicContact CD1-CD1 3.69Å; I13-L115 HydrophobicContact CG1-CD1 4.14Å; I13-L115 HydrophobicContact CG2-CD1 3.68Å; I13-V147 HydrophobicContact CG2-CG1 3.71Å; I13-I149 HydrophobicContact CG1-CD1 4.42Å |
| 14 | Q | 90.3 | Very high | 73.6 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.1 | 175 | -60 | -171.7 | 16.8 | 0 | 0 | 108.6 | V62 V147 S148 | Q14-V62 HydrophobicContact CB-CG1 3.98Å; Q14-V62 HydrophobicContact CG-CG1 4.48Å; Q14-V147 WeakPolarHBondContact O-CA 3.36Å; Q14-S148 PolarHBondContact N-O 3.04Å; Q14-S148 PolarHBondContact O-N 3.38Å |
| 15 | I | 91.2 | Very high | 74.7 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 99 | -178.7 | -60.7 | 165.3 | 0 | 0 | 0 | 106.1 | I13 L36 V62 F63 F83 F110 I145 V147 | I13-I15 HydrophobicContact CG2-CD1 4.37Å; I13-I15 HydrophobicContact CG2-CG1 4.02Å; I15-L36 HydrophobicContact CB-CD2 4.16Å; I15-L36 HydrophobicContact CD1-CD2 3.58Å; I15-L36 HydrophobicContact CG1-CD2 4.46Å; I15-L36 HydrophobicContact CG2-CD2 3.98Å; I15-V62 WeakPolarHBondContact O-CA 3.27Å; I15-F63 HydrophobicContact CB-CB 4.28Å; I15-F63 PolarHBondContact N-O 2.77Å; I15-F63 PolarHBondContact O-N 3Å; I15-F83 HydrophobicContact CD1-CD1 3.99Å; I15-F83 HydrophobicContact CD1-CE1 3.8Å; I15-F83 HydrophobicContact CD1-CZ 4.26Å; I15-F110 HydrophobicContact CD1-CE2 4.45Å; I15-F110 HydrophobicContact CD1-CZ 4.19Å; I15-F110 HydrophobicContact CG2-CZ 3.9Å; I15-I145 HydrophobicContact CG2-CG2 3.76Å; I15-V147 HydrophobicContact CG1-CG1 4.17Å; I15-V147 HydrophobicContact CG1-CG2 4.33Å; I15-V147 HydrophobicContact CG2-CG2 4.37Å |
| 16 | H | 91.2 | Very high | 75.5 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 18% | 0.181 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 108.5 | -178 | -177.4 | -156.3 | 0 | 0 | 0 | 110 | Q18 D60 V62 I145 L146 | H16-Q18 VanDerWaalsContact CE1-CG 3.44Å; H16-Q18 WeakPolarHBondContact CE1-CG 3.39Å; H16-Q18 PolarHBondContact ND1-NE2 3.44Å; H16-D60 IonicContact CD2-OD1 3.38Å; H16-D60 IonicContact CE1-OD1 3.58Å; H16-D60 PolarHBondContact CE1-OD1 3.26Å; H16-D60 IonicContact NE2-OD1 3.4Å; H16-D60 PolarHBondContact NE2-OD1 3.48Å; H16-V62 HydrophobicContact CB-CG2 4.12Å; H16-I145 WeakPolarHBondContact O-CA 3.49Å; H16-L146 HydrophobicContact CB-CB 4.28Å; H16-L146 WeakPolarHBondContact CB-O 3.43Å; H16-L146 PolarHBondContact N-O 2.98Å; H16-L146 PolarHBondContact O-N 2.85Å |
| 17 | L | 89.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.3 | 172 | -179.2 | 69.1 | 0 | 0 | 0 | 108.5 | V34 I59 D60 H61 F63 L85 V143 I145 | L17-V34 HydrophobicContact CD2-CB 3.87Å; L17-V34 HydrophobicContact CD2-CG1 3.74Å; L17-V34 HydrophobicContact CD2-CG2 3.96Å; L17-I59 HydrophobicContact CD2-CB 4.24Å; L17-I59 HydrophobicContact CD2-CD1 3.51Å; L17-I59 HydrophobicContact CD2-CG1 4.49Å; L17-I59 HydrophobicContact CD2-CG2 4.04Å; L17-I59 HydrophobicContact CG-CB 4.44Å; L17-I59 HydrophobicContact CG-CD1 4.12Å; L17-D60 WeakPolarHBondContact O-CA 3.35Å; L17-D60 PolarHBondContact O-N 3.36Å; L17-H61 PolarHBondContact N-O 3.45Å; L17-H61 PolarHBondContact O-N 3.34Å; L17-F63 HydrophobicContact CB-CE2 4.28Å; L17-F63 HydrophobicContact CD2-CE2 4.22Å; L17-L85 HydrophobicContact CD1-CD2 4.11Å; L17-L85 HydrophobicContact CD2-CD1 4.41Å; L17-V143 HydrophobicContact CD1-CG1 3.15Å; L17-I145 HydrophobicContact CD1-CD1 4.37Å; L17-I145 HydrophobicContact CD1-CG1 3.89Å |
| 18 | Q | 85.9 | Confident | 77.3 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -64.8 | -174.7 | -67.8 | -177.1 | -2.7 | 0 | 0 | 110.8 | H16 I59 D60 E144 | H16-Q18 VanDerWaalsContact CE1-CG 3.44Å; H16-Q18 WeakPolarHBondContact CE1-CG 3.39Å; H16-Q18 PolarHBondContact ND1-NE2 3.44Å; Q18-I59 PolarHBondContact O-N 3.34Å; Q18-D60 PolarHBondContact O-N 3.01Å; Q18-D60 VanDerWaalsContact O-N 3.1Å; Q18-E144 PolarHBondContact N-O 3.3Å |
| 19 | R | 85.1 | Confident | 78.3 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.2 | -170.8 | 54.1 | -169.6 | 164.3 | 162 | 7.9 | 112.6 | H21 L57 E144 | R19-H21 VanDerWaalsContact CD-CE1 3.47Å; R19-H21 WeakPolarHBondContact CD-CE1 3.42Å; R19-H21 WeakPolarHBondContact CD-NE2 3.3Å; R19-H21 PolarHBondContact NE-NE2 3.16Å; R19-L57 WeakPolarHBondContact CA-O 3.49Å; R19-E144 HydrophobicContact CG-CB 4.23Å; R19-E144 HydrophobicContact CG-CG 4.09Å; R19-E144 IonicContact CZ-OE1 2.68Å; R19-E144 IonicContact CZ-OE2 3.64Å; R19-E144 IonicContact NE-OE1 3.87Å; R19-E144 IonicContact NE-OE2 2.69Å; R19-E144 PolarHBondContact NE-OE2 3.31Å; R19-E144 IonicContact NH2-OE1 3.75Å; R19-E144 PolarHBondContact NH2-OE1 2.85Å; R19-E144 IonicContact NH2-OE2 3.3Å; R19-E144 PolarHBondContact NH2-OE2 3.03Å; R19-E144 PolarHBondContact O-N 3.33Å |
| 20 | I | 84.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.4 | 171.4 | -47.7 | -174.6 | 0 | 0 | 0 | 108.4 | F23 E56 L57 I59 V87 L128 P141 T142 V143 | I20-F23 HydrophobicContact CB-CD2 4.4Å; I20-F23 HydrophobicContact CG2-CB 4.38Å; I20-F23 HydrophobicContact CG2-CD2 3.92Å; I20-E56 WeakPolarHBondContact O-CA 3.47Å; I20-L57 HydrophobicContact CB-CB 4.25Å; I20-L57 HydrophobicContact CD1-CD2 4.21Å; I20-L57 PolarHBondContact N-O 3.37Å; I20-L57 PolarHBondContact O-N 2.84Å; I20-I59 HydrophobicContact CD1-CD1 3.81Å; I20-I59 HydrophobicContact CG1-CD1 4.01Å; I20-V87 HydrophobicContact CD1-CG2 4.11Å; I20-L128 HydrophobicContact CD1-CD2 4.17Å; I20-L128 HydrophobicContact CG2-CD2 4.29Å; I20-P141 HydrophobicContact CG2-CB 4.06Å; I20-T142 CarbonylContact C-O 3.58Å; I20-T142 WeakPolarHBondContact CA-O 3.36Å; I20-V143 HydrophobicContact CD1-CG2 4.12Å; I20-V143 HydrophobicContact CG1-CG1 4.22Å; I20-V143 HydrophobicContact CG1-CG2 4.03Å; I20-V143 HydrophobicContact CG2-CG2 4.02Å |
| 21 | H | 83.7 | Confident | 79.3 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 159.2 | 176 | -58.9 | -77.4 | 0 | 0 | 0 | 111.6 | R19 F23 E56 P141 T142 E144 | R19-H21 VanDerWaalsContact CD-CE1 3.47Å; R19-H21 WeakPolarHBondContact CD-CE1 3.42Å; R19-H21 WeakPolarHBondContact CD-NE2 3.3Å; R19-H21 PolarHBondContact NE-NE2 3.16Å; H21-F23 PolarHBondContact O-N 3.48Å; H21-E56 IonicContact CE1-OE1 3.47Å; H21-E56 PolarHBondContact CE1-OE1 3.36Å; H21-E56 VanDerWaalsContact CE1-OE1 3.3Å; H21-E56 IonicContact ND1-OE1 2.67Å; H21-E56 PolarHBondContact ND1-OE1 2.95Å; H21-P141 VanDerWaalsContact O-CA 3.27Å; H21-P141 WeakPolarHBondContact O-CA 3.45Å; H21-P141 WeakPolarHBondContact O-CB 3.43Å; H21-T142 PolarHBondContact N-O 2.89Å; H21-T142 PolarHBondContact O-N 3.21Å; H21-T142 VanDerWaalsContact O-N 3.16Å; H21-E144 IonicContact CD2-OE1 2.97Å; H21-E144 IonicContact NE2-OE1 2.69Å; H21-E144 PolarHBondContact NE2-OE1 3Å; H21-E144 IonicContact NE2-OE2 2.77Å |
| 22 | N | 77.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 47.7 Ų | 47.7 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 52.7 | 36.1 | -179.4 | -64.8 | -19.8 | 0 | 0 | 0 | 112.8 | V24 N55 | N22-V24 PolarHBondContact O-N 2.74Å; N22-N55 CarbonylContact C-O 3.54Å; N22-N55 PolarHBondContact N-O 3.2Å |
| 23 | F | 76.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | trans | -80.4 | 110 | -178.2 | -169 | -92.8 | 0 | 0 | 0 | 111 | I20 H21 K25 Y32 T51 N55 L57 V87 W105 | I20-F23 HydrophobicContact CB-CD2 4.4Å; I20-F23 HydrophobicContact CG2-CB 4.38Å; I20-F23 HydrophobicContact CG2-CD2 3.92Å; H21-F23 PolarHBondContact O-N 3.48Å; F23-K25 PolarHBondContact O-N 3.02Å; F23-Y32 HydrophobicContact CE1-CD1 4.03Å; F23-Y32 HydrophobicContact CE1-CD2 4.04Å; F23-Y32 AromaticContact CE1-CE1 3.74Å; F23-Y32 HydrophobicContact CE1-CE1 3.74Å; F23-Y32 AromaticContact CE1-CE2 3.81Å; F23-Y32 HydrophobicContact CE1-CE2 3.81Å; F23-Y32 HydrophobicContact CE1-CG 4.15Å; F23-Y32 AromaticContact CE1-CZ 3.62Å; F23-Y32 AromaticContact CZ-CD1 3.54Å; F23-Y32 HydrophobicContact CZ-CD1 3.54Å; F23-Y32 HydrophobicContact CZ-CD2 4.3Å; F23-Y32 AromaticContact CZ-CE1 3.51Å; F23-Y32 HydrophobicContact CZ-CE1 3.51Å; F23-Y32 HydrophobicContact CZ-CE2 4.32Å; F23-Y32 AromaticContact CZ-CG 3.93Å; F23-Y32 HydrophobicContact CZ-CG 3.93Å; F23-Y32 AromaticContact CZ-CZ 3.92Å; F23-T51 HydrophobicContact CD1-CG2 3.68Å; F23-T51 HydrophobicContact CE1-CG2 3.64Å; F23-N55 PolarHBondContact N-O 3.27Å; F23-L57 HydrophobicContact CB-CB 4.33Å; F23-L57 HydrophobicContact CD1-CB 4.22Å; F23-L57 HydrophobicContact CD2-CB 4.41Å; F23-L57 HydrophobicContact CD2-CD2 4.47Å; F23-L57 HydrophobicContact CE1-CD2 4.43Å; F23-L57 HydrophobicContact CE2-CD2 4.19Å; F23-L57 HydrophobicContact CG-CB 4.05Å; F23-L57 HydrophobicContact CZ-CD2 4.18Å; F23-V87 HydrophobicContact CE2-CG1 4.47Å; F23-W105 AromaticContact CD2-CH2 3.57Å; F23-W105 HydrophobicContact CD2-CH2 3.57Å; F23-W105 AromaticContact CD2-CZ2 3.87Å; F23-W105 HydrophobicContact CD2-CZ2 3.87Å; F23-W105 HydrophobicContact CD2-CZ3 4.02Å; F23-W105 HydrophobicContact CE1-CZ2 4.31Å; F23-W105 AromaticContact CE2-CD2 3.82Å; F23-W105 HydrophobicContact CE2-CD2 3.82Å; F23-W105 AromaticContact CE2-CE2 3.67Å; F23-W105 AromaticContact CE2-CE3 3.76Å; F23-W105 HydrophobicContact CE2-CE3 3.76Å; F23-W105 AromaticContact CE2-CH2 3.39Å; F23-W105 HydrophobicContact CE2-CH2 3.39Å; F23-W105 AromaticContact CE2-CZ2 3.46Å; F23-W105 HydrophobicContact CE2-CZ2 3.46Å; F23-W105 VanDerWaalsContact CE2-CZ2 3.46Å; F23-W105 AromaticContact CE2-CZ3 3.58Å; F23-W105 HydrophobicContact CE2-CZ3 3.58Å; F23-W105 HydrophobicContact CG-CH2 4.43Å; F23-W105 HydrophobicContact CG-CZ2 4.46Å; F23-W105 AromaticContact CZ-CD2 3.96Å; F23-W105 HydrophobicContact CZ-CD2 3.96Å; F23-W105 AromaticContact CZ-CE2 3.62Å; F23-W105 HydrophobicContact CZ-CE3 4.37Å; F23-W105 HydrophobicContact CZ-CG 4.49Å; F23-W105 HydrophobicContact CZ-CH2 4.13Å; F23-W105 AromaticContact CZ-CZ2 3.7Å; F23-W105 HydrophobicContact CZ-CZ2 3.7Å; F23-W105 HydrophobicContact CZ-CZ3 4.47Å; F23-W105 AromaticContact CZ-NE1 3.97Å | ||
| 24 | V | 72.6 | Confident | 79.8 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | trans | -88.6 | 110.1 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | N22 W105 | N22-V24 PolarHBondContact O-N 2.74Å; V24-W105 WeakPolarHBondContact O-CZ2 3.35Å | ||
| 25 | K | 67.5 | Low | 79.8 | Confident | 110 Ų | 110 | 45.4 Ų | 45.4 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | trans | -62.8 | 139.5 | 173.9 | 62.1 | 173.7 | -178.6 | 166.1 | 0 | 111.9 | F23 D28 | F23-K25 PolarHBondContact O-N 3.02Å; K25-D28 IonicContact NZ-OD1 3.5Å; K25-D28 PolarHBondContact NZ-OD1 3.46Å | ||
| 26 | V | 64.3 | Low | 79.7 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | trans | -97.5 | -35 | -177.8 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | Y32 | V26-Y32 PolarHBondContact N-OH 2.98Š| ||
| 27 | G | 64 | Low | 79.6 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -145.5 | 150.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G29 | G27-G29 PolarHBondContact O-N 3.45Š|
| 28 | D | 64.1 | Low | 79.5 | Confident | 145 Ų | 145 | 45.1 Ų | 45.1 | 78% | 0.775 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 125.6 | 175 | -74.7 | -32.2 | 0 | 0 | 0 | 110.3 | K25 | K25-D28 IonicContact NZ-OD1 3.5Å; K25-D28 PolarHBondContact NZ-OD1 3.46Å |
| 29 | G | 68.3 | Low | 79.1 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 5.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | G27 L92 | G27-G29 PolarHBondContact O-N 3.45Å; G29-L92 WeakPolarHBondContact O-CD1 3.26Å |
| 30 | S | 75 | Confident | 78.7 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -70.2 | 138.1 | 170.5 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | E89 | S30-E89 VanDerWaalsContact CB-OE1 3.3Å; S30-E89 WeakPolarHBondContact CB-OE1 3.16Å; S30-E89 PolarHBondContact OG-OE1 2.99Å | ||
| 31 | K | 81.7 | Confident | 78.5 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.4 | 171.2 | -54.1 | -158 | 167.6 | -112.9 | 0 | 110.6 | K48 D50 H90 | K31-K48 HydrophobicContact CB-CB 4.05Å; K31-K48 HydrophobicContact CD-CB 4.13Å; K31-D50 WeakPolarHBondContact CD-OD1 3.39Å; K31-D50 VanDerWaalsContact CE-OD1 3.23Å; K31-D50 WeakPolarHBondContact CE-OD1 3.42Å; K31-D50 VanDerWaalsContact CG-OD1 3.25Å; K31-D50 WeakPolarHBondContact CG-OD1 3.45Å; K31-D50 IonicContact NZ-OD1 3.68Å; K31-D50 PolarHBondContact NZ-OD1 2.89Å; K31-D50 IonicContact NZ-OD2 2.78Å; K31-D50 PolarHBondContact NZ-OD2 2.96Å; K31-H90 PolarHBondContact N-O 2.9Å; K31-H90 VanDerWaalsContact N-O 3.07Å; K31-H90 WeakPolarHBondContact O-CA 3.23Å; K31-H90 WeakPolarHBondContact O-CB 3.23Å; K31-H90 PolarHBondContact O-N 3.47Å |
| 32 | Y | 85.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.9 | -178 | -57.4 | -89.7 | 0 | 0 | 0 | 110.9 | F23 V26 K48 C49 T51 L57 Y88 E89 W105 | F23-Y32 HydrophobicContact CE1-CD1 4.03Å; F23-Y32 HydrophobicContact CE1-CD2 4.04Å; F23-Y32 AromaticContact CE1-CE1 3.74Å; F23-Y32 HydrophobicContact CE1-CE1 3.74Å; F23-Y32 AromaticContact CE1-CE2 3.81Å; F23-Y32 HydrophobicContact CE1-CE2 3.81Å; F23-Y32 HydrophobicContact CE1-CG 4.15Å; F23-Y32 AromaticContact CE1-CZ 3.62Å; F23-Y32 AromaticContact CZ-CD1 3.54Å; F23-Y32 HydrophobicContact CZ-CD1 3.54Å; F23-Y32 HydrophobicContact CZ-CD2 4.3Å; F23-Y32 AromaticContact CZ-CE1 3.51Å; F23-Y32 HydrophobicContact CZ-CE1 3.51Å; F23-Y32 HydrophobicContact CZ-CE2 4.32Å; F23-Y32 AromaticContact CZ-CG 3.93Å; F23-Y32 HydrophobicContact CZ-CG 3.93Å; F23-Y32 AromaticContact CZ-CZ 3.92Å; V26-Y32 PolarHBondContact N-OH 2.98Å; Y32-K48 CarbonylContact O-C 3.52Å; Y32-K48 WeakPolarHBondContact O-CA 3.41Å; Y32-C49 PolarHBondContact N-O 3.05Å; Y32-C49 PolarHBondContact O-N 3.31Å; Y32-T51 HydrophobicContact CD2-CG2 3.73Å; Y32-T51 HydrophobicContact CE2-CG2 3.38Å; Y32-L57 HydrophobicContact CD2-CD1 4.35Å; Y32-L57 HydrophobicContact CG-CD2 4.29Å; Y32-Y88 VanDerWaalsContact CA-O 3.29Å; Y32-Y88 WeakPolarHBondContact CA-O 3.43Å; Y32-E89 HydrophobicContact CD1-CB 4.03Å; Y32-E89 HydrophobicContact CD1-CG 4.19Å; Y32-E89 HydrophobicContact CE1-CB 3.82Å; Y32-E89 HydrophobicContact CE1-CG 3.64Å; Y32-W105 AromaticContact CE1-CD1 3.83Å; Y32-W105 HydrophobicContact CE1-CG 4.42Å |
| 33 | S | 87 | Confident | 78.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.8 | 170.1 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | E45 Y88 H90 | S33-E45 VanDerWaalsContact CB-OE1 3.27Å; S33-E45 WeakPolarHBondContact CB-OE1 3.4Å; S33-E45 PolarHBondContact OG-OE1 3.36Å; S33-Y88 PolarHBondContact N-O 3.46Å; S33-Y88 PolarHBondContact O-N 2.72Å; S33-H90 PolarHBondContact OG-NE2 2.94Å |
| 34 | V | 89.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.3 | -179 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L17 E45 S46 I59 F63 L85 T86 V87 | L17-V34 HydrophobicContact CD2-CB 3.87Å; L17-V34 HydrophobicContact CD2-CG1 3.74Å; L17-V34 HydrophobicContact CD2-CG2 3.96Å; V34-E45 CarbonylContact O-C 3.48Å; V34-E45 VanDerWaalsContact O-CA 3.31Å; V34-E45 WeakPolarHBondContact O-CA 3.05Å; V34-S46 PolarHBondContact N-OG 3.03Å; V34-S46 PolarHBondContact O-N 2.77Å; V34-I59 HydrophobicContact CG2-CD1 3.47Å; V34-I59 VanDerWaalsContact CG2-CD1 3.47Å; V34-F63 HydrophobicContact CG1-CZ 4.48Å; V34-F63 WeakPolarHBondContact O-CZ 3.4Å; V34-L85 HydrophobicContact CG1-CD1 3.29Å; V34-L85 HydrophobicContact CG1-CD2 4.11Å; V34-L85 HydrophobicContact CG1-CG 3.52Å; V34-T86 WeakPolarHBondContact CA-O 3.35Å; V34-V87 HydrophobicContact CG1-CG2 4.34Å; V34-V87 HydrophobicContact CG2-CB 4.43Å; V34-V87 HydrophobicContact CG2-CG1 4.27Å; V34-V87 HydrophobicContact CG2-CG2 3.89Å |
| 35 | K | 90.3 | Very high | 80.1 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.8 | 175.6 | -167.3 | -174.5 | -174.8 | -170.5 | 0 | 109.4 | E37 S42 G44 E45 T86 Y88 | K35-E37 HydrophobicContact CD-CG 4.21Å; K35-E37 WeakPolarHBondContact CE-OE1 3.16Å; K35-E37 HydrophobicContact CG-CG 4.32Å; K35-E37 IonicContact NZ-OE1 3.49Å; K35-E37 PolarHBondContact NZ-OE1 3.02Å; K35-S42 WeakPolarHBondContact CE-OG 3.4Å; K35-G44 WeakPolarHBondContact CA-O 3.12Å; K35-G44 WeakPolarHBondContact CG-O 3.38Å; K35-E45 HydrophobicContact CB-CG 4.36Å; K35-E45 HydrophobicContact CG-CB 4.47Å; K35-T86 PolarHBondContact N-O 3.07Å; K35-T86 PolarHBondContact O-N 3.17Å; K35-Y88 HydrophobicContact CB-CD2 4.29Å; K35-Y88 HydrophobicContact CB-CE2 3.87Å; K35-Y88 HydrophobicContact CD-CE2 4.28Å |
| 36 | L | 90.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.2 | 174.7 | -174.8 | 69.2 | 0 | 0 | 0 | 110.2 | I15 C43 G44 F63 F83 L85 F110 | I15-L36 HydrophobicContact CB-CD2 4.16Å; I15-L36 HydrophobicContact CD1-CD2 3.58Å; I15-L36 HydrophobicContact CG1-CD2 4.46Å; I15-L36 HydrophobicContact CG2-CD2 3.98Å; L36-C43 HydrophobicContact CB-CB 4.1Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.12Å; L36-C43 WeakPolarHBondContact O-CB 3.44Å; L36-C43 PolarHBondContact O-N 2.92Å; L36-G44 PolarHBondContact N-O 3.35Å; L36-G44 VanDerWaalsContact N-O 3.1Å; L36-F63 HydrophobicContact CB-CD1 3.91Å; L36-F63 HydrophobicContact CB-CD2 4.12Å; L36-F63 HydrophobicContact CB-CE1 4.05Å; L36-F63 HydrophobicContact CB-CE2 4.25Å; L36-F63 HydrophobicContact CB-CG 3.94Å; L36-F63 HydrophobicContact CB-CZ 4.21Å; L36-F63 HydrophobicContact CD2-CB 3.64Å; L36-F63 HydrophobicContact CD2-CD1 4.49Å; L36-F63 HydrophobicContact CD2-CD2 3.94Å; L36-F63 HydrophobicContact CD2-CG 3.78Å; L36-F83 HydrophobicContact CD1-CB 4.14Å; L36-F83 HydrophobicContact CD1-CD1 4.36Å; L36-F83 HydrophobicContact CD2-CD1 4.36Å; L36-F83 HydrophobicContact CG-CD1 4.37Å; L36-L85 HydrophobicContact CD1-CB 4.45Å; L36-L85 HydrophobicContact CD1-CD1 3.95Å; L36-F110 HydrophobicContact CD1-CE1 3.86Å; L36-F110 HydrophobicContact CD1-CZ 4.07Å |
| 37 | E | 88.6 | Confident | 82.2 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.6 | 178.7 | -62.2 | 179.5 | 148.1 | 0 | 0 | 110.3 | K35 F41 F83 V84 S231 | K35-E37 HydrophobicContact CD-CG 4.21Å; K35-E37 WeakPolarHBondContact CE-OE1 3.16Å; K35-E37 HydrophobicContact CG-CG 4.32Å; K35-E37 IonicContact NZ-OE1 3.49Å; K35-E37 PolarHBondContact NZ-OE1 3.02Å; E37-F41 CarbonylContact C-O 3.56Å; E37-F41 WeakPolarHBondContact CA-O 3.45Å; E37-F83 CarbonylContact O-C 3.47Å; E37-F83 WeakPolarHBondContact O-CA 3.34Å; E37-V84 PolarHBondContact N-O 3.27Å; E37-V84 PolarHBondContact O-N 3.23Å; E37-S231 VanDerWaalsContact OE2-CB 3.24Å; E37-S231 WeakPolarHBondContact OE2-CB 3.35Å; E37-S231 PolarHBondContact OE2-OG 2.95Å |
| 38 | H | 86.2 | Confident | 83.1 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 108.4 | 174 | 179.1 | -103.5 | 0 | 0 | 0 | 109.1 | D40 F41 Y65 S77 K81 F83 | H38-D40 PolarHBondContact O-N 3.39Å; H38-F41 PolarHBondContact N-O 3.44Å; H38-F41 WeakPolarHBondContact O-CB 3.42Å; H38-F41 PolarHBondContact O-N 2.98Å; H38-Y65 HydrophobicContact CB-CE2 4.2Å; H38-Y65 AromaticContact ND1-CE2 3.97Å; H38-Y65 AromaticContact ND1-CZ 3.59Å; H38-Y65 PolarHBondContact ND1-OH 2.98Å; H38-Y65 VanDerWaalsContact ND1-OH 3.09Å; H38-S77 PolarHBondContact CE1-OG 3.45Å; H38-S77 PolarHBondContact NE2-O 3.2Å; H38-K81 PolarHBondContact NE2-O 3.35Å; H38-F83 HydrophobicContact CB-CD1 3.66Å; H38-F83 HydrophobicContact CB-CE1 3.57Å; H38-F83 HydrophobicContact CB-CG 4.39Å; H38-F83 HydrophobicContact CB-CZ 4.25Å; H38-F83 AromaticContact CD2-CD1 3.98Å; H38-F83 AromaticContact CD2-CD2 3.84Å; H38-F83 AromaticContact CD2-CE1 3.88Å; H38-F83 AromaticContact CD2-CE2 3.72Å; H38-F83 AromaticContact CD2-CG 3.96Å; H38-F83 AromaticContact CD2-CZ 3.74Å; H38-F83 AromaticContact CG-CE1 3.79Å; H38-F83 AromaticContact CG-CZ 3.95Å |
| 39 | G | 78 | Confident | 83.9 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 19% | 0.186 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -120.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 40 | D | 76.3 | Confident | 84.2 | Confident | 162 Ų | 162 | 50.5 Ų | 50.5 | 87% | 0.866 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1.6 | 179.7 | -51.4 | -59.4 | 0 | 0 | 0 | 112.5 | H38 K81 | H38-D40 PolarHBondContact O-N 3.39Å; D40-K81 IonicContact OD2-NZ 3.8Å |
| 41 | F | 82.2 | Confident | 84 | Confident | 108 Ų | 108 | 52 Ų | 52 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.2 | -178.7 | -175.7 | -95.4 | 0 | 0 | 0 | 111.2 | E37 H38 Y65 | E37-F41 CarbonylContact C-O 3.56Å; E37-F41 WeakPolarHBondContact CA-O 3.45Å; H38-F41 PolarHBondContact N-O 3.44Å; H38-F41 WeakPolarHBondContact O-CB 3.42Å; H38-F41 PolarHBondContact O-N 2.98Å; F41-Y65 AromaticContact CD1-CD2 3.62Å; F41-Y65 HydrophobicContact CD1-CD2 3.62Å; F41-Y65 AromaticContact CD1-CE2 3.5Å; F41-Y65 HydrophobicContact CD1-CE2 3.5Å; F41-Y65 AromaticContact CE1-CD2 3.65Å; F41-Y65 HydrophobicContact CE1-CD2 3.65Å; F41-Y65 AromaticContact CE1-CE2 3.93Å; F41-Y65 HydrophobicContact CE1-CE2 3.93Å; F41-Y65 HydrophobicContact CG-CE2 4.19Å |
| 42 | S | 84.8 | Confident | 83.4 | Confident | 55 Ų | 55 | 52 Ų | 52 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.2 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | K35 G44 | K35-S42 WeakPolarHBondContact CE-OG 3.4Å; S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 3.28Å |
| 43 | C | 84.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -18.7 | 179.4 | -55.4 | 0 | 0 | 0 | 0 | 113 | L36 F63 Y65 | L36-C43 HydrophobicContact CB-CB 4.1Å; L36-C43 HydrophobicContact CD2-CB 4.02Å; L36-C43 HydrophobicContact CG-CB 4.12Å; L36-C43 WeakPolarHBondContact O-CB 3.44Å; L36-C43 PolarHBondContact O-N 2.92Å; C43-F63 HydrophobicContact CB-CB 4.48Å; C43-Y65 VanDerWaalsContact SG-CD2 3.59Å |
| 44 | G | 86.4 | Confident | 81.3 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.4 | -176.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K35 L36 S42 | K35-G44 WeakPolarHBondContact CA-O 3.12Å; K35-G44 WeakPolarHBondContact CG-O 3.38Å; L36-G44 PolarHBondContact N-O 3.35Å; L36-G44 VanDerWaalsContact N-O 3.1Å; S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 3.28Å |
| 45 | E | 88.1 | Confident | 80.5 | Confident | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.4 | 175.7 | -170.2 | 179.1 | 168.9 | 0 | 0 | 109.5 | S33 V34 K35 H90 | S33-E45 VanDerWaalsContact CB-OE1 3.27Å; S33-E45 WeakPolarHBondContact CB-OE1 3.4Å; S33-E45 PolarHBondContact OG-OE1 3.36Å; V34-E45 CarbonylContact O-C 3.48Å; V34-E45 VanDerWaalsContact O-CA 3.31Å; V34-E45 WeakPolarHBondContact O-CA 3.05Å; K35-E45 HydrophobicContact CB-CG 4.36Å; K35-E45 HydrophobicContact CG-CB 4.47Å; E45-H90 IonicContact OE1-NE2 2.86Å |
| 46 | S | 90.2 | Very high | 79.9 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | trans | -69.6 | 167 | 178.6 | 77.1 | 0 | 0 | 0 | 0 | 112 | V34 | V34-S46 PolarHBondContact N-OG 3.03Å; V34-S46 PolarHBondContact O-N 2.77Å | ||
| 47 | Q | 84.9 | Confident | 79.4 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | trans | -64.2 | 156.7 | 166.7 | -63.3 | -174.8 | 4.9 | 0 | 0 | 110.6 | C49 | Q47-C49 PolarHBondContact O-N 2.67Š| ||
| 48 | K | 82.7 | Confident | 79 | Confident | 110 Ų | 110 | 72.3 Ų | 72.3 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | trans | -77.8 | 109.7 | 178.4 | -61.3 | -170.9 | -174.4 | -162.6 | 0 | 109.5 | K31 Y32 H90 | K31-K48 HydrophobicContact CB-CB 4.05Å; K31-K48 HydrophobicContact CD-CB 4.13Å; Y32-K48 CarbonylContact O-C 3.52Å; Y32-K48 WeakPolarHBondContact O-CA 3.41Å; K48-H90 PolarHBondContact NZ-ND1 3.18Å | ||
| 49 | C | 81.3 | Confident | 78.7 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 149.4 | -178.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | Y32 Q47 L57 | Y32-C49 PolarHBondContact N-O 3.05Å; Y32-C49 PolarHBondContact O-N 3.31Å; Q47-C49 PolarHBondContact O-N 2.67Å; C49-L57 HydrophobicContact CB-CD1 4.12Å |
| 50 | D | 75.3 | Confident | 79 | Confident | 94 Ų | 94 | 77 Ų | 77 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 149.1 | 171.9 | -60.6 | -39.9 | 0 | 0 | 0 | 109 | K31 | K31-D50 WeakPolarHBondContact CD-OD1 3.39Å; K31-D50 VanDerWaalsContact CE-OD1 3.23Å; K31-D50 WeakPolarHBondContact CE-OD1 3.42Å; K31-D50 VanDerWaalsContact CG-OD1 3.25Å; K31-D50 WeakPolarHBondContact CG-OD1 3.45Å; K31-D50 IonicContact NZ-OD1 3.68Å; K31-D50 PolarHBondContact NZ-OD1 2.89Å; K31-D50 IonicContact NZ-OD2 2.78Å; K31-D50 PolarHBondContact NZ-OD2 2.96Å |
| 51 | T | 69.6 | Low | 79.5 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 142.1 | 177.3 | 50 | 0 | 0 | 0 | 0 | 111.4 | F23 Y32 L57 | F23-T51 HydrophobicContact CD1-CG2 3.68Å; F23-T51 HydrophobicContact CE1-CG2 3.64Å; Y32-T51 HydrophobicContact CD2-CG2 3.73Å; Y32-T51 HydrophobicContact CE2-CG2 3.38Å; T51-L57 HydrophobicContact CG2-CD1 4.08Å |
| 52 | N | 68.6 | Low | 79.9 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 164 | 173.8 | -150.5 | 8.5 | 0 | 0 | 0 | 111.3 | D54 E56 | N52-D54 PolarHBondContact O-N 3.29Å; N52-E56 WeakPolarHBondContact CB-O 3.46Å; N52-E56 PolarHBondContact N-O 2.94Å |
| 53 | N | 64.4 | Low | 80.2 | Confident | 154 Ų | 154 | 67 Ų | 67 | 82% | 0.824 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.9 | -179.3 | -76.9 | -20.4 | 0 | 0 | 0 | 113.7 | N55 | N53-N55 VanDerWaalsContact C-N 3.31Å; N53-N55 PolarHBondContact O-N 3.1Å |
| 54 | D | 64.9 | Low | 80.3 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 20.9 | -173.4 | -61.5 | -37.7 | 0 | 0 | 0 | 114.3 | N52 E56 | N52-D54 PolarHBondContact O-N 3.29Å; D54-E56 PolarHBondContact O-N 3.41Å |
| 55 | N | 72.6 | Confident | 80.3 | Confident | 97 Ų | 97 | 72 Ų | 72 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 57.1 | 31.8 | -172.2 | -57.1 | -38.6 | 0 | 0 | 0 | 113.3 | N22 F23 N53 | N22-N55 CarbonylContact C-O 3.54Å; N22-N55 PolarHBondContact N-O 3.2Å; F23-N55 PolarHBondContact N-O 3.27Å; N53-N55 VanDerWaalsContact C-N 3.31Å; N53-N55 PolarHBondContact O-N 3.1Å |
| 56 | E | 78.1 | Confident | 80.1 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | trans | -120.2 | 144.3 | 176.4 | -63.6 | -170.2 | 159.6 | 0 | 0 | 110.6 | I20 H21 N52 D54 | I20-E56 WeakPolarHBondContact O-CA 3.47Å; H21-E56 IonicContact CE1-OE1 3.47Å; H21-E56 PolarHBondContact CE1-OE1 3.36Å; H21-E56 VanDerWaalsContact CE1-OE1 3.3Å; H21-E56 IonicContact ND1-OE1 2.67Å; H21-E56 PolarHBondContact ND1-OE1 2.95Å; N52-E56 WeakPolarHBondContact CB-O 3.46Å; N52-E56 PolarHBondContact N-O 2.94Å; D54-E56 PolarHBondContact O-N 3.41Å | ||
| 57 | L | 79.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.1 | 170.4 | -175.9 | 68.3 | 0 | 0 | 0 | 108.7 | R19 I20 F23 Y32 C49 T51 I59 | R19-L57 WeakPolarHBondContact CA-O 3.49Å; I20-L57 HydrophobicContact CB-CB 4.25Å; I20-L57 HydrophobicContact CD1-CD2 4.21Å; I20-L57 PolarHBondContact N-O 3.37Å; I20-L57 PolarHBondContact O-N 2.84Å; F23-L57 HydrophobicContact CB-CB 4.33Å; F23-L57 HydrophobicContact CD1-CB 4.22Å; F23-L57 HydrophobicContact CD2-CB 4.41Å; F23-L57 HydrophobicContact CD2-CD2 4.47Å; F23-L57 HydrophobicContact CE1-CD2 4.43Å; F23-L57 HydrophobicContact CE2-CD2 4.19Å; F23-L57 HydrophobicContact CG-CB 4.05Å; F23-L57 HydrophobicContact CZ-CD2 4.18Å; Y32-L57 HydrophobicContact CD2-CD1 4.35Å; Y32-L57 HydrophobicContact CG-CD2 4.29Å; C49-L57 HydrophobicContact CB-CD1 4.12Å; T51-L57 HydrophobicContact CG2-CD1 4.08Å; L57-I59 HydrophobicContact CD2-CD1 3.99Å; L57-I59 HydrophobicContact CD2-CG1 4.13Å; L57-I59 HydrophobicContact CG-CD1 4.26Å; L57-I59 HydrophobicContact CG-CG1 3.92Å |
| 58 | I | 81 | Confident | 79.1 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.4 | 174.6 | -56.7 | 172.4 | 0 | 0 | 0 | 107.6 | D60 | I58-D60 HydrophobicContact CG2-CB 4.5Å |
| 59 | I | 79.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -42.7 | -177.1 | -59.3 | 165.5 | 0 | 0 | 0 | 110 | L17 Q18 I20 V34 L57 H61 | L17-I59 HydrophobicContact CD2-CB 4.24Å; L17-I59 HydrophobicContact CD2-CD1 3.51Å; L17-I59 HydrophobicContact CD2-CG1 4.49Å; L17-I59 HydrophobicContact CD2-CG2 4.04Å; L17-I59 HydrophobicContact CG-CB 4.44Å; L17-I59 HydrophobicContact CG-CD1 4.12Å; Q18-I59 PolarHBondContact O-N 3.34Å; I20-I59 HydrophobicContact CD1-CD1 3.81Å; I20-I59 HydrophobicContact CG1-CD1 4.01Å; V34-I59 HydrophobicContact CG2-CD1 3.47Å; V34-I59 VanDerWaalsContact CG2-CD1 3.47Å; L57-I59 HydrophobicContact CD2-CD1 3.99Å; L57-I59 HydrophobicContact CD2-CG1 4.13Å; L57-I59 HydrophobicContact CG-CD1 4.26Å; L57-I59 HydrophobicContact CG-CG1 3.92Å; I59-H61 VanDerWaalsContact C-N 3.33Å; I59-H61 HydrophobicContact CG2-CB 3.73Å; I59-H61 PolarHBondContact O-N 3.45Å |
| 60 | D | 83.4 | Confident | 77.6 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45 | 55.2 | -179.8 | -165.1 | 28.3 | 0 | 0 | 0 | 112.7 | H16 L17 Q18 I58 | H16-D60 IonicContact CD2-OD1 3.38Å; H16-D60 IonicContact CE1-OD1 3.58Å; H16-D60 PolarHBondContact CE1-OD1 3.26Å; H16-D60 IonicContact NE2-OD1 3.4Å; H16-D60 PolarHBondContact NE2-OD1 3.48Å; L17-D60 WeakPolarHBondContact O-CA 3.35Å; L17-D60 PolarHBondContact O-N 3.36Å; Q18-D60 PolarHBondContact O-N 3.01Å; Q18-D60 VanDerWaalsContact O-N 3.1Å; I58-D60 HydrophobicContact CG2-CB 4.5Å |
| 61 | H | 87.9 | Confident | 77.2 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.7 | -176.8 | -168.5 | 75.1 | 0 | 0 | 0 | 111.5 | L17 I59 F63 | L17-H61 PolarHBondContact N-O 3.45Å; L17-H61 PolarHBondContact O-N 3.34Å; I59-H61 VanDerWaalsContact C-N 3.33Å; I59-H61 HydrophobicContact CG2-CB 3.73Å; I59-H61 PolarHBondContact O-N 3.45Å; H61-F63 AromaticContact CD2-CD1 3.8Å; H61-F63 AromaticContact CD2-CE1 3.55Å; H61-F63 AromaticContact CD2-CE2 3.79Å; H61-F63 AromaticContact CD2-CZ 3.55Å; H61-F63 AromaticContact NE2-CD1 3.97Å; H61-F63 AromaticContact NE2-CE1 3.84Å |
| 62 | V | 90.3 | Very high | 77.4 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.6 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | Q14 I15 H16 | Q14-V62 HydrophobicContact CB-CG1 3.98Å; Q14-V62 HydrophobicContact CG-CG1 4.48Å; I15-V62 WeakPolarHBondContact O-CA 3.27Å; H16-V62 HydrophobicContact CB-CG2 4.12Å |
| 63 | F | 90.8 | Very high | 77.8 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.2 | 168.8 | -59.5 | -83 | 0 | 0 | 0 | 109.8 | I15 L17 V34 L36 C43 H61 | I15-F63 HydrophobicContact CB-CB 4.28Å; I15-F63 PolarHBondContact N-O 2.77Å; I15-F63 PolarHBondContact O-N 3Å; L17-F63 HydrophobicContact CB-CE2 4.28Å; L17-F63 HydrophobicContact CD2-CE2 4.22Å; V34-F63 HydrophobicContact CG1-CZ 4.48Å; V34-F63 WeakPolarHBondContact O-CZ 3.4Å; L36-F63 HydrophobicContact CB-CD1 3.91Å; L36-F63 HydrophobicContact CB-CD2 4.12Å; L36-F63 HydrophobicContact CB-CE1 4.05Å; L36-F63 HydrophobicContact CB-CE2 4.25Å; L36-F63 HydrophobicContact CB-CG 3.94Å; L36-F63 HydrophobicContact CB-CZ 4.21Å; L36-F63 HydrophobicContact CD2-CB 3.64Å; L36-F63 HydrophobicContact CD2-CD1 4.49Å; L36-F63 HydrophobicContact CD2-CD2 3.94Å; L36-F63 HydrophobicContact CD2-CG 3.78Å; C43-F63 HydrophobicContact CB-CB 4.48Å; H61-F63 AromaticContact CD2-CD1 3.8Å; H61-F63 AromaticContact CD2-CE1 3.55Å; H61-F63 AromaticContact CD2-CE2 3.79Å; H61-F63 AromaticContact CD2-CZ 3.55Å; H61-F63 AromaticContact NE2-CD1 3.97Å; H61-F63 AromaticContact NE2-CE1 3.84Å |
| 64 | K | 87.6 | Confident | 78.4 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.9 | 176.3 | -66.5 | -176.5 | 179.3 | -176.2 | 0 | 109.5 | T12 I13 | T12-K64 HydrophobicContact CG2-CB 3.99Å; T12-K64 HydrophobicContact CG2-CD 4.32Å; T12-K64 HydrophobicContact CG2-CG 4.22Å; I13-K64 WeakPolarHBondContact O-CA 3.42Å |
| 65 | Y | 86 | Confident | 79.1 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.5 | 174.8 | 179.3 | -102.6 | 0 | 0 | 0 | 109.5 | I13 H38 F41 C43 L67 L78 F83 | I13-Y65 HydrophobicContact CD1-CD1 4.02Å; I13-Y65 PolarHBondContact N-O 3.34Å; I13-Y65 PolarHBondContact O-N 3.29Å; H38-Y65 HydrophobicContact CB-CE2 4.2Å; H38-Y65 AromaticContact ND1-CE2 3.97Å; H38-Y65 AromaticContact ND1-CZ 3.59Å; H38-Y65 PolarHBondContact ND1-OH 2.98Å; H38-Y65 VanDerWaalsContact ND1-OH 3.09Å; F41-Y65 AromaticContact CD1-CD2 3.62Å; F41-Y65 HydrophobicContact CD1-CD2 3.62Å; F41-Y65 AromaticContact CD1-CE2 3.5Å; F41-Y65 HydrophobicContact CD1-CE2 3.5Å; F41-Y65 AromaticContact CE1-CD2 3.65Å; F41-Y65 HydrophobicContact CE1-CD2 3.65Å; F41-Y65 AromaticContact CE1-CE2 3.93Å; F41-Y65 HydrophobicContact CE1-CE2 3.93Å; F41-Y65 HydrophobicContact CG-CE2 4.19Å; C43-Y65 VanDerWaalsContact SG-CD2 3.59Å; Y65-L67 HydrophobicContact CD1-CB 4.42Å; Y65-L67 HydrophobicContact CE1-CB 4.16Å; Y65-L67 HydrophobicContact CE1-CD1 4.11Å; Y65-L78 HydrophobicContact CE1-CD1 3.99Å; Y65-F83 HydrophobicContact CD1-CE1 4.38Å; Y65-F83 HydrophobicContact CD1-CZ 4.12Å; Y65-F83 HydrophobicContact CD2-CE1 4.39Å; Y65-F83 HydrophobicContact CE1-CZ 4.32Å; Y65-F83 HydrophobicContact CG-CE1 4.17Å; Y65-F83 HydrophobicContact CG-CZ 4.36Å |
| 66 | E | 83.3 | Confident | 79.6 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.1 | 179.4 | -67.9 | -174.8 | 174.8 | 0 | 0 | 110.3 | L10 | L10-E66 HydrophobicContact CD2-CB 4.06Å; L10-E66 HydrophobicContact CD2-CG 4.28Å |
| 67 | L | 79.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.3 | -177.7 | -177.1 | 64.6 | 0 | 0 | 0 | 110.6 | R11 I13 Y65 L78 L153 | R11-L67 PolarHBondContact N-O 2.88Å; R11-L67 PolarHBondContact O-N 3.47Å; I13-L67 HydrophobicContact CD1-CD2 4.35Å; Y65-L67 HydrophobicContact CD1-CB 4.42Å; Y65-L67 HydrophobicContact CE1-CB 4.16Å; Y65-L67 HydrophobicContact CE1-CD1 4.11Å; L67-L78 HydrophobicContact CD2-CD1 4.41Å; L67-L78 HydrophobicContact CD2-CD2 4.39Å; L67-L153 HydrophobicContact CD2-CD1 3.72Å; L67-L153 HydrophobicContact CD2-CD2 4.17Å |
| 68 | S | 75.4 | Confident | 80.1 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 112.5 | 170.2 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | K70 D71 S74 | S68-K70 PolarHBondContact O-N 2.9Å; S68-D71 PolarHBondContact OG-OD2 3.3Å; S68-S74 WeakPolarHBondContact O-CB 3.33Å |
| 69 | T | 66.2 | Low | 80.3 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.5 | 175.5 | 55 | 0 | 0 | 0 | 0 | 113.5 | N9 R11 D71 L153 | N9-T69 PolarHBondContact O-OG1 3.42Å; R11-T69 HydrophobicContact CG-CG2 3.89Å; T69-D71 VanDerWaalsContact C-N 3.28Å; T69-D71 PolarHBondContact O-N 3.3Å; T69-L153 HydrophobicContact CG2-CD1 3.95Å |
| 70 | K | 65.7 | Low | 80.5 | Confident | 109 Ų | 109 | 47.2 Ų | 47.2 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.5 | 175.5 | -72.6 | -175 | 176.3 | 179.3 | 0 | 112.4 | S68 | S68-K70 PolarHBondContact O-N 2.9Š|
| 71 | D | 67.5 | Low | 80.7 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | trans | -95.6 | 105.4 | -174.6 | -59.2 | -44 | 0 | 0 | 0 | 108.3 | S68 T69 S73 S74 V75 | S68-D71 PolarHBondContact OG-OD2 3.3Å; T69-D71 VanDerWaalsContact C-N 3.28Å; T69-D71 PolarHBondContact O-N 3.3Å; D71-S73 PolarHBondContact O-N 3.37Å; D71-S74 WeakPolarHBondContact CB-OG 3.3Å; D71-S74 WeakPolarHBondContact O-CB 3.34Å; D71-S74 PolarHBondContact O-N 3.16Å; D71-V75 PolarHBondContact O-N 3.16Å | ||
| 72 | F | 74.1 | Confident | 80.7 | Confident | 62 Ų | 62 | 42.7 Ų | 42.7 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -51 | -33.3 | 173.9 | -176.3 | -97.9 | 0 | 0 | 0 | 111.7 | S74 V75 D76 L162 T195 L286 D288 | F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 3.42Å; F72-V75 PolarHBondContact O-N 2.93Å; F72-D76 WeakPolarHBondContact O-CB 3.36Å; F72-D76 PolarHBondContact O-N 3.24Å; F72-L162 HydrophobicContact CE2-CD2 3.97Å; F72-T195 WeakPolarHBondContact CE1-O 3.26Å; F72-L286 HydrophobicContact CD2-CD2 4.06Å; F72-L286 HydrophobicContact CE1-CB 4.26Å; F72-L286 HydrophobicContact CE2-CB 4.33Å; F72-L286 HydrophobicContact CE2-CD2 3.39Å; F72-L286 HydrophobicContact CE2-CG 3.72Å; F72-L286 HydrophobicContact CZ-CB 3.73Å; F72-L286 HydrophobicContact CZ-CD2 3.68Å; F72-L286 HydrophobicContact CZ-CG 3.56Å; F72-L286 WeakPolarHBondContact CZ-O 3.47Å; F72-D288 HydrophobicContact CE2-CB 4.09Å; F72-D288 HydrophobicContact CZ-CB 4.25Å |
| 73 | S | 76.2 | Confident | 80.6 | Confident | 89 Ų | 89 | 40 Ų | 40 | 62% | 0.622 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -62.3 | -31.8 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 113.9 | D71 S77 | D71-S73 PolarHBondContact O-N 3.37Å; S73-S77 WeakPolarHBondContact O-CB 3.48Å; S73-S77 PolarHBondContact O-N 2.98Å |
| 74 | S | 76.7 | Confident | 80.4 | Confident | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.8 | -38.8 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | S68 D71 F72 S77 | S68-S74 WeakPolarHBondContact O-CB 3.33Å; D71-S74 WeakPolarHBondContact CB-OG 3.3Å; D71-S74 WeakPolarHBondContact O-CB 3.34Å; D71-S74 PolarHBondContact O-N 3.16Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 3.42Å; S74-S77 WeakPolarHBondContact O-CB 3.48Å; S74-S77 PolarHBondContact O-N 3.47Å; S74-S77 PolarHBondContact O-OG 3.02Å |
| 75 | V | 80.4 | Confident | 80.5 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | D71 F72 S77 L78 V116 L153 L286 | D71-V75 PolarHBondContact O-N 3.16Å; F72-V75 PolarHBondContact O-N 2.93Å; V75-S77 PolarHBondContact O-N 3.17Å; V75-L78 VanDerWaalsContact O-CB 3.29Å; V75-L78 WeakPolarHBondContact O-CB 3.2Å; V75-L78 PolarHBondContact O-N 3.48Å; V75-L78 VanDerWaalsContact O-N 3.08Å; V75-V116 HydrophobicContact CG1-CG2 4.4Å; V75-L153 HydrophobicContact CG1-CD2 4.32Å; V75-L286 HydrophobicContact CB-CD2 4.42Å; V75-L286 HydrophobicContact CG1-CD2 3.96Å |
| 76 | D | 83.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59 | -33.4 | 173.2 | -174.4 | 60.3 | 0 | 0 | 0 | 112.1 | F72 L78 C79 S80 R285 L286 | F72-D76 WeakPolarHBondContact O-CB 3.36Å; F72-D76 PolarHBondContact O-N 3.24Å; D76-L78 VanDerWaalsContact C-N 3.25Å; D76-L78 PolarHBondContact O-N 3.24Å; D76-C79 PolarHBondContact O-N 2.97Å; D76-S80 VanDerWaalsContact O-CB 3.3Å; D76-S80 WeakPolarHBondContact O-CB 3.25Å; D76-S80 PolarHBondContact O-N 3.5Å; D76-S80 PolarHBondContact O-OG 3.36Å; D76-R285 WeakPolarHBondContact OD1-CA 3.26Å; D76-R285 IonicContact OD2-CZ 3.63Å; D76-R285 IonicContact OD2-NH1 3.82Å; D76-R285 PolarHBondContact OD2-NH1 3.4Å; D76-L286 HydrophobicContact CB-CB 4.37Å; D76-L286 PolarHBondContact OD1-N 3.45Å |
| 77 | S | 83.4 | Confident | 80.8 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.6 | -32.5 | 176.7 | 80.5 | 0 | 0 | 0 | 0 | 112.9 | H38 S73 S74 V75 C79 S80 K81 | H38-S77 PolarHBondContact CE1-OG 3.45Å; H38-S77 PolarHBondContact NE2-O 3.2Å; S73-S77 WeakPolarHBondContact O-CB 3.48Å; S73-S77 PolarHBondContact O-N 2.98Å; S74-S77 WeakPolarHBondContact O-CB 3.48Å; S74-S77 PolarHBondContact O-N 3.47Å; S74-S77 PolarHBondContact O-OG 3.02Å; V75-S77 PolarHBondContact O-N 3.17Å; S77-C79 VanDerWaalsContact C-N 3.29Å; S77-C79 PolarHBondContact O-N 3.17Å; S77-S80 WeakPolarHBondContact CA-OG 3.44Å; S77-S80 PolarHBondContact O-N 3.17Å; S77-K81 WeakPolarHBondContact O-CB 3.37Å; S77-K81 PolarHBondContact O-N 3.27Å |
| 78 | L | 84.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.9 | -28 | -179.7 | -147 | 79 | 0 | 0 | 0 | 112.9 | I13 Y65 L67 V75 D76 F83 G112 L115 V116 L153 | I13-L78 HydrophobicContact CD1-CD1 3.93Å; I13-L78 HydrophobicContact CD1-CD2 4.07Å; Y65-L78 HydrophobicContact CE1-CD1 3.99Å; L67-L78 HydrophobicContact CD2-CD1 4.41Å; L67-L78 HydrophobicContact CD2-CD2 4.39Å; V75-L78 VanDerWaalsContact O-CB 3.29Å; V75-L78 WeakPolarHBondContact O-CB 3.2Å; V75-L78 PolarHBondContact O-N 3.48Å; V75-L78 VanDerWaalsContact O-N 3.08Å; D76-L78 VanDerWaalsContact C-N 3.25Å; D76-L78 PolarHBondContact O-N 3.24Å; L78-F83 HydrophobicContact CD1-CE2 3.83Å; L78-F83 HydrophobicContact CD1-CZ 3.82Å; L78-F83 HydrophobicContact CG-CE2 4.45Å; L78-G112 PolarHBondContact O-N 2.91Å; L78-L115 HydrophobicContact CD2-CB 4.31Å; L78-L115 HydrophobicContact CD2-CD1 4.37Å; L78-V116 HydrophobicContact CB-CG2 4.4Å; L78-V116 HydrophobicContact CD2-CG2 3.95Å; L78-L153 HydrophobicContact CD2-CD2 4.03Å |
| 79 | C | 84 | Confident | 81.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -88.4 | -35.9 | 174.3 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | D76 S77 R284 | D76-C79 PolarHBondContact O-N 2.97Å; S77-C79 VanDerWaalsContact C-N 3.29Å; S77-C79 PolarHBondContact O-N 3.17Å; C79-R284 HydrophobicContact CB-CB 4.43Å; C79-R284 WeakPolarHBondContact O-CD 3.36Å |
| 80 | S | 84.6 | Confident | 82.3 | Confident | 18 Ų | 18 | 28 Ų | 28 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -93.2 | -20.2 | -168.3 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | D76 S77 R284 | D76-S80 VanDerWaalsContact O-CB 3.3Å; D76-S80 WeakPolarHBondContact O-CB 3.25Å; D76-S80 PolarHBondContact O-N 3.5Å; D76-S80 PolarHBondContact O-OG 3.36Å; S77-S80 WeakPolarHBondContact CA-OG 3.44Å; S77-S80 PolarHBondContact O-N 3.17Å; S80-R284 WeakPolarHBondContact CB-O 3.39Å |
| 81 | K | 87 | Confident | 82.8 | Confident | 64 Ų | 64 | 26.3 Ų | 26.3 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -121.7 | 143.4 | 178 | -61.9 | -173.6 | 179.8 | -176 | 0 | 110.5 | H38 D40 S77 | H38-K81 PolarHBondContact NE2-O 3.35Å; D40-K81 IonicContact OD2-NZ 3.8Å; S77-K81 WeakPolarHBondContact O-CB 3.37Å; S77-K81 PolarHBondContact O-N 3.27Å |
| 82 | P | 88.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | trans | -80.1 | 155.3 | 175.7 | 30 | -30.9 | 0 | 0 | 0 | 112 | V84 T109 F110 W226 | P82-V84 HydrophobicContact CG-CG2 4.22Å; P82-T109 HydrophobicContact CB-CG2 4.29Å; P82-F110 CarbonylContact C-O 3.53Å; P82-F110 WeakPolarHBondContact CA-O 3.4Å; P82-W226 HydrophobicContact CB-CD2 3.82Å; P82-W226 HydrophobicContact CB-CE3 4.35Å; P82-W226 HydrophobicContact CB-CG 4.16Å; P82-W226 HydrophobicContact CB-CZ2 4.01Å; P82-W226 HydrophobicContact CG-CB 4.33Å; P82-W226 HydrophobicContact CG-CD2 3.77Å; P82-W226 HydrophobicContact CG-CE3 4.23Å; P82-W226 HydrophobicContact CG-CG 3.77Å | ||
| 83 | F | 88.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.6 | 152.1 | -72.2 | -85.7 | 0 | 0 | 0 | 108.9 | I15 L36 E37 H38 Y65 L78 T109 F110 | I15-F83 HydrophobicContact CD1-CD1 3.99Å; I15-F83 HydrophobicContact CD1-CE1 3.8Å; I15-F83 HydrophobicContact CD1-CZ 4.26Å; L36-F83 HydrophobicContact CD1-CB 4.14Å; L36-F83 HydrophobicContact CD1-CD1 4.36Å; L36-F83 HydrophobicContact CD2-CD1 4.36Å; L36-F83 HydrophobicContact CG-CD1 4.37Å; E37-F83 CarbonylContact O-C 3.47Å; E37-F83 WeakPolarHBondContact O-CA 3.34Å; H38-F83 HydrophobicContact CB-CD1 3.66Å; H38-F83 HydrophobicContact CB-CE1 3.57Å; H38-F83 HydrophobicContact CB-CG 4.39Å; H38-F83 HydrophobicContact CB-CZ 4.25Å; H38-F83 AromaticContact CD2-CD1 3.98Å; H38-F83 AromaticContact CD2-CD2 3.84Å; H38-F83 AromaticContact CD2-CE1 3.88Å; H38-F83 AromaticContact CD2-CE2 3.72Å; H38-F83 AromaticContact CD2-CG 3.96Å; H38-F83 AromaticContact CD2-CZ 3.74Å; H38-F83 AromaticContact CG-CE1 3.79Å; H38-F83 AromaticContact CG-CZ 3.95Å; Y65-F83 HydrophobicContact CD1-CE1 4.38Å; Y65-F83 HydrophobicContact CD1-CZ 4.12Å; Y65-F83 HydrophobicContact CD2-CE1 4.39Å; Y65-F83 HydrophobicContact CE1-CZ 4.32Å; Y65-F83 HydrophobicContact CG-CE1 4.17Å; Y65-F83 HydrophobicContact CG-CZ 4.36Å; L78-F83 HydrophobicContact CD1-CE2 3.83Å; L78-F83 HydrophobicContact CD1-CZ 3.82Å; L78-F83 HydrophobicContact CG-CE2 4.45Å; F83-T109 VanDerWaalsContact O-CA 3.27Å; F83-T109 WeakPolarHBondContact O-CA 3.39Å; F83-F110 HydrophobicContact CB-CD1 3.83Å; F83-F110 HydrophobicContact CB-CD2 4Å; F83-F110 HydrophobicContact CB-CE1 3.46Å; F83-F110 VanDerWaalsContact CB-CE1 3.46Å; F83-F110 HydrophobicContact CB-CE2 3.63Å; F83-F110 HydrophobicContact CB-CG 4.09Å; F83-F110 HydrophobicContact CB-CZ 3.34Å; F83-F110 HydrophobicContact CD1-CZ 4.3Å; F83-F110 HydrophobicContact CD2-CD2 4.16Å; F83-F110 AromaticContact CD2-CE2 3.74Å; F83-F110 HydrophobicContact CD2-CE2 3.74Å; F83-F110 HydrophobicContact CD2-CZ 4.22Å; F83-F110 HydrophobicContact CG-CD2 4.36Å; F83-F110 HydrophobicContact CG-CE1 4.33Å; F83-F110 AromaticContact CG-CE2 3.73Å; F83-F110 HydrophobicContact CG-CE2 3.73Å; F83-F110 AromaticContact CG-CZ 3.71Å; F83-F110 HydrophobicContact CG-CZ 3.71Å; F83-F110 PolarHBondContact N-O 2.91Å; F83-F110 PolarHBondContact O-N 3.26Å |
| 84 | V | 87.2 | Confident | 81.2 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 110.8 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | E37 P82 T109 A232 | E37-V84 PolarHBondContact N-O 3.27Å; E37-V84 PolarHBondContact O-N 3.23Å; P82-V84 HydrophobicContact CG-CG2 4.22Å; V84-T109 HydrophobicContact CB-CG2 4.49Å; V84-T109 HydrophobicContact CG1-CG2 4.36Å; V84-T109 HydrophobicContact CG2-CG2 4.1Å; V84-A232 HydrophobicContact CG1-CB 3.9Å; V84-A232 HydrophobicContact CG2-CB 4.1Å |
| 85 | L | 88.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.9 | 171.3 | -166.8 | 80.2 | 0 | 0 | 0 | 108.7 | L17 V34 L36 Q107 A108 V143 I145 | L17-L85 HydrophobicContact CD1-CD2 4.11Å; L17-L85 HydrophobicContact CD2-CD1 4.41Å; V34-L85 HydrophobicContact CG1-CD1 3.29Å; V34-L85 HydrophobicContact CG1-CD2 4.11Å; V34-L85 HydrophobicContact CG1-CG 3.52Å; L36-L85 HydrophobicContact CD1-CB 4.45Å; L36-L85 HydrophobicContact CD1-CD1 3.95Å; L85-Q107 CarbonylContact O-C 3.6Å; L85-Q107 VanDerWaalsContact O-CA 3.23Å; L85-Q107 WeakPolarHBondContact O-CA 3.45Å; L85-A108 HydrophobicContact CB-CB 4.46Å; L85-A108 PolarHBondContact N-O 3.32Å; L85-A108 PolarHBondContact O-N 2.72Å; L85-V143 HydrophobicContact CD2-CG1 3.83Å; L85-V143 HydrophobicContact CD2-CG2 4.35Å; L85-I145 HydrophobicContact CD2-CD1 4.3Å |
| 86 | T | 87.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.8 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | V34 K35 Y88 L104 Q107 | V34-T86 WeakPolarHBondContact CA-O 3.35Å; K35-T86 PolarHBondContact N-O 3.07Å; K35-T86 PolarHBondContact O-N 3.17Å; T86-Y88 HydrophobicContact CG2-CD2 4.1Å; T86-Y88 HydrophobicContact CG2-CE1 4.05Å; T86-Y88 HydrophobicContact CG2-CE2 3.46Å; T86-Y88 VanDerWaalsContact CG2-CE2 3.46Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.44Å; T86-L104 HydrophobicContact CG2-CD1 3.16Å; T86-Q107 HydrophobicContact CG2-CG 3.99Å; T86-Q107 PolarHBondContact OG1-NE2 3.27Å; T86-Q107 VanDerWaalsContact OG1-NE2 3.08Å |
| 87 | V | 87.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.5 | 176.8 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | I20 F23 V34 W105 G106 L128 | I20-V87 HydrophobicContact CD1-CG2 4.11Å; F23-V87 HydrophobicContact CE2-CG1 4.47Å; V34-V87 HydrophobicContact CG1-CG2 4.34Å; V34-V87 HydrophobicContact CG2-CB 4.43Å; V34-V87 HydrophobicContact CG2-CG1 4.27Å; V34-V87 HydrophobicContact CG2-CG2 3.89Å; V87-W105 HydrophobicContact CB-CB 4.46Å; V87-W105 HydrophobicContact CG1-CB 4.27Å; V87-W105 HydrophobicContact CG1-CE3 4.49Å; V87-W105 WeakPolarHBondContact O-CA 3.38Å; V87-W105 WeakPolarHBondContact O-CB 3.44Å; V87-W105 PolarHBondContact O-N 3.15Å; V87-G106 PolarHBondContact N-O 3Å; V87-G106 PolarHBondContact O-N 3.02Å; V87-L128 HydrophobicContact CB-CD2 4.43Å; V87-L128 HydrophobicContact CG2-CD1 4.04Å; V87-L128 HydrophobicContact CG2-CD2 3.71Å |
| 88 | Y | 87.1 | Confident | 76.5 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.2 | 177.9 | -69.7 | -76.4 | 0 | 0 | 0 | 111.3 | Y32 S33 K35 T86 T102 E103 L104 | Y32-Y88 VanDerWaalsContact CA-O 3.29Å; Y32-Y88 WeakPolarHBondContact CA-O 3.43Å; S33-Y88 PolarHBondContact N-O 3.46Å; S33-Y88 PolarHBondContact O-N 2.72Å; K35-Y88 HydrophobicContact CB-CD2 4.29Å; K35-Y88 HydrophobicContact CB-CE2 3.87Å; K35-Y88 HydrophobicContact CD-CE2 4.28Å; T86-Y88 HydrophobicContact CG2-CD2 4.1Å; T86-Y88 HydrophobicContact CG2-CE1 4.05Å; T86-Y88 HydrophobicContact CG2-CE2 3.46Å; T86-Y88 VanDerWaalsContact CG2-CE2 3.46Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.44Å; Y88-T102 HydrophobicContact CD1-CG2 3.81Å; Y88-T102 HydrophobicContact CG-CG2 3.97Å; Y88-E103 CarbonylContact C-O 3.57Å; Y88-E103 WeakPolarHBondContact CA-O 3.38Å; Y88-L104 HydrophobicContact CE1-CB 4.37Å; Y88-L104 HydrophobicContact CE1-CD1 4.23Å |
| 89 | E | 84.4 | Confident | 75.1 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.1 | 169.7 | -175.4 | -176.4 | 178.5 | 0 | 0 | 109.7 | S30 Y32 K91 T102 E103 W105 | S30-E89 VanDerWaalsContact CB-OE1 3.3Å; S30-E89 WeakPolarHBondContact CB-OE1 3.16Å; S30-E89 PolarHBondContact OG-OE1 2.99Å; Y32-E89 HydrophobicContact CD1-CB 4.03Å; Y32-E89 HydrophobicContact CD1-CG 4.19Å; Y32-E89 HydrophobicContact CE1-CB 3.82Å; Y32-E89 HydrophobicContact CE1-CG 3.64Å; E89-K91 HydrophobicContact CG-CG 4.43Å; E89-T102 CarbonylContact O-C 3.58Å; E89-T102 WeakPolarHBondContact O-CA 3.44Å; E89-E103 PolarHBondContact N-O 3.31Å; E89-E103 PolarHBondContact O-N 3.46Å; E89-W105 HydrophobicContact CB-CB 4.39Å |
| 90 | H | 81.8 | Confident | 73.9 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 6% | 0.06 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 100.3 | 173.6 | -60.3 | -98.4 | 0 | 0 | 0 | 108.5 | K31 S33 E45 K48 T102 | K31-H90 PolarHBondContact N-O 2.9Å; K31-H90 VanDerWaalsContact N-O 3.07Å; K31-H90 WeakPolarHBondContact O-CA 3.23Å; K31-H90 WeakPolarHBondContact O-CB 3.23Å; K31-H90 PolarHBondContact O-N 3.47Å; S33-H90 PolarHBondContact OG-NE2 2.94Å; E45-H90 IonicContact OE1-NE2 2.86Å; K48-H90 PolarHBondContact NZ-ND1 3.18Å; H90-T102 PolarHBondContact CE1-OG1 3.23Å; H90-T102 PolarHBondContact ND1-OG1 2.99Å; H90-T102 VanDerWaalsContact ND1-OG1 3.11Å |
| 91 | K | 76.8 | Confident | 73.3 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 32% | 0.317 | 36% | 0.362 | S | S | . | . | trans | -68.3 | 144.8 | 176.9 | -71.4 | 176.3 | 174.5 | 169.1 | 0 | 110.6 | E89 K93 A100 K101 E103 | E89-K91 HydrophobicContact CG-CG 4.43Å; K91-K93 PolarHBondContact O-N 3.44Å; K91-A100 WeakPolarHBondContact O-CB 3.35Å; K91-K101 PolarHBondContact N-O 3.12Å; K91-E103 WeakPolarHBondContact CE-OE2 3.47Å; K91-E103 IonicContact NZ-OE1 2.79Å; K91-E103 IonicContact NZ-OE2 2.81Å; K91-E103 PolarHBondContact NZ-OE2 3.46Å | ||
| 92 | L | 66.9 | Low | 72.9 | Confident | 130 Ų | 130 | 78.6 Ų | 78.6 | 68% | 0.681 | 37% | 0.37 | S | S | * | . | trans | -56.7 | 141.3 | 177 | -148.8 | 93.3 | 0 | 0 | 0 | 110.1 | G29 D94 | G29-L92 WeakPolarHBondContact O-CD1 3.26Å; L92-D94 PolarHBondContact O-N 2.71Å | ||
| 93 | K | 58.1 | Low | 72.5 | Confident | 124 Ų | 124 | 81.1 Ų | 81.1 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | trans | -65.3 | 103.5 | -177.9 | -176.9 | 174.6 | 174.5 | 166.7 | 0 | 110.4 | K91 Q97 K98 | K91-K93 PolarHBondContact O-N 3.44Å; K93-Q97 WeakPolarHBondContact CE-O 3.42Å; K93-K98 VanDerWaalsContact CE-O 3.26Å; K93-K98 WeakPolarHBondContact CE-O 3.43Å; K93-K98 PolarHBondContact NZ-O 3.49Å | ||
| 94 | D | 58.3 | Low | 72.2 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | trans | -60.4 | 138.8 | 166.1 | -94.1 | -31.4 | 0 | 0 | 0 | 110 | L92 K96 Q97 | L92-D94 PolarHBondContact O-N 2.71Å; D94-K96 PolarHBondContact O-N 2.84Å; D94-Q97 PolarHBondContact O-N 3.2Å | ||
| 95 | K | 59.4 | Low | 71.9 | Confident | 218 Ų | 218 | 83.4 Ų | 83.4 | 95% | 0.948 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -12.2 | -175.3 | -70.7 | -177.6 | 177.7 | 177.3 | 0 | 115 | ||
| 96 | K | 58.3 | Low | 71.6 | Confident | 212 Ų | 212 | 83.4 Ų | 83.4 | 92% | 0.922 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12 | 179.4 | -74.9 | -175.7 | 176 | 178.8 | 0 | 115.3 | D94 | D94-K96 PolarHBondContact O-N 2.84Š|
| 97 | Q | 50.5 | Low | 71.6 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | trans | -108.4 | 139.4 | 179.4 | -71.6 | -177.5 | 10.3 | 0 | 0 | 111.4 | K93 D94 E99 | K93-Q97 WeakPolarHBondContact CE-O 3.42Å; D94-Q97 PolarHBondContact O-N 3.2Å; Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 2.9Å | ||
| 98 | K | 56.4 | Low | 71.4 | Confident | 193 Ų | 193 | 83.9 Ų | 83.9 | 84% | 0.839 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -68.8 | -29 | -179.8 | -105.4 | -178.2 | 175.9 | -179.9 | 0 | 112.3 | K93 | K93-K98 VanDerWaalsContact CE-O 3.26Å; K93-K98 WeakPolarHBondContact CE-O 3.43Å; K93-K98 PolarHBondContact NZ-O 3.49Å |
| 99 | E | 54.8 | Low | 71.3 | Confident | 160 Ų | 160 | 81.2 Ų | 81.2 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -129.1 | 148.8 | -174.8 | -69.8 | 174.7 | 177.4 | 0 | 0 | 110.5 | Q97 | Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 2.9Å |
| 100 | A | 60.3 | Low | 71.4 | Confident | 37 Ų | 37 | 81 Ų | 81 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | trans | -65.6 | 132.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | K91 T102 | K91-A100 WeakPolarHBondContact O-CB 3.35Å; A100-T102 PolarHBondContact O-N 3.24Å | ||
| 101 | K | 70.8 | Confident | 71.5 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | trans | -74.1 | 111.8 | 177.7 | -163 | -176.9 | -177 | -156.7 | 0 | 108.6 | K91 E103 | K91-K101 PolarHBondContact N-O 3.12Å; K101-E103 HydrophobicContact CD-CG 4.39Å; K101-E103 WeakPolarHBondContact CD-OE1 3.37Å; K101-E103 WeakPolarHBondContact CE-OE1 3.37Å; K101-E103 HydrophobicContact CG-CG 4.29Å; K101-E103 IonicContact NZ-OE1 3.22Å; K101-E103 PolarHBondContact NZ-OE1 3.35Å | ||
| 102 | T | 78.1 | Confident | 71.7 | Confident | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.4 | 173 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | Y88 E89 H90 A100 | Y88-T102 HydrophobicContact CD1-CG2 3.81Å; Y88-T102 HydrophobicContact CG-CG2 3.97Å; E89-T102 CarbonylContact O-C 3.58Å; E89-T102 WeakPolarHBondContact O-CA 3.44Å; H90-T102 PolarHBondContact CE1-OG1 3.23Å; H90-T102 PolarHBondContact ND1-OG1 2.99Å; H90-T102 VanDerWaalsContact ND1-OG1 3.11Å; A100-T102 PolarHBondContact O-N 3.24Å |
| 103 | E | 81.1 | Confident | 72.6 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.5 | 177.9 | -70.7 | -177.7 | 172.9 | 0 | 0 | 110.3 | Y88 E89 K91 K101 W105 | Y88-E103 CarbonylContact C-O 3.57Å; Y88-E103 WeakPolarHBondContact CA-O 3.38Å; E89-E103 PolarHBondContact N-O 3.31Å; E89-E103 PolarHBondContact O-N 3.46Å; K91-E103 WeakPolarHBondContact CE-OE2 3.47Å; K91-E103 IonicContact NZ-OE1 2.79Å; K91-E103 IonicContact NZ-OE2 2.81Å; K91-E103 PolarHBondContact NZ-OE2 3.46Å; K101-E103 HydrophobicContact CD-CG 4.39Å; K101-E103 WeakPolarHBondContact CD-OE1 3.37Å; K101-E103 WeakPolarHBondContact CE-OE1 3.37Å; K101-E103 HydrophobicContact CG-CG 4.29Å; K101-E103 IonicContact NZ-OE1 3.22Å; K101-E103 PolarHBondContact NZ-OE1 3.35Å; E103-W105 PolarHBondContact O-N 3.08Å |
| 104 | L | 83 | Confident | 73.8 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 118.6 | 174.2 | 173.7 | 63.4 | 0 | 0 | 0 | 109.2 | T86 Y88 Q107 | T86-L104 HydrophobicContact CG2-CD1 3.16Å; Y88-L104 HydrophobicContact CE1-CB 4.37Å; Y88-L104 HydrophobicContact CE1-CD1 4.23Å; L104-Q107 HydrophobicContact CD1-CG 3.93Å |
| 105 | W | 80.7 | Confident | 75 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -49.1 | 179.8 | -169.2 | 93.9 | 0 | 0 | 0 | 111.8 | F23 V24 Y32 V87 E89 E103 L128 R130 P141 | F23-W105 AromaticContact CD2-CH2 3.57Å; F23-W105 HydrophobicContact CD2-CH2 3.57Å; F23-W105 AromaticContact CD2-CZ2 3.87Å; F23-W105 HydrophobicContact CD2-CZ2 3.87Å; F23-W105 HydrophobicContact CD2-CZ3 4.02Å; F23-W105 HydrophobicContact CE1-CZ2 4.31Å; F23-W105 AromaticContact CE2-CD2 3.82Å; F23-W105 HydrophobicContact CE2-CD2 3.82Å; F23-W105 AromaticContact CE2-CE2 3.67Å; F23-W105 AromaticContact CE2-CE3 3.76Å; F23-W105 HydrophobicContact CE2-CE3 3.76Å; F23-W105 AromaticContact CE2-CH2 3.39Å; F23-W105 HydrophobicContact CE2-CH2 3.39Å; F23-W105 AromaticContact CE2-CZ2 3.46Å; F23-W105 HydrophobicContact CE2-CZ2 3.46Å; F23-W105 VanDerWaalsContact CE2-CZ2 3.46Å; F23-W105 AromaticContact CE2-CZ3 3.58Å; F23-W105 HydrophobicContact CE2-CZ3 3.58Å; F23-W105 HydrophobicContact CG-CH2 4.43Å; F23-W105 HydrophobicContact CG-CZ2 4.46Å; F23-W105 AromaticContact CZ-CD2 3.96Å; F23-W105 HydrophobicContact CZ-CD2 3.96Å; F23-W105 AromaticContact CZ-CE2 3.62Å; F23-W105 HydrophobicContact CZ-CE3 4.37Å; F23-W105 HydrophobicContact CZ-CG 4.49Å; F23-W105 HydrophobicContact CZ-CH2 4.13Å; F23-W105 AromaticContact CZ-CZ2 3.7Å; F23-W105 HydrophobicContact CZ-CZ2 3.7Å; F23-W105 HydrophobicContact CZ-CZ3 4.47Å; F23-W105 AromaticContact CZ-NE1 3.97Å; V24-W105 WeakPolarHBondContact O-CZ2 3.35Å; Y32-W105 AromaticContact CE1-CD1 3.83Å; Y32-W105 HydrophobicContact CE1-CG 4.42Å; V87-W105 HydrophobicContact CB-CB 4.46Å; V87-W105 HydrophobicContact CG1-CB 4.27Å; V87-W105 HydrophobicContact CG1-CE3 4.49Å; V87-W105 WeakPolarHBondContact O-CA 3.38Å; V87-W105 WeakPolarHBondContact O-CB 3.44Å; V87-W105 PolarHBondContact O-N 3.15Å; E89-W105 HydrophobicContact CB-CB 4.39Å; E103-W105 PolarHBondContact O-N 3.08Å; W105-L128 HydrophobicContact CE3-CD2 3.82Å; W105-L128 HydrophobicContact CE3-CG 4.39Å; W105-L128 HydrophobicContact CH2-CD2 4.45Å; W105-L128 HydrophobicContact CZ3-CD2 3.37Å; W105-L128 HydrophobicContact CZ3-CG 3.94Å; W105-R130 WeakPolarHBondContact O-CG 3.49Å; W105-P141 HydrophobicContact CH2-CB 4.37Å; W105-P141 HydrophobicContact CH2-CG 3.59Å; W105-P141 HydrophobicContact CZ3-CG 4.04Å |
| 106 | G | 82.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 165.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V87 F129 | V87-G106 PolarHBondContact N-O 3Å; V87-G106 PolarHBondContact O-N 3.02Å; G106-F129 CarbonylContact C-O 3.45Å; G106-F129 WeakPolarHBondContact CA-O 3.15Å |
| 107 | Q | 86.3 | Confident | 77.2 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.9 | -178.4 | -65.6 | -177.6 | -56.5 | 0 | 0 | 112.2 | L85 T86 L104 L128 F129 S231 R233 A236 | L85-Q107 CarbonylContact O-C 3.6Å; L85-Q107 VanDerWaalsContact O-CA 3.23Å; L85-Q107 WeakPolarHBondContact O-CA 3.45Å; T86-Q107 HydrophobicContact CG2-CG 3.99Å; T86-Q107 PolarHBondContact OG1-NE2 3.27Å; T86-Q107 VanDerWaalsContact OG1-NE2 3.08Å; L104-Q107 HydrophobicContact CD1-CG 3.93Å; Q107-L128 VanDerWaalsContact C-CD1 3.48Å; Q107-F129 PolarHBondContact N-O 3.18Å; Q107-F129 PolarHBondContact O-N 3.18Å; Q107-S231 PolarHBondContact NE2-O 3.31Å; Q107-R233 VanDerWaalsContact OE1-N 3.07Å; Q107-A236 HydrophobicContact CB-CB 3.58Å |
| 108 | A | 84.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L85 L126 L128 | L85-A108 HydrophobicContact CB-CB 4.46Å; L85-A108 PolarHBondContact N-O 3.32Å; L85-A108 PolarHBondContact O-N 2.72Å; A108-L126 HydrophobicContact CB-CB 4.13Å; A108-L126 HydrophobicContact CB-CD1 4.3Å; A108-L128 HydrophobicContact CB-CD1 3.95Å |
| 109 | T | 85.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.1 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | P82 F83 V84 A232 A236 I238 | P82-T109 HydrophobicContact CB-CG2 4.29Å; F83-T109 VanDerWaalsContact O-CA 3.27Å; F83-T109 WeakPolarHBondContact O-CA 3.39Å; V84-T109 HydrophobicContact CB-CG2 4.49Å; V84-T109 HydrophobicContact CG1-CG2 4.36Å; V84-T109 HydrophobicContact CG2-CG2 4.1Å; T109-A232 HydrophobicContact CG2-CB 3.78Å; T109-A236 WeakPolarHBondContact CG2-O 3.45Å; T109-A236 PolarHBondContact OG1-O 2.59Å; T109-I238 PolarHBondContact OG1-O 2.97Å |
| 110 | F | 86.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 168 | 171.5 | 65.3 | -81.9 | 0 | 0 | 0 | 110.2 | I15 L36 P82 F83 M124 L126 I145 V147 | I15-F110 HydrophobicContact CD1-CE2 4.45Å; I15-F110 HydrophobicContact CD1-CZ 4.19Å; I15-F110 HydrophobicContact CG2-CZ 3.9Å; L36-F110 HydrophobicContact CD1-CE1 3.86Å; L36-F110 HydrophobicContact CD1-CZ 4.07Å; P82-F110 CarbonylContact C-O 3.53Å; P82-F110 WeakPolarHBondContact CA-O 3.4Å; F83-F110 HydrophobicContact CB-CD1 3.83Å; F83-F110 HydrophobicContact CB-CD2 4Å; F83-F110 HydrophobicContact CB-CE1 3.46Å; F83-F110 VanDerWaalsContact CB-CE1 3.46Å; F83-F110 HydrophobicContact CB-CE2 3.63Å; F83-F110 HydrophobicContact CB-CG 4.09Å; F83-F110 HydrophobicContact CB-CZ 3.34Å; F83-F110 HydrophobicContact CD1-CZ 4.3Å; F83-F110 HydrophobicContact CD2-CD2 4.16Å; F83-F110 AromaticContact CD2-CE2 3.74Å; F83-F110 HydrophobicContact CD2-CE2 3.74Å; F83-F110 HydrophobicContact CD2-CZ 4.22Å; F83-F110 HydrophobicContact CG-CD2 4.36Å; F83-F110 HydrophobicContact CG-CE1 4.33Å; F83-F110 AromaticContact CG-CE2 3.73Å; F83-F110 HydrophobicContact CG-CE2 3.73Å; F83-F110 AromaticContact CG-CZ 3.71Å; F83-F110 HydrophobicContact CG-CZ 3.71Å; F83-F110 PolarHBondContact N-O 2.91Å; F83-F110 PolarHBondContact O-N 3.26Å; F110-M124 HydrophobicContact CB-CE 3.69Å; F110-M124 HydrophobicContact CB-SD 3.37Å; F110-M124 WeakPolarHBondContact CB-SD 3.24Å; F110-M124 HydrophobicContact CD1-SD 4.45Å; F110-M124 HydrophobicContact CD2-SD 3.69Å; F110-M124 HydrophobicContact CG-CE 4.5Å; F110-M124 HydrophobicContact CG-SD 3.61Å; F110-L126 HydrophobicContact CB-CD1 3.7Å; F110-L126 HydrophobicContact CB-CD2 4.11Å; F110-L126 HydrophobicContact CD1-CD1 3.58Å; F110-L126 HydrophobicContact CG-CD1 3.96Å; F110-I145 HydrophobicContact CD1-CD1 4.17Å; F110-I145 HydrophobicContact CE1-CD1 3.99Å; F110-V147 HydrophobicContact CE2-CG2 4.08Å |
| 111 | D | 82.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | trans | -118.4 | 162 | 179.7 | 61.2 | 50.8 | 0 | 0 | 0 | 111.5 | L113 P114 Y122 W226 T241 R284 | D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 VanDerWaalsContact OD1-CB 3.24Å; D111-L113 WeakPolarHBondContact OD1-CB 3.28Å; D111-L113 PolarHBondContact OD1-N 3.43Å; D111-L113 VanDerWaalsContact OD1-N 3.12Å; D111-P114 WeakPolarHBondContact OD1-CD 3.39Å; D111-Y122 PolarHBondContact O-OH 3.15Å; D111-W226 HydrophobicContact CB-CH2 3.64Å; D111-W226 HydrophobicContact CB-CZ2 3.81Å; D111-T241 WeakPolarHBondContact OD2-CB 3.45Å; D111-T241 PolarHBondContact OD2-OG1 2.91Å; D111-R284 IonicContact OD2-CZ 3.12Å; D111-R284 IonicContact OD2-NH1 3.92Å; D111-R284 PolarHBondContact OD2-NH1 3.4Å; D111-R284 IonicContact OD2-NH2 2.83Å | ||
| 112 | G | 82.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -94.3 | 18.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L78 P114 L115 V116 | L78-G112 PolarHBondContact O-N 2.91Å; G112-P114 VanDerWaalsContact C-CD 3.49Å; G112-L115 WeakPolarHBondContact O-CB 3.45Å; G112-L115 PolarHBondContact O-N 3.46Å; G112-L115 VanDerWaalsContact O-N 3.11Å; G112-V116 PolarHBondContact O-N 3.25Å |
| 113 | L | 84.8 | Confident | 84 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -41.4 | -177.5 | -178.8 | 65 | 0 | 0 | 0 | 112.4 | D111 L115 V116 K117 I164 Y166 | D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 VanDerWaalsContact OD1-CB 3.24Å; D111-L113 WeakPolarHBondContact OD1-CB 3.28Å; D111-L113 PolarHBondContact OD1-N 3.43Å; D111-L113 VanDerWaalsContact OD1-N 3.12Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 3Å; L113-V116 PolarHBondContact O-N 3.44Å; L113-K117 HydrophobicContact CG-CD 4.45Å; L113-K117 HydrophobicContact CG-CG 4.49Å; L113-K117 PolarHBondContact O-N 3.08Å; L113-I164 HydrophobicContact CD1-CD1 3.54Å; L113-Y166 HydrophobicContact CD2-CE1 4.49Å |
| 114 | P | 83.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 22% | 0.221 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.1 | -35.9 | 176 | -26.5 | 35.7 | 0 | 0 | 0 | 113.7 | D111 G112 V116 K117 S119 Y122 | D111-P114 WeakPolarHBondContact OD1-CD 3.39Å; G112-P114 VanDerWaalsContact C-CD 3.49Å; P114-V116 VanDerWaalsContact C-N 3.31Å; P114-V116 PolarHBondContact O-N 2.92Å; P114-K117 CarbonylContact O-C 3.53Å; P114-K117 PolarHBondContact O-N 2.72Å; P114-K117 VanDerWaalsContact O-N 3.16Å; P114-S119 WeakPolarHBondContact O-CB 3.37Å; P114-S119 PolarHBondContact O-N 2.7Å; P114-S119 PolarHBondContact O-OG 3.39Å; P114-S119 VanDerWaalsContact O-OG 3.13Å; P114-Y122 HydrophobicContact CB-CD1 3.66Å; P114-Y122 HydrophobicContact CB-CD2 4.27Å; P114-Y122 HydrophobicContact CB-CE1 3.88Å; P114-Y122 HydrophobicContact CB-CE2 4.43Å; P114-Y122 HydrophobicContact CB-CG 3.88Å; P114-Y122 HydrophobicContact CG-CD1 4.28Å; P114-Y122 HydrophobicContact CG-CD2 4.08Å; P114-Y122 HydrophobicContact CG-CE1 4.24Å; P114-Y122 HydrophobicContact CG-CE2 4.01Å; P114-Y122 HydrophobicContact CG-CG 4.21Å |
| 115 | L | 84 | Confident | 84.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -33.7 | 177.2 | -58.4 | 177.4 | 0 | 0 | 0 | 112.4 | I13 L78 G112 L113 K117 S119 Y122 V147 I149 | I13-L115 HydrophobicContact CD1-CD1 3.69Å; I13-L115 HydrophobicContact CG1-CD1 4.14Å; I13-L115 HydrophobicContact CG2-CD1 3.68Å; L78-L115 HydrophobicContact CD2-CB 4.31Å; L78-L115 HydrophobicContact CD2-CD1 4.37Å; G112-L115 WeakPolarHBondContact O-CB 3.45Å; G112-L115 PolarHBondContact O-N 3.46Å; G112-L115 VanDerWaalsContact O-N 3.11Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 3Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-S119 WeakPolarHBondContact CD2-O 3.37Å; L115-Y122 HydrophobicContact CD1-CE1 4.37Å; L115-Y122 HydrophobicContact CD2-CD1 3.95Å; L115-Y122 HydrophobicContact CD2-CE1 3.62Å; L115-Y122 HydrophobicContact CG-CD1 4.41Å; L115-Y122 HydrophobicContact CG-CE1 3.66Å; L115-V147 HydrophobicContact CD1-CG1 3.86Å; L115-V147 HydrophobicContact CD2-CG1 4.28Å; L115-V147 HydrophobicContact CG-CG1 4.41Å; L115-I149 HydrophobicContact CD2-CG2 4.01Å |
| 116 | V | 82.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.5 | -31.5 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | V75 L78 G112 L113 P114 N118 L153 L154 Y159 I164 | V75-V116 HydrophobicContact CG1-CG2 4.4Å; L78-V116 HydrophobicContact CB-CG2 4.4Å; L78-V116 HydrophobicContact CD2-CG2 3.95Å; G112-V116 PolarHBondContact O-N 3.25Å; L113-V116 PolarHBondContact O-N 3.44Å; P114-V116 VanDerWaalsContact C-N 3.31Å; P114-V116 PolarHBondContact O-N 2.92Å; V116-N118 PolarHBondContact O-N 2.7Å; V116-L153 HydrophobicContact CG2-CD2 4.05Å; V116-L154 HydrophobicContact CG1-CD1 4.11Å; V116-Y159 WeakPolarHBondContact O-CD2 3.3Å; V116-Y159 VanDerWaalsContact O-CE2 3.24Å; V116-Y159 WeakPolarHBondContact O-CE2 3.36Å; V116-I164 HydrophobicContact CG1-CD1 4.43Å |
| 117 | K | 81.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 30.2 | 173.2 | -61.6 | -169.6 | 179.7 | -161.1 | 0 | 113.5 | L113 P114 L115 S119 Y159 E474 | L113-K117 HydrophobicContact CG-CD 4.45Å; L113-K117 HydrophobicContact CG-CG 4.49Å; L113-K117 PolarHBondContact O-N 3.08Å; P114-K117 CarbonylContact O-C 3.53Å; P114-K117 PolarHBondContact O-N 2.72Å; P114-K117 VanDerWaalsContact O-N 3.16Å; L115-K117 VanDerWaalsContact C-N 3.33Å; K117-S119 PolarHBondContact O-N 3.16Å; K117-Y159 HydrophobicContact CB-CE2 4.48Å; K117-E474 WeakPolarHBondContact CE-OE1 3.32Å; K117-E474 IonicContact NZ-OE1 3.81Å; K117-E474 PolarHBondContact NZ-OE1 2.88Å; K117-E474 IonicContact NZ-OE2 3.37Å; K117-E474 PolarHBondContact NZ-OE2 3.3Å |
| 118 | N | 77.7 | Confident | 84.4 | Confident | 31 Ų | 31 | 33.3 Ų | 33.3 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 22.2 | -179.6 | -70 | -0.3 | 0 | 0 | 0 | 116.1 | V116 L154 D156 Y159 | V116-N118 PolarHBondContact O-N 2.7Å; N118-L154 PolarHBondContact OD1-O 3.04Å; N118-D156 PolarHBondContact ND2-OD1 3.34Å; N118-Y159 VanDerWaalsContact ND2-CB 3.34Å; N118-Y159 WeakPolarHBondContact ND2-CB 3.25Å |
| 119 | S | 83.5 | Confident | 84 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | trans | -80.7 | 131.2 | 169.1 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | P114 L115 K117 | P114-S119 WeakPolarHBondContact O-CB 3.37Å; P114-S119 PolarHBondContact O-N 2.7Å; P114-S119 PolarHBondContact O-OG 3.39Å; P114-S119 VanDerWaalsContact O-OG 3.13Å; L115-S119 WeakPolarHBondContact CD2-O 3.37Å; K117-S119 PolarHBondContact O-N 3.16Å | ||
| 120 | T | 85.2 | Confident | 83.4 | Confident | 57 Ų | 57 | 38.2 Ų | 38.2 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -87.5 | -25.9 | 175.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | S148 I149 P152 | T120-S148 CarbonylContact O-C 3.51Å; T120-S148 WeakPolarHBondContact O-CA 3.47Å; T120-I149 WeakPolarHBondContact O-CG2 3.38Å; T120-I149 PolarHBondContact O-N 3.19Å; T120-P152 HydrophobicContact CG2-CB 4.44Å; T120-P152 HydrophobicContact CG2-CG 3.75Å |
| 121 | E | 89.8 | Confident | 82.2 | Confident | 132 Ų | 132 | 45.1 Ų | 45.1 | 62% | 0.617 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146 | 175 | 61.8 | -176 | -170.5 | 0 | 0 | 109.9 | V147 | E121-V147 CarbonylContact C-O 3.51Å; E121-V147 WeakPolarHBondContact CA-O 3.42Å |
| 122 | Y | 88.5 | Confident | 80.6 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 145.8 | 168.8 | 65.9 | -78.6 | 0 | 0 | 0 | 109.6 | D111 P114 L115 M124 V147 | D111-Y122 PolarHBondContact O-OH 3.15Å; P114-Y122 HydrophobicContact CB-CD1 3.66Å; P114-Y122 HydrophobicContact CB-CD2 4.27Å; P114-Y122 HydrophobicContact CB-CE1 3.88Å; P114-Y122 HydrophobicContact CB-CE2 4.43Å; P114-Y122 HydrophobicContact CB-CG 3.88Å; P114-Y122 HydrophobicContact CG-CD1 4.28Å; P114-Y122 HydrophobicContact CG-CD2 4.08Å; P114-Y122 HydrophobicContact CG-CE1 4.24Å; P114-Y122 HydrophobicContact CG-CE2 4.01Å; P114-Y122 HydrophobicContact CG-CG 4.21Å; L115-Y122 HydrophobicContact CD1-CE1 4.37Å; L115-Y122 HydrophobicContact CD2-CD1 3.95Å; L115-Y122 HydrophobicContact CD2-CE1 3.62Å; L115-Y122 HydrophobicContact CG-CD1 4.41Å; L115-Y122 HydrophobicContact CG-CE1 3.66Å; Y122-M124 HydrophobicContact CD2-CE 4.5Å; Y122-M124 HydrophobicContact CE2-CE 3.87Å; Y122-M124 HydrophobicContact CE2-CG 4.44Å; Y122-M124 HydrophobicContact CE2-SD 3.9Å; Y122-V147 HydrophobicContact CD1-CB 4.09Å; Y122-V147 HydrophobicContact CE1-CB 3.5Å; Y122-V147 HydrophobicContact CE1-CG1 3.64Å; Y122-V147 HydrophobicContact CE1-CG2 4.18Å; Y122-V147 HydrophobicContact CE2-CB 4.19Å; Y122-V147 HydrophobicContact CE2-CG2 4.07Å; Y122-V147 PolarHBondContact N-O 3.32Å; Y122-V147 PolarHBondContact O-N 3.23Å |
| 123 | E | 89.4 | Confident | 79 | Confident | 118 Ų | 118 | 52.7 Ų | 52.7 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.8 | 176.1 | -171 | -178.7 | 172.9 | 0 | 0 | 109.3 | I145 L146 | E123-I145 CarbonylContact C-O 3.47Å; E123-I145 WeakPolarHBondContact CA-O 3.5Å; E123-L146 HydrophobicContact CB-CD1 4.34Å |
| 124 | M | 86.1 | Confident | 77.1 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.8 | 176.1 | 59 | -178.9 | 2.7 | 0 | 0 | 112.3 | F110 Y122 L126 I145 T241 | F110-M124 HydrophobicContact CB-CE 3.69Å; F110-M124 HydrophobicContact CB-SD 3.37Å; F110-M124 WeakPolarHBondContact CB-SD 3.24Å; F110-M124 HydrophobicContact CD1-SD 4.45Å; F110-M124 HydrophobicContact CD2-SD 3.69Å; F110-M124 HydrophobicContact CG-CE 4.5Å; F110-M124 HydrophobicContact CG-SD 3.61Å; Y122-M124 HydrophobicContact CD2-CE 4.5Å; Y122-M124 HydrophobicContact CE2-CE 3.87Å; Y122-M124 HydrophobicContact CE2-CG 4.44Å; Y122-M124 HydrophobicContact CE2-SD 3.9Å; M124-L126 HydrophobicContact CB-CD2 4.42Å; M124-L126 HydrophobicContact CE-CD2 3.92Å; M124-L126 HydrophobicContact CG-CD2 4.25Å; M124-L126 HydrophobicContact CG-CG 4.18Å; M124-L126 HydrophobicContact SD-CD1 4.1Å; M124-L126 HydrophobicContact SD-CD2 3.92Å; M124-L126 HydrophobicContact SD-CG 4.13Å; M124-I145 HydrophobicContact CG-CB 4Å; M124-I145 PolarHBondContact N-O 3.34Å; M124-I145 PolarHBondContact O-N 3.49Å; M124-T241 HydrophobicContact CE-CG2 4.37Å |
| 125 | N | 86.5 | Confident | 75.5 | Confident | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 100.3 | 176.3 | -67.8 | -37.9 | 0 | 0 | 0 | 108.8 | V143 E144 | N125-V143 CarbonylContact C-O 3.57Å; N125-V143 WeakPolarHBondContact CA-O 3.33Å; N125-E144 WeakPolarHBondContact OD1-CG 3.37Å |
| 126 | L | 84 | Confident | 74.3 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137 | -175.3 | -58.3 | 179.3 | 0 | 0 | 0 | 111.3 | A108 F110 M124 T142 V143 I145 | A108-L126 HydrophobicContact CB-CB 4.13Å; A108-L126 HydrophobicContact CB-CD1 4.3Å; F110-L126 HydrophobicContact CB-CD1 3.7Å; F110-L126 HydrophobicContact CB-CD2 4.11Å; F110-L126 HydrophobicContact CD1-CD1 3.58Å; F110-L126 HydrophobicContact CG-CD1 3.96Å; M124-L126 HydrophobicContact CB-CD2 4.42Å; M124-L126 HydrophobicContact CE-CD2 3.92Å; M124-L126 HydrophobicContact CG-CD2 4.25Å; M124-L126 HydrophobicContact CG-CG 4.18Å; M124-L126 HydrophobicContact SD-CD1 4.1Å; M124-L126 HydrophobicContact SD-CD2 3.92Å; M124-L126 HydrophobicContact SD-CG 4.13Å; L126-T142 CarbonylContact O-C 3.6Å; L126-T142 WeakPolarHBondContact O-CA 3.44Å; L126-V143 HydrophobicContact CB-CB 4.44Å; L126-V143 PolarHBondContact N-O 3.11Å; L126-V143 PolarHBondContact O-N 3.39Å; L126-I145 HydrophobicContact CD1-CD1 3.56Å; L126-I145 HydrophobicContact CG-CD1 4.38Å |
| 127 | K | 83.5 | Confident | 73.1 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.8 | 172.7 | -68.3 | -81.4 | 174.8 | 177.1 | 0 | 109.5 | F129 F137 D138 L140 T142 Q240 | K127-F129 HydrophobicContact CB-CZ 4.5Å; K127-F137 HydrophobicContact CG-CE1 4.23Å; K127-D138 PolarHBondContact NZ-O 3.31Å; K127-L140 HydrophobicContact CB-CB 4.46Å; K127-L140 HydrophobicContact CD-CB 3.84Å; K127-L140 PolarHBondContact NZ-O 2.97Å; K127-T142 HydrophobicContact CD-CG2 3.61Å; K127-T142 HydrophobicContact CG-CG2 4.43Å; K127-T142 VanDerWaalsContact NZ-CG2 3.35Å; K127-Q240 PolarHBondContact O-NE2 3.45Å |
| 128 | L | 80.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -94.1 | 113.8 | -177.6 | -170.6 | 61.6 | 0 | 0 | 0 | 110.2 | I20 V87 W105 Q107 A108 P141 V143 | I20-L128 HydrophobicContact CD1-CD2 4.17Å; I20-L128 HydrophobicContact CG2-CD2 4.29Å; V87-L128 HydrophobicContact CB-CD2 4.43Å; V87-L128 HydrophobicContact CG2-CD1 4.04Å; V87-L128 HydrophobicContact CG2-CD2 3.71Å; W105-L128 HydrophobicContact CE3-CD2 3.82Å; W105-L128 HydrophobicContact CE3-CG 4.39Å; W105-L128 HydrophobicContact CH2-CD2 4.45Å; W105-L128 HydrophobicContact CZ3-CD2 3.37Å; W105-L128 HydrophobicContact CZ3-CG 3.94Å; Q107-L128 VanDerWaalsContact C-CD1 3.48Å; A108-L128 HydrophobicContact CB-CD1 3.95Å; L128-P141 HydrophobicContact CB-CB 4.22Å; L128-P141 PolarHBondContact N-O 3.48Å; L128-V143 HydrophobicContact CB-CG2 3.97Å; L128-V143 HydrophobicContact CD1-CG2 4.36Å; L128-V143 HydrophobicContact CD2-CG2 4.13Å; L128-V143 HydrophobicContact CG-CG2 4.4Å | ||
| 129 | F | 75.5 | Confident | 71.6 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 10% | 0.096 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.8 | -177.2 | -64.8 | -76.4 | 0 | 0 | 0 | 111.5 | G106 Q107 K127 F137 L140 F235 | G106-F129 CarbonylContact C-O 3.45Å; G106-F129 WeakPolarHBondContact CA-O 3.15Å; Q107-F129 PolarHBondContact N-O 3.18Å; Q107-F129 PolarHBondContact O-N 3.18Å; K127-F129 HydrophobicContact CB-CZ 4.5Å; F129-F137 HydrophobicContact CE1-CD2 4.15Å; F129-F137 AromaticContact CE1-CE2 3.6Å; F129-F137 HydrophobicContact CE1-CE2 3.6Å; F129-F137 HydrophobicContact CE1-CZ 4.26Å; F129-F137 AromaticContact CZ-CE2 3.55Å; F129-F137 HydrophobicContact CZ-CE2 3.55Å; F129-F137 AromaticContact CZ-CZ 3.82Å; F129-F137 HydrophobicContact CZ-CZ 3.82Å; F129-L140 HydrophobicContact CD1-CD1 3.73Å; F129-L140 HydrophobicContact CD1-CD2 4.44Å; F129-L140 HydrophobicContact CE1-CD1 3.49Å; F129-L140 VanDerWaalsContact CE1-CD1 3.49Å; F129-L140 HydrophobicContact CZ-CD1 4.41Å; F129-F235 HydrophobicContact CB-CB 4.21Å; F129-F235 HydrophobicContact CD1-CB 3.6Å; F129-F235 HydrophobicContact CD1-CG 4.42Å; F129-F235 HydrophobicContact CD2-CB 4.25Å; F129-F235 HydrophobicContact CE1-CB 3.97Å; F129-F235 HydrophobicContact CG-CB 3.76Å; F129-F235 HydrophobicContact CZ-CB 4.43Å |
| 130 | R | 73.5 | Confident | 71.1 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.2 | 175.7 | 179.9 | 164.8 | -172.5 | -170 | -1.3 | 110.6 | W105 C132 S133 | W105-R130 WeakPolarHBondContact O-CG 3.49Å; R130-C132 PolarHBondContact O-N 2.93Å; R130-S133 PolarHBondContact O-OG 3.1Å |
| 131 | Q | 60.9 | Low | 70.9 | Confident | 147 Ų | 147 | 72.3 Ų | 72.3 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.2 | -173.8 | -166.2 | 171 | -1.7 | 0 | 0 | 114.4 | ||
| 132 | C | 48.7 | Very low | 70.7 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 79% | 0.791 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 12.1 | -170.7 | -160.2 | 0 | 0 | 0 | 0 | 114.9 | R130 | R130-C132 PolarHBondContact O-N 2.93Š|
| 133 | S | 49.1 | Very low | 70.6 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | trans | -91.5 | 118 | -174.9 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | R130 T135 | R130-S133 PolarHBondContact O-OG 3.1Å; S133-T135 VanDerWaalsContact CB-OG1 3.32Å; S133-T135 WeakPolarHBondContact CB-OG1 3.36Å; S133-T135 PolarHBondContact O-N 2.9Å; S133-T135 PolarHBondContact OG-OG1 3.26Å | ||
| 134 | T | 46.2 | Very low | 70.6 | Confident | 153 Ų | 153 | 61.3 Ų | 61.3 | 94% | 0.939 | 33% | 0.333 | S | S | * | . | trans | -78.1 | 24.8 | 163.6 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 135 | T | 50.2 | Low | 70.8 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | trans | -77.2 | 149.1 | -176.1 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | S133 | S133-T135 VanDerWaalsContact CB-OG1 3.32Å; S133-T135 WeakPolarHBondContact CB-OG1 3.36Å; S133-T135 PolarHBondContact O-N 2.9Å; S133-T135 PolarHBondContact OG-OG1 3.26Å | ||
| 136 | S | 57.5 | Low | 71 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | trans | -58.5 | 154.5 | 168.6 | 82.1 | 0 | 0 | 0 | 0 | 109.9 | D138 D139 | S136-D138 PolarHBondContact O-N 3.46Å; S136-D139 PolarHBondContact O-N 3.04Å; S136-D139 PolarHBondContact OG-N 3.32Å; S136-D139 PolarHBondContact OG-OD2 3.44Å | ||
| 137 | F | 58.2 | Low | 71.3 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -62.1 | -30.2 | -179.8 | -158 | -89.7 | 0 | 0 | 0 | 112 | K127 F129 L140 | K127-F137 HydrophobicContact CG-CE1 4.23Å; F129-F137 HydrophobicContact CE1-CD2 4.15Å; F129-F137 AromaticContact CE1-CE2 3.6Å; F129-F137 HydrophobicContact CE1-CE2 3.6Å; F129-F137 HydrophobicContact CE1-CZ 4.26Å; F129-F137 AromaticContact CZ-CE2 3.55Å; F129-F137 HydrophobicContact CZ-CE2 3.55Å; F129-F137 AromaticContact CZ-CZ 3.82Å; F129-F137 HydrophobicContact CZ-CZ 3.82Å; F137-L140 HydrophobicContact CD2-CD1 4.1Å; F137-L140 HydrophobicContact CG-CD1 4.25Å |
| 138 | D | 59.5 | Low | 71.6 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 69% | 0.69 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.3 | 180 | -66.6 | -33.3 | 0 | 0 | 0 | 112 | K127 S136 L140 | K127-D138 PolarHBondContact NZ-O 3.31Å; S136-D138 PolarHBondContact O-N 3.46Å; D138-L140 VanDerWaalsContact C-N 3.25Å; D138-L140 PolarHBondContact O-N 3.34Å |
| 139 | D | 67.1 | Low | 72 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 57% | 0.572 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.4 | -178.8 | -61.6 | -43.1 | 0 | 0 | 0 | 114.1 | S136 | S136-D139 PolarHBondContact O-N 3.04Å; S136-D139 PolarHBondContact OG-N 3.32Å; S136-D139 PolarHBondContact OG-OD2 3.44Å |
| 140 | L | 74 | Confident | 72.4 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -69 | 141.6 | 179.4 | -75.2 | 164.2 | 0 | 0 | 0 | 111.4 | K127 F129 F137 D138 | K127-L140 HydrophobicContact CB-CB 4.46Å; K127-L140 HydrophobicContact CD-CB 3.84Å; K127-L140 PolarHBondContact NZ-O 2.97Å; F129-L140 HydrophobicContact CD1-CD1 3.73Å; F129-L140 HydrophobicContact CD1-CD2 4.44Å; F129-L140 HydrophobicContact CE1-CD1 3.49Å; F129-L140 VanDerWaalsContact CE1-CD1 3.49Å; F129-L140 HydrophobicContact CZ-CD1 4.41Å; F137-L140 HydrophobicContact CD2-CD1 4.1Å; F137-L140 HydrophobicContact CG-CD1 4.25Å; D138-L140 VanDerWaalsContact C-N 3.25Å; D138-L140 PolarHBondContact O-N 3.34Å |
| 141 | P | 81.5 | Confident | 72.7 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -56.2 | 139.5 | 175 | -11.9 | 18.8 | 0 | 0 | 0 | 111.2 | I20 H21 W105 L128 | I20-P141 HydrophobicContact CG2-CB 4.06Å; H21-P141 VanDerWaalsContact O-CA 3.27Å; H21-P141 WeakPolarHBondContact O-CA 3.45Å; H21-P141 WeakPolarHBondContact O-CB 3.43Å; W105-P141 HydrophobicContact CH2-CB 4.37Å; W105-P141 HydrophobicContact CH2-CG 3.59Å; W105-P141 HydrophobicContact CZ3-CG 4.04Å; L128-P141 HydrophobicContact CB-CB 4.22Å; L128-P141 PolarHBondContact N-O 3.48Å | ||
| 142 | T | 84.1 | Confident | 73.5 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.6 | -179.8 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | I20 H21 L126 K127 | I20-T142 CarbonylContact C-O 3.58Å; I20-T142 WeakPolarHBondContact CA-O 3.36Å; H21-T142 PolarHBondContact N-O 2.89Å; H21-T142 PolarHBondContact O-N 3.21Å; H21-T142 VanDerWaalsContact O-N 3.16Å; L126-T142 CarbonylContact O-C 3.6Å; L126-T142 WeakPolarHBondContact O-CA 3.44Å; K127-T142 HydrophobicContact CD-CG2 3.61Å; K127-T142 HydrophobicContact CG-CG2 4.43Å; K127-T142 VanDerWaalsContact NZ-CG2 3.35Å |
| 143 | V | 87.4 | Confident | 75 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | L17 I20 L85 N125 L126 L128 I145 | L17-V143 HydrophobicContact CD1-CG1 3.15Å; I20-V143 HydrophobicContact CD1-CG2 4.12Å; I20-V143 HydrophobicContact CG1-CG1 4.22Å; I20-V143 HydrophobicContact CG1-CG2 4.03Å; I20-V143 HydrophobicContact CG2-CG2 4.02Å; L85-V143 HydrophobicContact CD2-CG1 3.83Å; L85-V143 HydrophobicContact CD2-CG2 4.35Å; N125-V143 CarbonylContact C-O 3.57Å; N125-V143 WeakPolarHBondContact CA-O 3.33Å; L126-V143 HydrophobicContact CB-CB 4.44Å; L126-V143 PolarHBondContact N-O 3.11Å; L126-V143 PolarHBondContact O-N 3.39Å; L128-V143 HydrophobicContact CB-CG2 3.97Å; L128-V143 HydrophobicContact CD1-CG2 4.36Å; L128-V143 HydrophobicContact CD2-CG2 4.13Å; L128-V143 HydrophobicContact CG-CG2 4.4Å; V143-I145 HydrophobicContact CG1-CD1 4.08Å; V143-I145 HydrophobicContact CG1-CG1 3.76Å |
| 144 | E | 88.9 | Confident | 76.4 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121 | 172.8 | -55.2 | -162.5 | 159.8 | 0 | 0 | 109.9 | Q18 R19 H21 N125 | Q18-E144 PolarHBondContact N-O 3.3Å; R19-E144 HydrophobicContact CG-CB 4.23Å; R19-E144 HydrophobicContact CG-CG 4.09Å; R19-E144 IonicContact CZ-OE1 2.68Å; R19-E144 IonicContact CZ-OE2 3.64Å; R19-E144 IonicContact NE-OE1 3.87Å; R19-E144 IonicContact NE-OE2 2.69Å; R19-E144 PolarHBondContact NE-OE2 3.31Å; R19-E144 IonicContact NH2-OE1 3.75Å; R19-E144 PolarHBondContact NH2-OE1 2.85Å; R19-E144 IonicContact NH2-OE2 3.3Å; R19-E144 PolarHBondContact NH2-OE2 3.03Å; R19-E144 PolarHBondContact O-N 3.33Å; H21-E144 IonicContact CD2-OE1 2.97Å; H21-E144 IonicContact NE2-OE1 2.69Å; H21-E144 PolarHBondContact NE2-OE1 3Å; H21-E144 IonicContact NE2-OE2 2.77Å; N125-E144 WeakPolarHBondContact OD1-CG 3.37Å |
| 145 | I | 89.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.1 | 179.4 | -56 | -179.3 | 0 | 0 | 0 | 109 | I15 H16 L17 L85 F110 E123 M124 L126 V143 V147 | I15-I145 HydrophobicContact CG2-CG2 3.76Å; H16-I145 WeakPolarHBondContact O-CA 3.49Å; L17-I145 HydrophobicContact CD1-CD1 4.37Å; L17-I145 HydrophobicContact CD1-CG1 3.89Å; L85-I145 HydrophobicContact CD2-CD1 4.3Å; F110-I145 HydrophobicContact CD1-CD1 4.17Å; F110-I145 HydrophobicContact CE1-CD1 3.99Å; E123-I145 CarbonylContact C-O 3.47Å; E123-I145 WeakPolarHBondContact CA-O 3.5Å; M124-I145 HydrophobicContact CG-CB 4Å; M124-I145 PolarHBondContact N-O 3.34Å; M124-I145 PolarHBondContact O-N 3.49Å; L126-I145 HydrophobicContact CD1-CD1 3.56Å; L126-I145 HydrophobicContact CG-CD1 4.38Å; V143-I145 HydrophobicContact CG1-CD1 4.08Å; V143-I145 HydrophobicContact CG1-CG1 3.76Å; I145-V147 HydrophobicContact CG2-CG2 3.82Å |
| 146 | L | 91.1 | Very high | 79.3 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.7 | 166.9 | 176.4 | 66.8 | 0 | 0 | 0 | 108.6 | H16 E123 | H16-L146 HydrophobicContact CB-CB 4.28Å; H16-L146 WeakPolarHBondContact CB-O 3.43Å; H16-L146 PolarHBondContact N-O 2.98Å; H16-L146 PolarHBondContact O-N 2.85Å; E123-L146 HydrophobicContact CB-CD1 4.34Å |
| 147 | V | 90.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.1 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | I13 Q14 I15 F110 L115 E121 Y122 I145 | I13-V147 HydrophobicContact CG2-CG1 3.71Å; Q14-V147 WeakPolarHBondContact O-CA 3.36Å; I15-V147 HydrophobicContact CG1-CG1 4.17Å; I15-V147 HydrophobicContact CG1-CG2 4.33Å; I15-V147 HydrophobicContact CG2-CG2 4.37Å; F110-V147 HydrophobicContact CE2-CG2 4.08Å; L115-V147 HydrophobicContact CD1-CG1 3.86Å; L115-V147 HydrophobicContact CD2-CG1 4.28Å; L115-V147 HydrophobicContact CG-CG1 4.41Å; E121-V147 CarbonylContact C-O 3.51Å; E121-V147 WeakPolarHBondContact CA-O 3.42Å; Y122-V147 HydrophobicContact CD1-CB 4.09Å; Y122-V147 HydrophobicContact CE1-CB 3.5Å; Y122-V147 HydrophobicContact CE1-CG1 3.64Å; Y122-V147 HydrophobicContact CE1-CG2 4.18Å; Y122-V147 HydrophobicContact CE2-CB 4.19Å; Y122-V147 HydrophobicContact CE2-CG2 4.07Å; Y122-V147 PolarHBondContact N-O 3.32Å; Y122-V147 PolarHBondContact O-N 3.23Å; I145-V147 HydrophobicContact CG2-CG2 3.82Å |
| 148 | S | 89.2 | Confident | 81.4 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.5 | -179 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | Q14 T120 | Q14-S148 PolarHBondContact N-O 3.04Å; Q14-S148 PolarHBondContact O-N 3.38Å; T120-S148 CarbonylContact O-C 3.51Å; T120-S148 WeakPolarHBondContact O-CA 3.47Å |
| 149 | I | 88.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | -139.5 | 135.8 | 174.6 | -170.8 | 175.8 | 0 | 0 | 0 | 108.5 | R11 I13 L115 T120 Q151 L153 | R11-I149 HydrophobicContact CB-CD1 3.98Å; R11-I149 HydrophobicContact CG-CD1 4.33Å; I13-I149 HydrophobicContact CG1-CD1 4.42Å; L115-I149 HydrophobicContact CD2-CG2 4.01Å; T120-I149 WeakPolarHBondContact O-CG2 3.38Å; T120-I149 PolarHBondContact O-N 3.19Å; I149-Q151 WeakPolarHBondContact CD1-O 3.48Å; I149-Q151 WeakPolarHBondContact CG1-O 3.42Å; I149-Q151 WeakPolarHBondContact CG2-O 3.39Å; I149-Q151 PolarHBondContact O-N 3.48Å; I149-Q151 VanDerWaalsContact O-N 3.11Å; I149-L153 HydrophobicContact CD1-CB 4.27Å; I149-L153 HydrophobicContact CD1-CD1 4.13Å | ||
| 150 | D | 83.8 | Confident | 83.2 | Confident | 132 Ų | 132 | 46.1 Ų | 46.1 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -60.5 | -27.4 | -172.4 | -58.9 | -24.5 | 0 | 0 | 0 | 113.8 | ||
| 151 | Q | 80 | Confident | 83.7 | Confident | 103 Ų | 103 | 49.9 Ų | 49.9 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -145 | 154.6 | 179.5 | -70.3 | -175.6 | -12 | 0 | 0 | 109.6 | I149 L153 | I149-Q151 WeakPolarHBondContact CD1-O 3.48Å; I149-Q151 WeakPolarHBondContact CG1-O 3.42Å; I149-Q151 WeakPolarHBondContact CG2-O 3.39Å; I149-Q151 PolarHBondContact O-N 3.48Å; I149-Q151 VanDerWaalsContact O-N 3.11Å; Q151-L153 PolarHBondContact O-N 3.19Å |
| 152 | P | 79.1 | Confident | 83.9 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -49.4 | 135.5 | 173.6 | -26.3 | 33.7 | 0 | 0 | 0 | 111.5 | T120 L154 | T120-P152 HydrophobicContact CG2-CB 4.44Å; T120-P152 HydrophobicContact CG2-CG 3.75Å; P152-L154 WeakPolarHBondContact CB-O 3.2Å; P152-L154 PolarHBondContact O-N 3.13Å | ||
| 153 | L | 78.5 | Confident | 84.2 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -60.8 | -37 | -177.3 | -179 | 63.1 | 0 | 0 | 0 | 111.4 | R11 L67 T69 V75 L78 V116 I149 Q151 | R11-L153 HydrophobicContact CB-CD1 4.32Å; R11-L153 HydrophobicContact CG-CD1 4.22Å; L67-L153 HydrophobicContact CD2-CD1 3.72Å; L67-L153 HydrophobicContact CD2-CD2 4.17Å; T69-L153 HydrophobicContact CG2-CD1 3.95Å; V75-L153 HydrophobicContact CG1-CD2 4.32Å; L78-L153 HydrophobicContact CD2-CD2 4.03Å; V116-L153 HydrophobicContact CG2-CD2 4.05Å; I149-L153 HydrophobicContact CD1-CB 4.27Å; I149-L153 HydrophobicContact CD1-CD1 4.13Å; Q151-L153 PolarHBondContact O-N 3.19Å |
| 154 | L | 78.9 | Confident | 84.4 | Confident | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -125.4 | 149.9 | 179.8 | -59.2 | 167.9 | 0 | 0 | 0 | 108.5 | V116 N118 P152 V158 L162 | V116-L154 HydrophobicContact CG1-CD1 4.11Å; N118-L154 PolarHBondContact OD1-O 3.04Å; P152-L154 WeakPolarHBondContact CB-O 3.2Å; P152-L154 PolarHBondContact O-N 3.13Å; L154-V158 HydrophobicContact CD2-CG1 4.33Å; L154-L162 HydrophobicContact CD1-CD1 3.61Å; L154-L162 HydrophobicContact CD2-CD1 4.43Å |
| 155 | S | 78.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 25% | 0.251 | S | S | . | . | trans | -72.8 | 152.6 | 169.1 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | E157 V158 Y159 | S155-E157 PolarHBondContact O-N 2.89Å; S155-V158 PolarHBondContact O-N 3.47Å; S155-V158 WeakPolarHBondContact OG-CG2 3.49Å; S155-Y159 PolarHBondContact O-N 3.49Å | ||
| 156 | D | 79.6 | Confident | 84.5 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.9 | -38.8 | 179 | -64 | -35.4 | 0 | 0 | 0 | 112.1 | N118 V158 Y159 E160 | N118-D156 PolarHBondContact ND2-OD1 3.34Å; D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.09Å; D156-Y159 PolarHBondContact O-N 3.04Å; D156-E160 WeakPolarHBondContact O-CB 3.23Å; D156-E160 WeakPolarHBondContact O-CG 3.38Å; D156-E160 PolarHBondContact O-N 3.22Å |
| 157 | E | 79.1 | Confident | 84.5 | Confident | 150 Ų | 150 | 46.5 Ų | 46.5 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.3 | -36.8 | 176.1 | -64.3 | -179 | 179.1 | 0 | 0 | 113.3 | S155 Q161 | S155-E157 PolarHBondContact O-N 2.89Å; E157-Q161 WeakPolarHBondContact O-CG 3.48Å; E157-Q161 PolarHBondContact O-NE2 2.89Å |
| 158 | V | 79.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.5 | -44.2 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | I5 L154 S155 D156 E160 Q161 L162 | I5-V158 HydrophobicContact CG1-CG1 4.41Å; L154-V158 HydrophobicContact CD2-CG1 4.33Å; S155-V158 PolarHBondContact O-N 3.47Å; S155-V158 WeakPolarHBondContact OG-CG2 3.49Å; D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.09Å; V158-E160 VanDerWaalsContact C-N 3.28Å; V158-E160 PolarHBondContact O-N 2.7Å; V158-Q161 PolarHBondContact O-N 3.44Å; V158-L162 HydrophobicContact CG1-CD1 3.85Å; V158-L162 HydrophobicContact CG1-CG 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.43Å; V158-L162 VanDerWaalsContact O-N 3.1Å |
| 159 | Y | 81.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -37.9 | 175.9 | -179.9 | -105.1 | 0 | 0 | 0 | 112.3 | V116 K117 N118 S155 D156 Q161 L162 K475 | V116-Y159 WeakPolarHBondContact O-CD2 3.3Å; V116-Y159 VanDerWaalsContact O-CE2 3.24Å; V116-Y159 WeakPolarHBondContact O-CE2 3.36Å; K117-Y159 HydrophobicContact CB-CE2 4.48Å; N118-Y159 VanDerWaalsContact ND2-CB 3.34Å; N118-Y159 WeakPolarHBondContact ND2-CB 3.25Å; S155-Y159 PolarHBondContact O-N 3.49Å; D156-Y159 PolarHBondContact O-N 3.04Å; Y159-Q161 PolarHBondContact O-N 3.43Å; Y159-L162 PolarHBondContact O-N 2.98Å; Y159-L162 VanDerWaalsContact O-N 3.16Å; Y159-K475 PolarHBondContact O-NZ 3.24Å |
| 160 | E | 83.8 | Confident | 84.6 | Confident | 109 Ų | 109 | 45.9 Ų | 45.9 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -24 | 174.1 | -81.9 | -52.3 | 126.6 | 0 | 0 | 114.1 | D156 V158 K475 | D156-E160 WeakPolarHBondContact O-CB 3.23Å; D156-E160 WeakPolarHBondContact O-CG 3.38Å; D156-E160 PolarHBondContact O-N 3.22Å; V158-E160 VanDerWaalsContact C-N 3.28Å; V158-E160 PolarHBondContact O-N 2.7Å; E160-K475 IonicContact OE1-NZ 3.63Å; E160-K475 PolarHBondContact OE1-NZ 2.91Å; E160-K475 IonicContact OE2-NZ 2.91Å; E160-K475 PolarHBondContact OE2-NZ 3.39Å |
| 161 | Q | 83.8 | Confident | 84.9 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -92.2 | -13.5 | 176.5 | -65.3 | 176 | 38.6 | 0 | 0 | 113.5 | E157 V158 Y159 Q292 | E157-Q161 WeakPolarHBondContact O-CG 3.48Å; E157-Q161 PolarHBondContact O-NE2 2.89Å; V158-Q161 PolarHBondContact O-N 3.44Å; Y159-Q161 PolarHBondContact O-N 3.43Å; Q161-Q292 PolarHBondContact O-NE2 2.87Å |
| 162 | L | 86.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | trans | -90.4 | 154.2 | 178.4 | -69.8 | 171.1 | 0 | 0 | 0 | 111 | F72 L154 V158 Y159 L286 D288 | F72-L162 HydrophobicContact CE2-CD2 3.97Å; L154-L162 HydrophobicContact CD1-CD1 3.61Å; L154-L162 HydrophobicContact CD2-CD1 4.43Å; V158-L162 HydrophobicContact CG1-CD1 3.85Å; V158-L162 HydrophobicContact CG1-CG 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.43Å; V158-L162 VanDerWaalsContact O-N 3.1Å; Y159-L162 PolarHBondContact O-N 2.98Å; Y159-L162 VanDerWaalsContact O-N 3.16Å; L162-L286 HydrophobicContact CB-CD1 4.27Å; L162-L286 HydrophobicContact CD1-CD1 4.45Å; L162-L286 HydrophobicContact CD1-CD2 4.42Å; L162-L286 HydrophobicContact CD2-CD1 4.45Å; L162-L286 HydrophobicContact CD2-CD2 4.39Å; L162-L286 HydrophobicContact CD2-CG 4.3Å; L162-D288 HydrophobicContact CD2-CB 4.41Å | ||
| 163 | N | 90.3 | Very high | 86 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.3 | 173.3 | -161.6 | -3.6 | 0 | 0 | 0 | 109.4 | L287 Q292 E474 K475 | N163-L287 PolarHBondContact N-O 3.32Å; N163-L287 VanDerWaalsContact N-O 3.09Å; N163-L287 PolarHBondContact O-N 3.31Å; N163-Q292 VanDerWaalsContact CB-CD 3.46Å; N163-Q292 HydrophobicContact CB-CG 4.2Å; N163-E474 PolarHBondContact OD1-N 3.4Å; N163-K475 PolarHBondContact ND2-O 2.99Å; N163-K475 PolarHBondContact OD1-N 2.87Å; N163-K475 PolarHBondContact OD1-O 3.25Å |
| 164 | I | 90.4 | Very high | 86.4 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.6 | 178.4 | -56.2 | 176.5 | 0 | 0 | 0 | 107.2 | L113 V116 Y166 R285 L286 L473 E474 | L113-I164 HydrophobicContact CD1-CD1 3.54Å; V116-I164 HydrophobicContact CG1-CD1 4.43Å; I164-Y166 HydrophobicContact CB-CE2 4.19Å; I164-Y166 HydrophobicContact CG2-CD2 4.46Å; I164-Y166 HydrophobicContact CG2-CE1 4.13Å; I164-Y166 HydrophobicContact CG2-CE2 3.92Å; I164-R285 WeakPolarHBondContact CA-O 3.22Å; I164-L286 HydrophobicContact CG1-CD1 3.88Å; I164-L473 CarbonylContact O-C 3.55Å; I164-L473 WeakPolarHBondContact O-CA 3.43Å; I164-E474 HydrophobicContact CB-CB 4.17Å; I164-E474 PolarHBondContact O-N 3.37Å |
| 165 | I | 90.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.7 | 172.1 | -169.3 | 171.9 | 0 | 0 | 0 | 110 | V167 L193 R284 R285 L287 L295 R472 L473 | I165-V167 HydrophobicContact CD1-CG2 4.34Å; I165-V167 HydrophobicContact CG1-CG2 4.17Å; I165-L193 HydrophobicContact CD1-CD1 4.18Å; I165-L193 HydrophobicContact CG2-CD2 3.73Å; I165-R284 WeakPolarHBondContact O-CA 3.45Å; I165-R285 HydrophobicContact CG2-CB 3.78Å; I165-R285 PolarHBondContact N-O 2.93Å; I165-R285 PolarHBondContact O-N 3.49Å; I165-L287 HydrophobicContact CB-CD1 3.82Å; I165-L287 HydrophobicContact CB-CG 4.31Å; I165-L287 HydrophobicContact CG2-CD1 3.82Å; I165-L287 HydrophobicContact CG2-CD2 4.08Å; I165-L287 HydrophobicContact CG2-CG 3.87Å; I165-L295 HydrophobicContact CD1-CD2 4.4Å; I165-R472 CarbonylContact C-O 3.37Å; I165-R472 WeakPolarHBondContact CA-O 3.46Å; I165-L473 HydrophobicContact CB-CD2 3.7Å; I165-L473 HydrophobicContact CD1-CD2 4.2Å; I165-L473 HydrophobicContact CG1-CD2 3.84Å |
| 166 | Y | 90.8 | Very high | 87.1 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124 | 174.7 | -53.7 | -93.7 | 0 | 0 | 0 | 107.4 | L113 I164 H283 R284 F471 R472 E474 | L113-Y166 HydrophobicContact CD2-CE1 4.49Å; I164-Y166 HydrophobicContact CB-CE2 4.19Å; I164-Y166 HydrophobicContact CG2-CD2 4.46Å; I164-Y166 HydrophobicContact CG2-CE1 4.13Å; I164-Y166 HydrophobicContact CG2-CE2 3.92Å; Y166-H283 CarbonylContact C-O 3.54Å; Y166-H283 VanDerWaalsContact CA-O 3.3Å; Y166-H283 WeakPolarHBondContact CA-O 3.42Å; Y166-R284 HydrophobicContact CD1-CG 3.76Å; Y166-R284 HydrophobicContact CE1-CG 4.01Å; Y166-F471 CarbonylContact O-C 3.57Å; Y166-F471 WeakPolarHBondContact O-CA 3.24Å; Y166-R472 HydrophobicContact CD2-CB 4.35Å; Y166-R472 HydrophobicContact CD2-CG 4.1Å; Y166-R472 PolarHBondContact N-O 3.05Å; Y166-R472 PolarHBondContact O-N 2.9Å; Y166-E474 HydrophobicContact CE2-CB 4.29Å; Y166-E474 WeakPolarHBondContact CE2-OE2 3.49Å; Y166-E474 PolarHBondContact OH-OE2 3.37Å |
| 167 | V | 91.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.5 | 175.8 | -175 | 0 | 0 | 0 | 0 | 107.6 | I165 I169 L191 I204 H283 F471 | I165-V167 HydrophobicContact CD1-CG2 4.34Å; I165-V167 HydrophobicContact CG1-CG2 4.17Å; V167-I169 HydrophobicContact CG1-CG1 4.45Å; V167-L191 HydrophobicContact CG1-CD1 4.47Å; V167-L191 HydrophobicContact CG1-CD2 3.75Å; V167-I204 HydrophobicContact CB-CD1 4.43Å; V167-I204 HydrophobicContact CG2-CD1 4.07Å; V167-H283 HydrophobicContact CB-CB 4.27Å; V167-H283 PolarHBondContact N-O 3.26Å; V167-H283 PolarHBondContact O-N 3.45Å; V167-F471 HydrophobicContact CB-CD1 4.47Å; V167-F471 HydrophobicContact CB-CE1 4.46Å; V167-F471 HydrophobicContact CG1-CD1 4.06Å; V167-F471 HydrophobicContact CG1-CE1 3.67Å; V167-F471 HydrophobicContact CG1-CZ 4.07Å; V167-F471 HydrophobicContact CG2-CD1 3.85Å; V167-F471 HydrophobicContact CG2-CE1 4Å |
| 168 | N | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.6 | -179.7 | -55.4 | -26.4 | 0 | 0 | 0 | 108.8 | Y224 Q281 Q282 E470 | N168-Y224 HydrophobicContact CB-CE1 3.79Å; N168-Q281 WeakPolarHBondContact CA-O 3.37Å; N168-Q282 VanDerWaalsContact OD1-CB 3.23Å; N168-Q282 WeakPolarHBondContact OD1-CB 3.3Å; N168-Q282 WeakPolarHBondContact OD1-CG 3.46Å; N168-Q282 PolarHBondContact OD1-NE2 3.19Å; N168-E470 HydrophobicContact CB-CB 4.1Å; N168-E470 PolarHBondContact N-O 3.42Å; N168-E470 VanDerWaalsContact ND2-CD 3.28Å; N168-E470 PolarHBondContact ND2-OE2 2.88Å; N168-E470 PolarHBondContact O-N 3.4Å; N168-E470 VanDerWaalsContact O-N 3.1Å |
| 169 | I | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 102.5 | 173.5 | -58 | -171.4 | 0 | 0 | 0 | 106.6 | V167 A189 L191 S206 W279 N280 Q281 M467 L469 | V167-I169 HydrophobicContact CG1-CG1 4.45Å; I169-A189 HydrophobicContact CD1-CB 4.25Å; I169-A189 HydrophobicContact CG2-CB 4.16Å; I169-L191 HydrophobicContact CD1-CD2 3.91Å; I169-S206 WeakPolarHBondContact CD1-OG 3.23Å; I169-W279 HydrophobicContact CG2-CB 4.46Å; I169-W279 HydrophobicContact CG2-CD2 4.2Å; I169-W279 HydrophobicContact CG2-CE3 4.05Å; I169-W279 HydrophobicContact CG2-CG 4.42Å; I169-N280 WeakPolarHBondContact O-CA 3.31Å; I169-N280 PolarHBondContact O-N 3.29Å; I169-Q281 PolarHBondContact N-O 2.69Å; I169-Q281 PolarHBondContact O-N 2.91Å; I169-M467 HydrophobicContact CG2-CE 3.91Å; I169-L469 HydrophobicContact CB-CD2 4.29Å; I169-L469 HydrophobicContact CG1-CD2 3.91Å; I169-L469 HydrophobicContact CG2-CD2 4.19Å |
| 170 | E | 88.9 | Confident | 86.8 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -74.3 | -173.6 | -65.5 | -179.4 | -152.2 | 0 | 0 | 110.5 | Y224 W279 N280 R350 M468 | E170-Y224 HydrophobicContact CG-CE1 4.11Å; E170-W279 PolarHBondContact O-N 3.03Å; E170-N280 PolarHBondContact O-N 3.4Å; E170-N280 PolarHBondContact O-OD1 3.18Å; E170-R350 IonicContact OE1-CZ 3.63Å; E170-R350 IonicContact OE1-NE 3.67Å; E170-R350 PolarHBondContact OE1-NE 3.31Å; E170-R350 IonicContact OE1-NH2 2.67Å; E170-R350 PolarHBondContact OE1-NH2 3.33Å; E170-R350 IonicContact OE2-NH2 3.58Å; E170-R350 PolarHBondContact OE2-NH2 3.41Å; E170-M468 HydrophobicContact CB-CB 3.73Å; E170-M468 HydrophobicContact CG-CB 4.37Å; E170-M468 PolarHBondContact N-O 3.39Å |
| 171 | S | 90.1 | Very high | 86.1 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.4 | -171.4 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | V277 M467 M468 | S171-V277 CarbonylContact C-O 3.6Å; S171-V277 WeakPolarHBondContact CA-O 3.39Å; S171-V277 WeakPolarHBondContact CB-O 3.23Å; S171-M467 CarbonylContact O-C 3.57Å; S171-M467 WeakPolarHBondContact O-CA 3.22Å; S171-M468 PolarHBondContact O-N 3.2Å |
| 172 | I | 91.5 | Very high | 85 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.9 | 159.1 | -63.5 | 166.1 | 0 | 0 | 0 | 108 | V175 K276 V277 W279 V309 I355 F466 M467 | I172-V175 HydrophobicContact CB-CG1 4.43Å; I172-V175 HydrophobicContact CG2-CG1 3.98Å; I172-V175 WeakPolarHBondContact O-CG1 3.45Å; I172-K276 WeakPolarHBondContact O-CA 3.25Å; I172-K276 WeakPolarHBondContact O-CB 3.43Å; I172-V277 HydrophobicContact CB-CB 4.28Å; I172-V277 PolarHBondContact N-O 3.31Å; I172-V277 PolarHBondContact O-N 3.31Å; I172-W279 HydrophobicContact CD1-CH2 3.63Å; I172-W279 HydrophobicContact CD1-CZ3 3.93Å; I172-W279 HydrophobicContact CG1-CH2 4.08Å; I172-W279 HydrophobicContact CG1-CZ3 3.83Å; I172-V309 HydrophobicContact CD1-CB 4.22Å; I172-V309 HydrophobicContact CD1-CG1 4.04Å; I172-V309 HydrophobicContact CD1-CG2 4.5Å; I172-I355 HydrophobicContact CB-CD1 4.36Å; I172-I355 HydrophobicContact CD1-CD1 3.96Å; I172-I355 HydrophobicContact CG1-CD1 3.83Å; I172-I355 HydrophobicContact CG2-CD1 3.62Å; I172-F466 WeakPolarHBondContact CA-O 3.43Å; I172-M467 HydrophobicContact CD1-CE 4.09Å; I172-M467 HydrophobicContact CG1-CB 4.31Å; I172-M467 HydrophobicContact CG1-CE 3.83Å; I172-M467 HydrophobicContact CG1-CG 4.04Å |
| 173 | Q | 90.3 | Very high | 83.9 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 162 | 177.7 | -54.6 | -168.5 | -0.4 | 0 | 0 | 110.3 | A270 N271 S465 F466 | Q173-A270 HydrophobicContact CB-CB 4.12Å; Q173-N271 PolarHBondContact NE2-OD1 3.42Å; Q173-N271 PolarHBondContact OE1-OD1 3.29Å; Q173-S465 WeakPolarHBondContact O-CA 3.34Å; Q173-F466 HydrophobicContact CB-CD2 4.13Å; Q173-F466 HydrophobicContact CB-CE1 3.97Å; Q173-F466 HydrophobicContact CB-CE2 3.5Å; Q173-F466 VanDerWaalsContact CB-CE2 3.5Å; Q173-F466 HydrophobicContact CB-CZ 3.45Å; Q173-F466 VanDerWaalsContact CB-CZ 3.45Å; Q173-F466 HydrophobicContact CG-CD2 4.49Å; Q173-F466 HydrophobicContact CG-CE2 3.75Å; Q173-F466 HydrophobicContact CG-CZ 4.08Å; Q173-F466 PolarHBondContact N-O 3.29Å; Q173-F466 PolarHBondContact O-N 3.19Å |
| 174 | N | 87.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 51.7 | 53.6 | -172 | -81.6 | -13.1 | 0 | 0 | 0 | 112 | A270 K274 A463 Q464 S465 F466 | N174-A270 WeakPolarHBondContact OD1-CB 3.38Å; N174-K274 WeakPolarHBondContact OD1-CD 3.38Å; N174-K274 PolarHBondContact OD1-NZ 3.3Å; N174-K274 VanDerWaalsContact OD1-NZ 3.12Å; N174-A463 WeakPolarHBondContact CB-O 3.1Å; N174-A463 WeakPolarHBondContact O-CB 3.39Å; N174-Q464 PolarHBondContact ND2-O 3.04Å; N174-S465 WeakPolarHBondContact O-CA 3.46Å; N174-S465 WeakPolarHBondContact O-CB 3.27Å; N174-S465 PolarHBondContact O-OG 2.65Å; N174-F466 HydrophobicContact CB-CE1 4.47Å |
| 175 | V | 86.2 | Confident | 82.2 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | trans | -68.9 | 151.9 | -176 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | I172 F179 L211 N275 V277 | I172-V175 HydrophobicContact CB-CG1 4.43Å; I172-V175 HydrophobicContact CG2-CG1 3.98Å; I172-V175 WeakPolarHBondContact O-CG1 3.45Å; V175-F179 HydrophobicContact CB-CD2 3.95Å; V175-L211 HydrophobicContact CG2-CD1 3.98Å; V175-N275 WeakPolarHBondContact CG2-O 3.29Å; V175-V277 HydrophobicContact CG1-CB 4.43Å; V175-V277 HydrophobicContact CG1-CG2 3.91Å | ||
| 176 | P | 85.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -55.3 | 145.8 | 173 | -28.7 | 37 | 0 | 0 | 0 | 113.6 | T178 F179 Q459 Y460 | P176-T178 PolarHBondContact O-N 3.13Å; P176-F179 HydrophobicContact CG-CE2 4.29Å; P176-F179 HydrophobicContact CG-CZ 4.21Å; P176-F179 WeakPolarHBondContact O-CB 3.42Å; P176-F179 PolarHBondContact O-N 3.24Å; P176-F179 VanDerWaalsContact O-N 3.12Å; P176-Q459 HydrophobicContact CB-CB 3.92Å; P176-Q459 HydrophobicContact CG-CB 4.03Å; P176-Y460 HydrophobicContact CG-CD1 3.67Å; P176-Y460 HydrophobicContact CG-CE1 3.89Å; P176-Y460 HydrophobicContact CG-CG 4.33Å | ||
| 177 | E | 79.9 | Confident | 81.8 | Confident | 169 Ų | 169 | 46.6 Ų | 46.6 | 79% | 0.79 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -63.1 | -27.4 | -179.2 | -64.3 | -171.4 | 168.3 | 0 | 0 | 113.1 | F179 H180 | E177-F179 PolarHBondContact O-N 3.44Å; E177-H180 WeakPolarHBondContact O-CB 3.4Å; E177-H180 PolarHBondContact O-N 2.93Å |
| 178 | T | 79.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -58.6 | -26 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | P176 H180 T181 H330 Q459 | P176-T178 PolarHBondContact O-N 3.13Å; T178-H180 PolarHBondContact O-N 3.12Å; T178-T181 WeakPolarHBondContact O-CB 3.28Å; T178-T181 VanDerWaalsContact O-CG2 3.26Å; T178-T181 WeakPolarHBondContact O-CG2 3.21Å; T178-T181 PolarHBondContact O-N 2.63Å; T178-T181 PolarHBondContact O-OG1 2.96Å; T178-H330 PolarHBondContact OG1-NE2 3.01Å; T178-Q459 PolarHBondContact OG1-OE1 3.45Å |
| 179 | F | 80.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -74 | -14.7 | 178.1 | -65.4 | 0.1 | 0 | 0 | 0 | 112.4 | V175 P176 E177 T181 F187 L211 V277 C311 H330 Y460 | V175-F179 HydrophobicContact CB-CD2 3.95Å; P176-F179 HydrophobicContact CG-CE2 4.29Å; P176-F179 HydrophobicContact CG-CZ 4.21Å; P176-F179 WeakPolarHBondContact O-CB 3.42Å; P176-F179 PolarHBondContact O-N 3.24Å; P176-F179 VanDerWaalsContact O-N 3.12Å; E177-F179 PolarHBondContact O-N 3.44Å; F179-T181 PolarHBondContact O-N 2.84Å; F179-F187 HydrophobicContact CB-CZ 4.21Å; F179-F187 HydrophobicContact CD1-CE1 4.18Å; F179-F187 HydrophobicContact CD1-CZ 4.46Å; F179-F187 HydrophobicContact CD2-CD1 4.42Å; F179-F187 AromaticContact CD2-CE1 3.38Å; F179-F187 HydrophobicContact CD2-CE1 3.38Å; F179-F187 AromaticContact CD2-CZ 3.7Å; F179-F187 HydrophobicContact CD2-CZ 3.7Å; F179-F187 HydrophobicContact CE1-CE1 4.16Å; F179-F187 HydrophobicContact CE2-CD1 4.1Å; F179-F187 AromaticContact CE2-CE1 3.36Å; F179-F187 HydrophobicContact CE2-CE1 3.36Å; F179-F187 HydrophobicContact CE2-CZ 4.17Å; F179-F187 AromaticContact CG-CE1 3.83Å; F179-F187 HydrophobicContact CG-CE1 3.83Å; F179-F187 AromaticContact CG-CZ 3.88Å; F179-F187 HydrophobicContact CG-CZ 3.88Å; F179-F187 AromaticContact CZ-CE1 3.79Å; F179-F187 HydrophobicContact CZ-CE1 3.79Å; F179-L211 VanDerWaalsContact O-CD2 3.31Å; F179-L211 WeakPolarHBondContact O-CD2 3.29Å; F179-V277 HydrophobicContact CD2-CG2 4.3Å; F179-C311 VanDerWaalsContact CZ-SG 3.53Å; F179-H330 HydrophobicContact CE1-CB 4.15Å; F179-H330 AromaticContact CE1-CD2 3.58Å; F179-H330 AromaticContact CE1-CE1 3.98Å; F179-H330 AromaticContact CE1-CG 3.61Å; F179-H330 AromaticContact CE1-ND1 3.85Å; F179-H330 AromaticContact CE1-NE2 3.82Å; F179-H330 HydrophobicContact CZ-CB 4.08Å; F179-Y460 AromaticContact CE2-CE1 3.94Å; F179-Y460 HydrophobicContact CE2-CE1 3.94Å; F179-Y460 AromaticContact CZ-CE1 3.97Å; F179-Y460 HydrophobicContact CZ-CE1 3.97Å; F179-Y460 AromaticContact CZ-CZ 3.87Å; F179-Y460 WeakPolarHBondContact CZ-OH 3.32Å |
| 180 | H | 73.1 | Confident | 81.7 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -81.5 | 0.9 | 176.1 | -54.3 | -30.1 | 0 | 0 | 0 | 113.3 | E177 T178 N275 | E177-H180 WeakPolarHBondContact O-CB 3.4Å; E177-H180 PolarHBondContact O-N 2.93Å; T178-H180 PolarHBondContact O-N 3.12Å; H180-N275 PolarHBondContact CE1-ND2 3.47Å; H180-N275 PolarHBondContact ND1-ND2 2.84Å; H180-N275 VanDerWaalsContact ND1-ND2 3.18Å |
| 181 | T | 69.1 | Low | 81.8 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.8 | 162.8 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | T178 F179 D183 | T178-T181 WeakPolarHBondContact O-CB 3.28Å; T178-T181 VanDerWaalsContact O-CG2 3.26Å; T178-T181 WeakPolarHBondContact O-CG2 3.21Å; T178-T181 PolarHBondContact O-N 2.63Å; T178-T181 PolarHBondContact O-OG1 2.96Å; F179-T181 PolarHBondContact O-N 2.84Å; T181-D183 PolarHBondContact O-N 3.27Å |
| 182 | K | 60.4 | Low | 81.7 | Confident | 201 Ų | 201 | 45.3 Ų | 45.3 | 87% | 0.874 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -71.3 | 5.9 | -180 | -69.6 | -174.3 | 177.8 | 179.8 | 0 | 114 | H184 | K182-H184 PolarHBondContact O-ND1 3.3Š|
| 183 | D | 63.1 | Low | 81.2 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | trans | -74.6 | 137.7 | -178.8 | -67.5 | -29 | 0 | 0 | 0 | 110.5 | T181 Y185 | T181-D183 PolarHBondContact O-N 3.27Å; D183-Y185 HydrophobicContact CB-CD2 4.01Å; D183-Y185 HydrophobicContact CB-CE2 3.45Å; D183-Y185 VanDerWaalsContact CB-CE2 3.45Å; D183-Y185 PolarHBondContact O-N 3.41Å; D183-Y185 VanDerWaalsContact O-N 3.13Å; D183-Y185 PolarHBondContact OD2-OH 2.87Å | ||
| 184 | H | 68.9 | Low | 80.4 | Confident | 163 Ų | 163 | 46 Ų | 46 | 76% | 0.755 | 22% | 0.224 | S | C | * | . | trans | -86.1 | 87.8 | 178.5 | -67.7 | 69.5 | 0 | 0 | 0 | 108.8 | K182 G314 | K182-H184 PolarHBondContact O-ND1 3.3Å; H184-G314 PolarHBondContact O-N 3.24Å | ||
| 185 | Y | 77.6 | Confident | 79.2 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.1 | 172.3 | -67.5 | -74.1 | 0 | 0 | 0 | 111.2 | D183 F187 C311 Q313 | D183-Y185 HydrophobicContact CB-CD2 4.01Å; D183-Y185 HydrophobicContact CB-CE2 3.45Å; D183-Y185 VanDerWaalsContact CB-CE2 3.45Å; D183-Y185 PolarHBondContact O-N 3.41Å; D183-Y185 VanDerWaalsContact O-N 3.13Å; D183-Y185 PolarHBondContact OD2-OH 2.87Å; Y185-F187 HydrophobicContact CG-CZ 4.32Å; Y185-C311 HydrophobicContact CD1-CB 3.75Å; Y185-C311 HydrophobicContact CE1-CB 4.42Å; Y185-C311 HydrophobicContact CG-CB 4.46Å; Y185-Q313 HydrophobicContact CD1-CG 3.96Å; Y185-Q313 HydrophobicContact CE1-CG 3.54Å; Y185-Q313 PolarHBondContact OH-NE2 3Å |
| 186 | N | 83.4 | Confident | 78.1 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.2 | 163.4 | -179.4 | 14.7 | 0 | 0 | 0 | 108.6 | K208 I312 | N186-K208 VanDerWaalsContact OD1-CA 3.24Å; N186-K208 WeakPolarHBondContact OD1-CA 3.39Å; N186-K208 PolarHBondContact OD1-N 3.26Å; N186-I312 HydrophobicContact CB-CB 4.45Å; N186-I312 PolarHBondContact N-O 3.32Å; N186-I312 PolarHBondContact O-N 3.46Å |
| 187 | F | 88.2 | Confident | 76.7 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.6 | -179.6 | -58.4 | -80.6 | 0 | 0 | 0 | 110.5 | F179 Y185 G209 L211 V277 W279 C311 | F179-F187 HydrophobicContact CB-CZ 4.21Å; F179-F187 HydrophobicContact CD1-CE1 4.18Å; F179-F187 HydrophobicContact CD1-CZ 4.46Å; F179-F187 HydrophobicContact CD2-CD1 4.42Å; F179-F187 AromaticContact CD2-CE1 3.38Å; F179-F187 HydrophobicContact CD2-CE1 3.38Å; F179-F187 AromaticContact CD2-CZ 3.7Å; F179-F187 HydrophobicContact CD2-CZ 3.7Å; F179-F187 HydrophobicContact CE1-CE1 4.16Å; F179-F187 HydrophobicContact CE2-CD1 4.1Å; F179-F187 AromaticContact CE2-CE1 3.36Å; F179-F187 HydrophobicContact CE2-CE1 3.36Å; F179-F187 HydrophobicContact CE2-CZ 4.17Å; F179-F187 AromaticContact CG-CE1 3.83Å; F179-F187 HydrophobicContact CG-CE1 3.83Å; F179-F187 AromaticContact CG-CZ 3.88Å; F179-F187 HydrophobicContact CG-CZ 3.88Å; F179-F187 AromaticContact CZ-CE1 3.79Å; F179-F187 HydrophobicContact CZ-CE1 3.79Å; Y185-F187 HydrophobicContact CG-CZ 4.32Å; F187-G209 WeakPolarHBondContact CD2-O 3.28Å; F187-G209 PolarHBondContact N-O 2.99Å; F187-G209 PolarHBondContact O-N 2.98Å; F187-L211 HydrophobicContact CE2-CB 4.4Å; F187-V277 HydrophobicContact CB-CG1 3.61Å; F187-V277 HydrophobicContact CD1-CG1 4.25Å; F187-V277 HydrophobicContact CD1-CG2 3.97Å; F187-V277 HydrophobicContact CD2-CB 4.46Å; F187-V277 HydrophobicContact CD2-CG1 3.72Å; F187-V277 HydrophobicContact CD2-CG2 3.84Å; F187-V277 HydrophobicContact CE1-CG2 3.93Å; F187-V277 HydrophobicContact CE2-CG1 4.48Å; F187-V277 HydrophobicContact CE2-CG2 3.79Å; F187-V277 HydrophobicContact CG-CB 4.45Å; F187-V277 HydrophobicContact CG-CG1 3.59Å; F187-V277 HydrophobicContact CG-CG2 3.93Å; F187-V277 HydrophobicContact CZ-CG2 3.84Å; F187-W279 HydrophobicContact CB-CH2 4.16Å; F187-W279 HydrophobicContact CB-CZ2 3.66Å; F187-W279 PolarHBondContact O-NE1 3.48Å; F187-C311 HydrophobicContact CD1-CB 4.45Å; F187-C311 WeakPolarHBondContact CD1-SG 3.34Å; F187-C311 WeakPolarHBondContact CE1-SG 3.45Å |
| 188 | V | 89.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.6 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | I205 S206 V309 F310 I312 V377 | V188-I205 HydrophobicContact CG1-CG2 4.05Å; V188-S206 WeakPolarHBondContact CA-O 3.24Å; V188-V309 WeakPolarHBondContact O-CA 3.48Å; V188-F310 HydrophobicContact CB-CD2 4.29Å; V188-F310 HydrophobicContact CB-CE1 4.21Å; V188-F310 HydrophobicContact CB-CE2 3.89Å; V188-F310 HydrophobicContact CB-CZ 3.85Å; V188-F310 HydrophobicContact CG1-CE1 3.98Å; V188-F310 HydrophobicContact CG1-CE2 4.17Å; V188-F310 HydrophobicContact CG1-CZ 3.64Å; V188-F310 HydrophobicContact CG2-CE2 4.22Å; V188-F310 PolarHBondContact N-O 2.87Å; V188-F310 PolarHBondContact O-N 3.35Å; V188-I312 HydrophobicContact CG2-CD1 3.85Å; V188-I312 HydrophobicContact CG2-CG1 4.26Å; V188-V377 HydrophobicContact CG1-CG1 3.89Å |
| 189 | A | 90.8 | Very high | 74.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I169 S206 W279 E308 V309 M467 | I169-A189 HydrophobicContact CD1-CB 4.25Å; I169-A189 HydrophobicContact CG2-CB 4.16Å; A189-S206 PolarHBondContact N-O 2.81Å; A189-S206 PolarHBondContact O-N 3.49Å; A189-W279 HydrophobicContact CB-CH2 4.31Å; A189-W279 HydrophobicContact CB-CZ2 3.99Å; A189-E308 CarbonylContact C-O 3.59Å; A189-E308 VanDerWaalsContact CA-O 3.32Å; A189-E308 WeakPolarHBondContact CA-O 3.3Å; A189-V309 HydrophobicContact CB-CG1 4.17Å; A189-M467 HydrophobicContact CB-CE 3.64Å |
| 190 | A | 90.9 | Very high | 73.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I204 I205 V307 E308 V377 | A190-I204 CarbonylContact C-O 3.52Å; A190-I204 WeakPolarHBondContact CA-O 3.15Å; A190-I205 HydrophobicContact CB-CG1 4.45Å; A190-V307 CarbonylContact O-C 3.55Å; A190-E308 PolarHBondContact N-O 3.26Å; A190-E308 PolarHBondContact O-N 3.26Å; A190-V377 HydrophobicContact CB-CG1 4.41Å; A190-V377 HydrophobicContact CB-CG2 3.56Å |
| 191 | L | 91.7 | Very high | 72.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.3 | 177.5 | 63.3 | 99.3 | 0 | 0 | 0 | 111.7 | V167 I169 A203 I204 L305 V307 F471 | V167-L191 HydrophobicContact CG1-CD1 4.47Å; V167-L191 HydrophobicContact CG1-CD2 3.75Å; I169-L191 HydrophobicContact CD1-CD2 3.91Å; L191-A203 WeakPolarHBondContact O-CA 3.33Å; L191-I204 HydrophobicContact CD1-CB 4.07Å; L191-I204 HydrophobicContact CD1-CD1 4.06Å; L191-I204 HydrophobicContact CD1-CG1 4.45Å; L191-I204 HydrophobicContact CG-CB 4.02Å; L191-I204 HydrophobicContact CG-CG2 4.33Å; L191-I204 PolarHBondContact N-O 3.27Å; L191-I204 PolarHBondContact O-N 2.94Å; L191-L305 HydrophobicContact CD1-CD2 4.22Å; L191-V307 HydrophobicContact CB-CB 4.47Å; L191-V307 HydrophobicContact CB-CG1 4.46Å; L191-V307 HydrophobicContact CB-CG2 3.97Å; L191-V307 HydrophobicContact CD2-CG1 4.34Å; L191-V307 HydrophobicContact CD2-CG2 4.06Å; L191-F471 HydrophobicContact CD1-CE1 4.38Å; L191-F471 HydrophobicContact CD2-CZ 4.3Å |
| 192 | P | 87.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.7 | 178.6 | 29 | -28.6 | 0 | 0 | 0 | 111.2 | L305 P306 R369 L373 | P192-L305 HydrophobicContact CG-CD1 4.02Å; P192-P306 WeakPolarHBondContact CD-O 3.26Å; P192-P306 HydrophobicContact CG-CG 4.31Å; P192-R369 VanDerWaalsContact CB-NH1 3.29Å; P192-L373 HydrophobicContact CB-CD1 4.24Å; P192-L373 HydrophobicContact CB-CD2 3.97Å; P192-L373 HydrophobicContact CG-CD1 3.99Å; P192-L373 HydrophobicContact CG-CD2 4.48Å |
| 193 | L | 81.6 | Confident | 73.9 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.2 | 169.3 | -172.8 | 68.9 | 0 | 0 | 0 | 111.4 | I165 T195 N202 I204 R285 L295 | I165-L193 HydrophobicContact CD1-CD1 4.18Å; I165-L193 HydrophobicContact CG2-CD2 3.73Å; L193-T195 HydrophobicContact CD2-CG2 3.78Å; L193-T195 HydrophobicContact CG-CG2 4.01Å; L193-N202 PolarHBondContact N-O 3.27Å; L193-N202 PolarHBondContact O-N 3.4Å; L193-I204 HydrophobicContact CB-CD1 3.92Å; L193-I204 HydrophobicContact CB-CG1 4.25Å; L193-I204 HydrophobicContact CD2-CD1 3.57Å; L193-I204 HydrophobicContact CG-CD1 4.38Å; L193-R285 HydrophobicContact CD2-CB 3.99Å; L193-R285 HydrophobicContact CD2-CG 3.95Å; L193-L295 HydrophobicContact CD1-CD1 4.44Å |
| 194 | I | 73.7 | Confident | 74.8 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.087 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.6 | 174 | -59.6 | 165 | 0 | 0 | 0 | 107.7 | E201 K294 K298 | I194-E201 HydrophobicContact CG1-CG 3.82Å; I194-K294 HydrophobicContact CD1-CB 4.46Å; I194-K294 HydrophobicContact CG2-CD 4.2Å; I194-K298 HydrophobicContact CD1-CD 4.02Å |
| 195 | T | 62.1 | Low | 75.6 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | trans | -113.4 | -9.7 | 178 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | F72 L193 N202 R285 L287 S291 | F72-T195 WeakPolarHBondContact CE1-O 3.26Å; L193-T195 HydrophobicContact CD2-CG2 3.78Å; L193-T195 HydrophobicContact CG-CG2 4.01Å; T195-N202 PolarHBondContact OG1-ND2 3.46Å; T195-R285 HydrophobicContact CG2-CB 3.9Å; T195-R285 HydrophobicContact CG2-CG 4.06Å; T195-L287 HydrophobicContact CG2-CD2 4.36Å; T195-S291 VanDerWaalsContact C-OG 3.31Å; T195-S291 PolarHBondContact O-OG 2.97Å | ||
| 196 | S | 62.1 | Low | 76.1 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -127.9 | 157.1 | -172.7 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | E198 S291 | S196-E198 PolarHBondContact O-N 3.4Å; S196-S291 PolarHBondContact N-OG 3.34Å |
| 197 | S | 57.8 | Low | 76.1 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 41% | 0.406 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.8 | 175.6 | -71.6 | 0 | 0 | 0 | 0 | 113.4 | N199 K294 | S197-N199 PolarHBondContact O-N 3.41Å; S197-N199 VanDerWaalsContact O-N 3.16Å; S197-K294 PolarHBondContact O-NZ 3.33Å |
| 198 | E | 57.6 | Low | 75.6 | Confident | 152 Ų | 152 | 38.5 Ų | 38.5 | 71% | 0.71 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | 8.6 | -170.4 | -63 | -169.7 | 164 | 0 | 0 | 114.9 | S196 I200 | S196-E198 PolarHBondContact O-N 3.4Å; E198-I200 HydrophobicContact CB-CD1 4.03Å; E198-I200 HydrophobicContact CB-CG1 4.02Å; E198-I200 PolarHBondContact O-N 2.98Å |
| 199 | N | 53.7 | Low | 75.3 | Confident | 110 Ų | 110 | 38.7 Ų | 38.7 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | trans | 57.8 | 16.3 | -175.2 | -76.5 | -11.3 | 0 | 0 | 0 | 114 | S197 E201 K294 | S197-N199 PolarHBondContact O-N 3.41Å; S197-N199 VanDerWaalsContact O-N 3.16Å; N199-E201 PolarHBondContact O-N 3.11Å; N199-E201 VanDerWaalsContact O-N 3.16Å; N199-K294 VanDerWaalsContact OD1-CE 3.3Å; N199-K294 WeakPolarHBondContact OD1-CE 3.25Å; N199-K294 PolarHBondContact OD1-NZ 2.63Å | ||
| 200 | I | 60.7 | Low | 74.9 | Confident | 88 Ų | 88 | 42.3 Ų | 42.3 | 45% | 0.451 | 22% | 0.216 | S | C | . | . | trans | -78 | 105.5 | 172 | -55.3 | 172.2 | 0 | 0 | 0 | 106.6 | E198 N202 | E198-I200 HydrophobicContact CB-CD1 4.03Å; E198-I200 HydrophobicContact CB-CG1 4.02Å; E198-I200 PolarHBondContact O-N 2.98Å; I200-N202 PolarHBondContact O-N 3.4Å | ||
| 201 | E | 60.2 | Low | 74.6 | Confident | 69 Ų | 69 | 45 Ų | 45 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 111.6 | 172.2 | -71.5 | -173.7 | 144.2 | 0 | 0 | 109.2 | I194 N199 K298 R369 | I194-E201 HydrophobicContact CG1-CG 3.82Å; N199-E201 PolarHBondContact O-N 3.11Å; N199-E201 VanDerWaalsContact O-N 3.16Å; E201-K298 IonicContact OE1-NZ 2.69Å; E201-K298 PolarHBondContact OE1-NZ 3.02Å; E201-R369 VanDerWaalsContact CD-NH1 3.29Å; E201-R369 IonicContact OE1-NH1 3.27Å; E201-R369 PolarHBondContact OE1-NH1 3.41Å; E201-R369 IonicContact OE2-CZ 3.94Å; E201-R369 IonicContact OE2-NH1 2.71Å; E201-R369 PolarHBondContact OE2-NH1 3.18Å; E201-R369 IonicContact OE2-NH2 2.83Å; E201-R369 PolarHBondContact OE2-NH2 3.12Å |
| 202 | N | 73.3 | Confident | 74.2 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.2 | 175.5 | -73.9 | -42.6 | 0 | 0 | 0 | 109 | L193 T195 I200 I204 | L193-N202 PolarHBondContact N-O 3.27Å; L193-N202 PolarHBondContact O-N 3.4Å; T195-N202 PolarHBondContact OG1-ND2 3.46Å; I200-N202 PolarHBondContact O-N 3.4Å; N202-I204 PolarHBondContact O-N 2.97Å |
| 203 | A | 77.7 | Confident | 73.9 | Confident | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 120.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L191 I205 L373 V377 | L191-A203 WeakPolarHBondContact O-CA 3.33Å; A203-I205 HydrophobicContact CB-CD1 4.25Å; A203-I205 HydrophobicContact CB-CG1 4.01Å; A203-L373 HydrophobicContact CB-CD2 3.66Å; A203-V377 HydrophobicContact CB-CG2 4.26Å |
| 204 | I | 82.2 | Confident | 73.4 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.1 | 159 | -71.7 | 179.4 | 0 | 0 | 0 | 106.4 | V167 A190 L191 L193 N202 H283 R285 | V167-I204 HydrophobicContact CB-CD1 4.43Å; V167-I204 HydrophobicContact CG2-CD1 4.07Å; A190-I204 CarbonylContact C-O 3.52Å; A190-I204 WeakPolarHBondContact CA-O 3.15Å; L191-I204 HydrophobicContact CD1-CB 4.07Å; L191-I204 HydrophobicContact CD1-CD1 4.06Å; L191-I204 HydrophobicContact CD1-CG1 4.45Å; L191-I204 HydrophobicContact CG-CB 4.02Å; L191-I204 HydrophobicContact CG-CG2 4.33Å; L191-I204 PolarHBondContact N-O 3.27Å; L191-I204 PolarHBondContact O-N 2.94Å; L193-I204 HydrophobicContact CB-CD1 3.92Å; L193-I204 HydrophobicContact CB-CG1 4.25Å; L193-I204 HydrophobicContact CD2-CD1 3.57Å; L193-I204 HydrophobicContact CG-CD1 4.38Å; N202-I204 PolarHBondContact O-N 2.97Å; I204-H283 HydrophobicContact CD1-CB 4.44Å; I204-H283 HydrophobicContact CG2-CB 4.1Å; I204-H283 WeakPolarHBondContact CG2-ND1 3.23Å; I204-R285 HydrophobicContact CD1-CG 4.28Å |
| 205 | I | 86.1 | Confident | 73.4 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116.7 | -174.6 | -56.8 | 168.7 | 0 | 0 | 0 | 108.1 | V188 A190 A203 H283 V377 K380 V381 | V188-I205 HydrophobicContact CG1-CG2 4.05Å; A190-I205 HydrophobicContact CB-CG1 4.45Å; A203-I205 HydrophobicContact CB-CD1 4.25Å; A203-I205 HydrophobicContact CB-CG1 4.01Å; I205-H283 PolarHBondContact O-CE1 3.41Å; I205-V377 HydrophobicContact CD1-CB 4.22Å; I205-V377 HydrophobicContact CD1-CG1 3.96Å; I205-V377 HydrophobicContact CD1-CG2 4.02Å; I205-V377 HydrophobicContact CG1-CG1 4.09Å; I205-V377 HydrophobicContact CG1-CG2 3.99Å; I205-V377 HydrophobicContact CG2-CG1 3.86Å; I205-K380 HydrophobicContact CD1-CB 3.85Å; I205-K380 HydrophobicContact CD1-CD 3.67Å; I205-K380 HydrophobicContact CD1-CG 4.4Å; I205-V381 HydrophobicContact CG2-CG2 4.21Å |
| 206 | S | 88.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.8 | 164.8 | -73 | 0 | 0 | 0 | 0 | 108.8 | I169 V188 A189 W279 Q281 H283 | I169-S206 WeakPolarHBondContact CD1-OG 3.23Å; V188-S206 WeakPolarHBondContact CA-O 3.24Å; A189-S206 PolarHBondContact N-O 2.81Å; A189-S206 PolarHBondContact O-N 3.49Å; S206-W279 PolarHBondContact O-NE1 2.81Å; S206-Q281 VanDerWaalsContact CA-OE1 3.3Å; S206-Q281 PolarHBondContact OG-OE1 3.5Å; S206-Q281 VanDerWaalsContact OG-OE1 3.07Å; S206-H283 PolarHBondContact OG-NE2 2.93Å |
| 207 | N | 82.7 | Confident | 73.6 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 174.1 | 174.3 | 68.2 | 6.5 | 0 | 0 | 0 | 111.1 | G209 Q281 Q384 | N207-G209 VanDerWaalsContact C-N 3.3Å; N207-G209 PolarHBondContact O-N 3.07Å; N207-Q281 PolarHBondContact O-NE2 2.86Å; N207-Q281 VanDerWaalsContact O-NE2 3.15Å; N207-Q384 PolarHBondContact ND2-OE1 2.85Å |
| 208 | K | 77.1 | Confident | 73.8 | Confident | 147 Ų | 147 | 60.5 Ų | 60.5 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 62.1 | 34.7 | 176.6 | -53.5 | 171.9 | -177.5 | 172.2 | 0 | 113 | N186 Y210 | N186-K208 VanDerWaalsContact OD1-CA 3.24Å; N186-K208 WeakPolarHBondContact OD1-CA 3.39Å; N186-K208 PolarHBondContact OD1-N 3.26Å; K208-Y210 WeakPolarHBondContact O-CD1 3.35Å |
| 209 | G | 83.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 142.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F187 N207 W279 | F187-G209 WeakPolarHBondContact CD2-O 3.28Å; F187-G209 PolarHBondContact N-O 2.99Å; F187-G209 PolarHBondContact O-N 2.98Å; N207-G209 VanDerWaalsContact C-N 3.3Å; N207-G209 PolarHBondContact O-N 3.07Å; G209-W279 VanDerWaalsContact CA-NE1 3.3Å |
| 210 | Y | 83.3 | Confident | 74 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 30% | 0.302 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.7 | -175.4 | 56.3 | -76 | 0 | 0 | 0 | 111 | K208 K212 E218 K225 V277 V278 | K208-Y210 WeakPolarHBondContact O-CD1 3.35Å; Y210-K212 HydrophobicContact CD2-CG 3.97Å; Y210-K212 HydrophobicContact CE2-CD 4.07Å; Y210-K212 HydrophobicContact CE2-CG 3.9Å; Y210-K212 VanDerWaalsContact CZ-CE 3.44Å; Y210-K212 WeakPolarHBondContact OH-CE 3.05Å; Y210-K212 PolarHBondContact OH-NZ 2.74Å; Y210-E218 PolarHBondContact OH-OE2 2.87Å; Y210-K225 PolarHBondContact OH-NZ 3.39Å; Y210-V277 WeakPolarHBondContact O-CA 3.49Å; Y210-V278 WeakPolarHBondContact CD1-O 3.3Å; Y210-V278 PolarHBondContact N-O 3.38Å; Y210-V278 PolarHBondContact O-N 3.14Å |
| 211 | L | 84.9 | Confident | 74.3 | Confident | 57 Ų | 57 | 53 Ų | 53 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.7 | -179.5 | -171.9 | 71.2 | 0 | 0 | 0 | 109.8 | V175 F179 F187 N275 V277 | V175-L211 HydrophobicContact CG2-CD1 3.98Å; F179-L211 VanDerWaalsContact O-CD2 3.31Å; F179-L211 WeakPolarHBondContact O-CD2 3.29Å; F187-L211 HydrophobicContact CE2-CB 4.4Å; L211-N275 HydrophobicContact CD1-CB 3.8Å; L211-N275 HydrophobicContact CD2-CB 4.47Å; L211-N275 HydrophobicContact CG-CB 4.13Å; L211-V277 HydrophobicContact CD1-CG2 4.08Å |
| 212 | K | 82.8 | Confident | 74.6 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.8 | 174.8 | -71.5 | -169.6 | 176.8 | 176.5 | 0 | 111.3 | Y210 E218 Y219 N275 K276 V278 | Y210-K212 HydrophobicContact CD2-CG 3.97Å; Y210-K212 HydrophobicContact CE2-CD 4.07Å; Y210-K212 HydrophobicContact CE2-CG 3.9Å; Y210-K212 VanDerWaalsContact CZ-CE 3.44Å; Y210-K212 WeakPolarHBondContact OH-CE 3.05Å; Y210-K212 PolarHBondContact OH-NZ 2.74Å; K212-E218 PolarHBondContact NZ-O 2.89Å; K212-E218 IonicContact NZ-OE2 2.99Å; K212-E218 PolarHBondContact NZ-OE2 3.49Å; K212-Y219 HydrophobicContact CB-CD2 4.11Å; K212-N275 CarbonylContact O-C 3.51Å; K212-N275 WeakPolarHBondContact O-CA 3.46Å; K212-N275 WeakPolarHBondContact O-CB 3.37Å; K212-K276 PolarHBondContact N-O 3.09Å; K212-K276 PolarHBondContact O-N 3.08Å; K212-V278 HydrophobicContact CB-CG2 4.37Å; K212-V278 HydrophobicContact CD-CB 4.27Å; K212-V278 HydrophobicContact CD-CG2 3.95Å; K212-V278 HydrophobicContact CG-CG2 4.24Å |
| 213 | S | 80.6 | Confident | 74.7 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | trans | -95.4 | 152.6 | 171.8 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | S215 D216 Y219 N275 | S213-S215 PolarHBondContact O-N 2.91Å; S213-D216 PolarHBondContact N-OD2 3.49Å; S213-D216 WeakPolarHBondContact O-CB 3.48Å; S213-D216 PolarHBondContact O-N 2.92Å; S213-D216 PolarHBondContact OG-OD2 2.99Å; S213-D216 VanDerWaalsContact OG-OD2 3.05Å; S213-Y219 WeakPolarHBondContact O-CD2 3.42Å; S213-N275 VanDerWaalsContact CA-OD1 3.25Å; S213-N275 WeakPolarHBondContact CA-OD1 3.31Å; S213-N275 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 214 | P | 72.1 | Confident | 74.9 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.8 | 176.7 | -25.5 | 33.4 | 0 | 0 | 0 | 114.7 | D216 Y219 S272 V273 N275 | P214-D216 VanDerWaalsContact C-N 3.28Å; P214-D216 PolarHBondContact O-N 3.3Å; P214-Y219 HydrophobicContact CB-CE2 4.4Å; P214-Y219 HydrophobicContact CG-CE2 4.08Å; P214-S272 WeakPolarHBondContact CB-O 3.41Å; P214-V273 WeakPolarHBondContact CG-O 3.46Å; P214-N275 WeakPolarHBondContact CD-OD1 3.38Å |
| 215 | S | 72.6 | Confident | 75 | Confident | 116 Ų | 116 | 55 Ų | 55 | 81% | 0.811 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.9 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | S213 | S213-S215 PolarHBondContact O-N 2.91Š|
| 216 | D | 69.1 | Low | 74.8 | Confident | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -76.2 | 130.7 | -179 | -64.6 | -44.6 | 0 | 0 | 0 | 111.1 | S213 P214 E218 Y219 | S213-D216 PolarHBondContact N-OD2 3.49Å; S213-D216 WeakPolarHBondContact O-CB 3.48Å; S213-D216 PolarHBondContact O-N 2.92Å; S213-D216 PolarHBondContact OG-OD2 2.99Å; S213-D216 VanDerWaalsContact OG-OD2 3.05Å; P214-D216 VanDerWaalsContact C-N 3.28Å; P214-D216 PolarHBondContact O-N 3.3Å; D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 VanDerWaalsContact O-N 3.17Å; D216-Y219 WeakPolarHBondContact O-CB 3.43Å; D216-Y219 PolarHBondContact O-N 3.02Å |
| 217 | A | 60.1 | Low | 74.4 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 89% | 0.893 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -32.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y219 | A217-Y219 VanDerWaalsContact C-N 3.28Å; A217-Y219 PolarHBondContact O-N 3.17Å |
| 218 | E | 61.3 | Low | 73.9 | Confident | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 7.4 | 176.5 | -58.7 | -173.1 | 173.9 | 0 | 0 | 113.7 | Y210 K212 D216 I220 S221 | Y210-E218 PolarHBondContact OH-OE2 2.87Å; K212-E218 PolarHBondContact NZ-O 2.89Å; K212-E218 IonicContact NZ-OE2 2.99Å; K212-E218 PolarHBondContact NZ-OE2 3.49Å; D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 VanDerWaalsContact O-N 3.17Å; E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.33Å; E218-S221 WeakPolarHBondContact O-CB 3.26Å; E218-S221 PolarHBondContact O-N 3.44Å |
| 219 | Y | 56.4 | Low | 73.4 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -40 | -179.5 | -176.9 | -87.7 | 0 | 0 | 0 | 110.6 | K212 S213 P214 D216 A217 A270 N271 K274 K276 | K212-Y219 HydrophobicContact CB-CD2 4.11Å; S213-Y219 WeakPolarHBondContact O-CD2 3.42Å; P214-Y219 HydrophobicContact CB-CE2 4.4Å; P214-Y219 HydrophobicContact CG-CE2 4.08Å; D216-Y219 WeakPolarHBondContact O-CB 3.43Å; D216-Y219 PolarHBondContact O-N 3.02Å; A217-Y219 VanDerWaalsContact C-N 3.28Å; A217-Y219 PolarHBondContact O-N 3.17Å; Y219-A270 PolarHBondContact OH-O 3.07Å; Y219-N271 WeakPolarHBondContact CE1-O 3.37Å; Y219-K274 PolarHBondContact OH-O 3.14Å; Y219-K276 HydrophobicContact CD2-CD 4.25Å; Y219-K276 HydrophobicContact CD2-CG 4.11Å; Y219-K276 HydrophobicContact CE1-CD 4.16Å; Y219-K276 HydrophobicContact CE2-CD 3.73Å; Y219-K276 HydrophobicContact CE2-CG 3.55Å; Y219-K276 WeakPolarHBondContact O-CE 3.29Å; Y219-K276 PolarHBondContact O-NZ 3Å |
| 220 | I | 59.6 | Low | 72.9 | Confident | 141 Ų | 141 | 53.4 Ų | 53.4 | 72% | 0.723 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 5.7 | -178 | -48 | 173.7 | 0 | 0 | 0 | 111.7 | E218 T222 | E218-I220 VanDerWaalsContact C-N 3.25Å; E218-I220 PolarHBondContact O-N 3.33Å; I220-T222 PolarHBondContact O-N 3.41Å |
| 221 | S | 66 | Low | 72.3 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -60.4 | 127.8 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 111 | E218 N280 | E218-S221 WeakPolarHBondContact O-CB 3.26Å; E218-S221 PolarHBondContact O-N 3.44Å; S221-N280 PolarHBondContact O-ND2 2.88Å | ||
| 222 | T | 67 | Low | 71.3 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | trans | -99.5 | 1.4 | 177.8 | 54 | 0 | 0 | 0 | 0 | 112.7 | I220 | I220-T222 PolarHBondContact O-N 3.41Š| ||
| 223 | S | 75.1 | Confident | 70.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | trans | -75.4 | 129.8 | -178.7 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 224 | Y | 81.8 | Confident | 70 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | trans | -83.9 | 146.5 | 178 | -67.9 | -64.8 | 0 | 0 | 0 | 111.9 | N168 E170 M239 N280 Q282 E470 | N168-Y224 HydrophobicContact CB-CE1 3.79Å; E170-Y224 HydrophobicContact CG-CE1 4.11Å; Y224-M239 WeakPolarHBondContact O-CB 3.46Å; Y224-M239 PolarHBondContact O-N 2.98Å; Y224-N280 CarbonylContact C-O 3.38Å; Y224-N280 VanDerWaalsContact CA-O 3.3Å; Y224-N280 WeakPolarHBondContact CA-O 3.38Å; Y224-Q282 HydrophobicContact CD1-CB 4.33Å; Y224-Q282 HydrophobicContact CG-CB 4.02Å; Y224-E470 PolarHBondContact OH-OE2 3.46Å | ||
| 225 | K | 84.4 | Confident | 69.7 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 153.4 | 178.2 | -63.2 | 179.5 | -179 | -176.6 | 0 | 110.9 | Y210 D237 I238 N280 Q281 Q282 | Y210-K225 PolarHBondContact OH-NZ 3.39Å; K225-D237 CarbonylContact C-O 3.59Å; K225-D237 VanDerWaalsContact CA-O 3.3Å; K225-D237 WeakPolarHBondContact CA-O 3.43Å; K225-I238 HydrophobicContact CG-CG1 4.24Å; K225-N280 PolarHBondContact N-O 3.36Å; K225-Q281 HydrophobicContact CB-CG 4.44Å; K225-Q281 WeakPolarHBondContact O-CA 3.28Å; K225-Q282 PolarHBondContact O-N 3.05Å |
| 226 | W | 82.6 | Confident | 69.2 | Low | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 34% | 0.336 | C | S | . | . | trans | -65.9 | 130.1 | 168.8 | -69.4 | 101.4 | 0 | 0 | 0 | 110.6 | P82 D111 A228 S229 D237 M239 | P82-W226 HydrophobicContact CB-CD2 3.82Å; P82-W226 HydrophobicContact CB-CE3 4.35Å; P82-W226 HydrophobicContact CB-CG 4.16Å; P82-W226 HydrophobicContact CB-CZ2 4.01Å; P82-W226 HydrophobicContact CG-CB 4.33Å; P82-W226 HydrophobicContact CG-CD2 3.77Å; P82-W226 HydrophobicContact CG-CE3 4.23Å; P82-W226 HydrophobicContact CG-CG 3.77Å; D111-W226 HydrophobicContact CB-CH2 3.64Å; D111-W226 HydrophobicContact CB-CZ2 3.81Å; W226-A228 VanDerWaalsContact C-N 3.3Å; W226-S229 PolarHBondContact O-OG 3.16Å; W226-S229 VanDerWaalsContact O-OG 3.11Å; W226-D237 VanDerWaalsContact CD1-O 3.31Å; W226-D237 PolarHBondContact N-O 3.41Å; W226-M239 HydrophobicContact CD2-CE 3.5Å; W226-M239 HydrophobicContact CD2-CG 3.87Å; W226-M239 VanDerWaalsContact CE2-CG 3.48Å; W226-M239 HydrophobicContact CE3-CE 3.31Å; W226-M239 HydrophobicContact CG-CE 4.19Å; W226-M239 HydrophobicContact CG-CG 4.05Å; W226-M239 HydrophobicContact CH2-CE 3.8Å; W226-M239 HydrophobicContact CZ2-CE 3.99Å; W226-M239 HydrophobicContact CZ2-CG 3.88Å; W226-M239 HydrophobicContact CZ2-SD 4.48Å; W226-M239 HydrophobicContact CZ3-CE 3.48Å; W226-M239 VanDerWaalsContact CZ3-CE 3.48Å | ||
| 227 | P | 78.6 | Confident | 69.3 | Low | 25 Ų | 25 | 54.1 Ų | 54.1 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -33.5 | 173.7 | -17.9 | 28.1 | 0 | 0 | 0 | 112.7 | Q281 Q282 H283 | P227-Q281 HydrophobicContact CG-CB 4.29Å; P227-Q282 VanDerWaalsContact CD-O 3.25Å; P227-Q282 WeakPolarHBondContact CD-O 3.4Å; P227-Q282 WeakPolarHBondContact CG-O 3.13Å; P227-H283 WeakPolarHBondContact CB-CE1 3.36Å; P227-H283 WeakPolarHBondContact CG-CE1 3.33Å; P227-H283 VanDerWaalsContact CG-ND1 3.34Å; P227-H283 WeakPolarHBondContact CG-ND1 3.03Å |
| 228 | A | 74.3 | Confident | 70 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 69.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W226 G230 | W226-A228 VanDerWaalsContact C-N 3.3Å; A228-G230 PolarHBondContact O-N 2.79Å |
| 229 | S | 66.4 | Low | 70.7 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | trans | -65 | -3.1 | -176.5 | -32.9 | 0 | 0 | 0 | 0 | 115.1 | W226 S231 A232 D237 | W226-S229 PolarHBondContact O-OG 3.16Å; W226-S229 VanDerWaalsContact O-OG 3.11Å; S229-S231 PolarHBondContact O-N 3.35Å; S229-A232 VanDerWaalsContact O-CB 3.3Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.17Å; S229-D237 WeakPolarHBondContact CB-OD1 3.27Å; S229-D237 PolarHBondContact OG-OD1 2.82Å | ||
| 230 | G | 71 | Confident | 71.3 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -117.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | A228 | A228-G230 PolarHBondContact O-N 2.79Š|
| 231 | S | 71 | Confident | 71.3 | Confident | 41 Ų | 41 | 45 Ų | 45 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.5 | 179 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | E37 Q107 S229 | E37-S231 VanDerWaalsContact OE2-CB 3.24Å; E37-S231 WeakPolarHBondContact OE2-CB 3.35Å; E37-S231 PolarHBondContact OE2-OG 2.95Å; Q107-S231 PolarHBondContact NE2-O 3.31Å; S229-S231 PolarHBondContact O-N 3.35Å |
| 232 | A | 64.4 | Low | 70.9 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | trans | -65.2 | 150.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V84 T109 S229 A236 D237 | V84-A232 HydrophobicContact CG1-CB 3.9Å; V84-A232 HydrophobicContact CG2-CB 4.1Å; T109-A232 HydrophobicContact CG2-CB 3.78Å; S229-A232 VanDerWaalsContact O-CB 3.3Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.17Å; A232-A236 HydrophobicContact CB-CB 4.25Å; A232-D237 WeakPolarHBondContact CB-OD1 3.27Å; A232-D237 VanDerWaalsContact O-OD1 3.09Å | ||
| 233 | R | 67.6 | Low | 70.1 | Confident | 154 Ų | 154 | 44.2 Ų | 44.2 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | trans | -136.7 | 143.7 | -176.7 | -61.1 | -179.2 | 179 | 179.8 | -0.8 | 111.5 | Q107 F235 A236 D237 | Q107-R233 VanDerWaalsContact OE1-N 3.07Å; R233-F235 PolarHBondContact O-N 2.97Å; R233-A236 WeakPolarHBondContact O-CB 3.31Å; R233-A236 PolarHBondContact O-N 3.27Å; R233-D237 PolarHBondContact N-OD1 3.35Å | ||
| 234 | S | 69.4 | Low | 68.7 | Low | 85 Ų | 85 | 46.9 Ų | 46.9 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | 58.8 | -128.3 | 169.5 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | A236 D237 | S234-A236 PolarHBondContact O-N 2.94Å; S234-D237 PolarHBondContact N-OD2 3.02Å; S234-D237 WeakPolarHBondContact O-CB 3.29Å; S234-D237 PolarHBondContact O-N 3.06Å; S234-D237 VanDerWaalsContact O-N 3.12Å |
| 235 | F | 65.7 | Low | 67 | Low | 100 Ų | 100 | 54 Ų | 54 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -61.4 | -21.7 | 179.4 | -65.6 | -73.8 | 0 | 0 | 0 | 114.2 | F129 R233 D237 I238 | F129-F235 HydrophobicContact CB-CB 4.21Å; F129-F235 HydrophobicContact CD1-CB 3.6Å; F129-F235 HydrophobicContact CD1-CG 4.42Å; F129-F235 HydrophobicContact CD2-CB 4.25Å; F129-F235 HydrophobicContact CE1-CB 3.97Å; F129-F235 HydrophobicContact CG-CB 3.76Å; F129-F235 HydrophobicContact CZ-CB 4.43Å; R233-F235 PolarHBondContact O-N 2.97Å; F235-D237 PolarHBondContact O-N 3.39Å; F235-I238 HydrophobicContact CB-CD1 4.49Å; F235-I238 HydrophobicContact CD1-CD1 3.86Å; F235-I238 WeakPolarHBondContact O-CB 3.39Å; F235-I238 WeakPolarHBondContact O-CG1 3.41Å; F235-I238 PolarHBondContact O-N 3.47Å |
| 236 | A | 62.4 | Low | 65.1 | Low | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -68.6 | -17.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q107 T109 A232 R233 S234 I238 | Q107-A236 HydrophobicContact CB-CB 3.58Å; T109-A236 WeakPolarHBondContact CG2-O 3.45Å; T109-A236 PolarHBondContact OG1-O 2.59Å; A232-A236 HydrophobicContact CB-CB 4.25Å; R233-A236 WeakPolarHBondContact O-CB 3.31Å; R233-A236 PolarHBondContact O-N 3.27Å; S234-A236 PolarHBondContact O-N 2.94Å; A236-I238 PolarHBondContact O-N 3.29Å |
| 237 | D | 70.5 | Confident | 63.1 | Low | 33 Ų | 33 | 56 Ų | 56 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -75.9 | -10.7 | 177 | -61.7 | -22.9 | 0 | 0 | 0 | 112.7 | K225 W226 S229 A232 R233 S234 F235 | K225-D237 CarbonylContact C-O 3.59Å; K225-D237 VanDerWaalsContact CA-O 3.3Å; K225-D237 WeakPolarHBondContact CA-O 3.43Å; W226-D237 VanDerWaalsContact CD1-O 3.31Å; W226-D237 PolarHBondContact N-O 3.41Å; S229-D237 WeakPolarHBondContact CB-OD1 3.27Å; S229-D237 PolarHBondContact OG-OD1 2.82Å; A232-D237 WeakPolarHBondContact CB-OD1 3.27Å; A232-D237 VanDerWaalsContact O-OD1 3.09Å; R233-D237 PolarHBondContact N-OD1 3.35Å; S234-D237 PolarHBondContact N-OD2 3.02Å; S234-D237 WeakPolarHBondContact O-CB 3.29Å; S234-D237 PolarHBondContact O-N 3.06Å; S234-D237 VanDerWaalsContact O-N 3.12Å; F235-D237 PolarHBondContact O-N 3.39Å |
| 238 | I | 75.3 | Confident | 61.2 | Low | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 130.6 | 179 | -60.3 | 173.4 | 0 | 0 | 0 | 109.1 | T109 K225 F235 A236 Q240 | T109-I238 PolarHBondContact OG1-O 2.97Å; K225-I238 HydrophobicContact CG-CG1 4.24Å; F235-I238 HydrophobicContact CB-CD1 4.49Å; F235-I238 HydrophobicContact CD1-CD1 3.86Å; F235-I238 WeakPolarHBondContact O-CB 3.39Å; F235-I238 WeakPolarHBondContact O-CG1 3.41Å; F235-I238 PolarHBondContact O-N 3.47Å; A236-I238 PolarHBondContact O-N 3.29Å; I238-Q240 PolarHBondContact O-N 3.23Å |
| 239 | M | 75 | Confident | 59.8 | Low | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | trans | -67 | 101.4 | 172.4 | -71.5 | -177.1 | 169.6 | 0 | 0 | 109.8 | Y224 W226 T241 S242 Q282 | Y224-M239 WeakPolarHBondContact O-CB 3.46Å; Y224-M239 PolarHBondContact O-N 2.98Å; W226-M239 HydrophobicContact CD2-CE 3.5Å; W226-M239 HydrophobicContact CD2-CG 3.87Å; W226-M239 VanDerWaalsContact CE2-CG 3.48Å; W226-M239 HydrophobicContact CE3-CE 3.31Å; W226-M239 HydrophobicContact CG-CE 4.19Å; W226-M239 HydrophobicContact CG-CG 4.05Å; W226-M239 HydrophobicContact CH2-CE 3.8Å; W226-M239 HydrophobicContact CZ2-CE 3.99Å; W226-M239 HydrophobicContact CZ2-CG 3.88Å; W226-M239 HydrophobicContact CZ2-SD 4.48Å; W226-M239 HydrophobicContact CZ3-CE 3.48Å; W226-M239 VanDerWaalsContact CZ3-CE 3.48Å; M239-T241 PolarHBondContact O-N 3.28Å; M239-S242 WeakPolarHBondContact O-CB 3.31Å; M239-S242 PolarHBondContact O-N 3.44Å; M239-S242 VanDerWaalsContact O-N 3.08Å; M239-S242 PolarHBondContact O-OG 3.04Å; M239-Q282 HydrophobicContact CE-CB 3.98Å; M239-Q282 HydrophobicContact CE-CG 4.16Å; M239-Q282 WeakPolarHBondContact CE-O 3.44Å; M239-Q282 HydrophobicContact SD-CB 3.76Å; M239-Q282 HydrophobicContact SD-CG 4.04Å | ||
| 240 | Q | 68.6 | Low | 58.7 | Low | 56 Ų | 56 | 63.8 Ų | 63.8 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.8 | 174.8 | -62 | -170.1 | 23.2 | 0 | 0 | 112.3 | K127 I238 S242 | K127-Q240 PolarHBondContact O-NE2 3.45Å; I238-Q240 PolarHBondContact O-N 3.23Å; Q240-S242 VanDerWaalsContact C-N 3.32Å |
| 241 | T | 60.3 | Low | 57.7 | Low | 45 Ų | 45 | 64.5 Ų | 64.5 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.3 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | D111 M124 M239 L243 R284 | D111-T241 WeakPolarHBondContact OD2-CB 3.45Å; D111-T241 PolarHBondContact OD2-OG1 2.91Å; M124-T241 HydrophobicContact CE-CG2 4.37Å; M239-T241 PolarHBondContact O-N 3.28Å; T241-L243 PolarHBondContact O-N 3.42Å; T241-R284 PolarHBondContact OG1-NH2 3Å |
| 242 | S | 57.1 | Low | 56.8 | Low | 15 Ų | 15 | 71.6 Ų | 71.6 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | trans | -63.9 | 121.6 | 179.5 | 70.8 | 0 | 0 | 0 | 0 | 109.8 | M239 Q240 P244 | M239-S242 WeakPolarHBondContact O-CB 3.31Å; M239-S242 PolarHBondContact O-N 3.44Å; M239-S242 VanDerWaalsContact O-N 3.08Å; M239-S242 PolarHBondContact O-OG 3.04Å; Q240-S242 VanDerWaalsContact C-N 3.32Å; S242-P244 WeakPolarHBondContact O-CD 3.32Å; S242-P244 WeakPolarHBondContact O-CG 3.46Å; S242-P244 VanDerWaalsContact O-N 3.09Å | ||
| 243 | L | 51.4 | Low | 56.8 | Low | 105 Ų | 105 | 76.1 Ų | 76.1 | 55% | 0.55 | 39% | 0.388 | S | S | . | . | trans | -58.2 | 104.2 | 178.1 | -70.7 | 157.1 | 0 | 0 | 0 | 110.6 | T241 I246 | T241-L243 PolarHBondContact O-N 3.42Å; L243-I246 HydrophobicContact CD1-CD1 4.22Å | ||
| 244 | P | 45.8 | Very low | 57.2 | Low | 99 Ų | 99 | 70 Ų | 70 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | trans | -77.9 | -27.8 | -179.2 | -9.7 | 28.2 | 0 | 0 | 0 | 111.8 | S242 I246 | S242-P244 WeakPolarHBondContact O-CD 3.32Å; S242-P244 WeakPolarHBondContact O-CG 3.46Å; S242-P244 VanDerWaalsContact O-N 3.09Å; P244-I246 PolarHBondContact O-N 2.88Å | ||
| 245 | E | 44.7 | Very low | 57.7 | Low | 165 Ų | 165 | 68.5 Ų | 68.5 | 77% | 0.771 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -74 | -23.4 | -164.6 | -71.6 | -175.5 | 149 | 0 | 0 | 114.8 | ||
| 246 | I | 45 | Very low | 58.6 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -90.3 | -22.8 | -169 | -53.8 | 174.1 | 0 | 0 | 0 | 112.7 | L243 P244 L248 T249 L250 R472 | L243-I246 HydrophobicContact CD1-CD1 4.22Å; P244-I246 PolarHBondContact O-N 2.88Å; I246-L248 PolarHBondContact O-N 3.47Å; I246-T249 PolarHBondContact O-N 2.91Å; I246-T249 PolarHBondContact O-OG1 2.85Å; I246-L250 HydrophobicContact CG2-CD1 4.03Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.29Å; I246-L250 VanDerWaalsContact O-N 3.13Å; I246-R472 VanDerWaalsContact CG2-NH2 3.28Å |
| 247 | T | 41.5 | Very low | 59.6 | Low | 27 Ų | 27 | 68.1 Ų | 68.1 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -29.6 | 179.3 | -45.9 | 0 | 0 | 0 | 0 | 112 | ||
| 248 | L | 37.6 | Very low | 60.1 | Low | 142 Ų | 142 | 67.1 Ų | 67.1 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.3 | -36.3 | 177.9 | -75.4 | 166.2 | 0 | 0 | 0 | 112.8 | I246 | I246-L248 PolarHBondContact O-N 3.47Å |
| 249 | T | 45 | Very low | 60.2 | Low | 105 Ų | 105 | 67.3 Ų | 67.3 | 64% | 0.644 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -78 | -31.6 | 177.6 | 8.1 | 0 | 0 | 0 | 0 | 112.4 | I246 N251 | I246-T249 PolarHBondContact O-N 2.91Å; I246-T249 PolarHBondContact O-OG1 2.85Å; T249-N251 VanDerWaalsContact C-N 3.34Å; T249-N251 PolarHBondContact O-N 3.06Å |
| 250 | L | 43.5 | Very low | 60.1 | Low | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -28.8 | -179.4 | -84.3 | 163.5 | 0 | 0 | 0 | 114.5 | I246 K252 K253 Y348 R472 | I246-L250 HydrophobicContact CG2-CD1 4.03Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.29Å; I246-L250 VanDerWaalsContact O-N 3.13Å; L250-K252 PolarHBondContact O-N 2.93Å; L250-K253 PolarHBondContact O-N 2.88Å; L250-Y348 HydrophobicContact CD2-CD1 4.39Å; L250-Y348 HydrophobicContact CD2-CD2 3.39Å; L250-Y348 HydrophobicContact CD2-CE1 4.16Å; L250-Y348 HydrophobicContact CD2-CE2 3.1Å; L250-Y348 HydrophobicContact CD2-CG 4.05Å; L250-R472 VanDerWaalsContact CD1-NH2 3.34Å |
| 251 | N | 48.9 | Very low | 60.2 | Low | 74 Ų | 74 | 70.1 Ų | 70.1 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -9.7 | -174.8 | -77.4 | -17.6 | 0 | 0 | 0 | 114.8 | T249 | T249-N251 VanDerWaalsContact C-N 3.34Å; T249-N251 PolarHBondContact O-N 3.06Å |
| 252 | K | 53.2 | Low | 60.7 | Low | 191 Ų | 191 | 74 Ų | 74 | 83% | 0.83 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.8 | 179 | -66.5 | -171 | 178.4 | -175.3 | 0 | 114.3 | L250 | L250-K252 PolarHBondContact O-N 2.93Š|
| 253 | K | 65.2 | Low | 61.7 | Low | 105 Ų | 105 | 77.2 Ų | 77.2 | 46% | 0.457 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -136.3 | 81.8 | -174.9 | -65.3 | -171.6 | 179.2 | -166.8 | 0 | 109.7 | L250 | L250-K253 PolarHBondContact O-N 2.88Š|
| 254 | E | 75.6 | Confident | 63 | Low | 25 Ų | 25 | 74.4 Ų | 74.4 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | trans | -97 | 132.5 | 174.6 | -66 | -167.3 | 165.5 | 0 | 0 | 110.5 | I260 R267 R350 | E254-I260 HydrophobicContact CG-CD1 4.11Å; E254-I260 VanDerWaalsContact OE1-CD1 3.27Å; E254-I260 WeakPolarHBondContact OE1-CD1 3.42Å; E254-I260 WeakPolarHBondContact OE2-CD1 3.44Å; E254-I260 VanDerWaalsContact OE2-CG1 3.28Å; E254-I260 WeakPolarHBondContact OE2-CG1 3.37Å; E254-R267 IonicContact OE1-NH2 2.69Å; E254-R267 PolarHBondContact OE1-NH2 3.43Å; E254-R267 IonicContact OE2-CZ 2.88Å; E254-R267 IonicContact OE2-NH2 3.99Å; E254-R267 PolarHBondContact OE2-NH2 3.19Å; E254-R350 CarbonylContact C-O 3.39Å; E254-R350 WeakPolarHBondContact CA-O 3.45Å; E254-R350 IonicContact OE1-CZ 2.63Å; E254-R350 IonicContact OE1-NH1 3.75Å; E254-R350 PolarHBondContact OE1-NH1 3.34Å; E254-R350 IonicContact OE1-NH2 3.11Å | ||
| 255 | D | 80.3 | Confident | 64.6 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -173.5 | 165.9 | -57.8 | -68.7 | 0 | 0 | 0 | 110.8 | V349 R350 G351 A352 | D255-V349 HydrophobicContact CB-CG1 4.22Å; D255-V349 WeakPolarHBondContact OD2-CA 3.4Å; D255-R350 PolarHBondContact N-O 3.01Å; D255-R350 PolarHBondContact OD2-N 2.61Å; D255-G351 WeakPolarHBondContact O-CA 3.18Å; D255-A352 PolarHBondContact O-N 3.29Å |
| 256 | G | 83.3 | Confident | 66.3 | Low | 32 Ų | 32 | 67.2 Ų | 67.2 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.9 | -172.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A352 | G256-A352 CarbonylContact C-O 3.46Å |
| 257 | D | 84 | Confident | 68.1 | Low | 62 Ų | 62 | 64.7 Ų | 64.7 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -82.7 | -24.4 | -172.2 | -56.2 | -56.4 | 0 | 0 | 0 | 112.7 | P259 Y263 A352 K354 | D257-P259 VanDerWaalsContact C-CD 3.44Å; D257-Y263 WeakPolarHBondContact O-CE2 3.1Å; D257-A352 PolarHBondContact N-O 3.49Å; D257-K354 HydrophobicContact CB-CB 3.87Å; D257-K354 WeakPolarHBondContact OD2-CB 3.37Å; D257-K354 PolarHBondContact OD2-N 3.14Å |
| 258 | F | 81.3 | Confident | 70 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -125.7 | 62.6 | -177.8 | -60 | -58.2 | 0 | 0 | 0 | 113.4 | Y263 A352 K354 F466 | F258-Y263 HydrophobicContact CB-CD2 4.22Å; F258-Y263 HydrophobicContact CB-CG 4.17Å; F258-Y263 AromaticContact CD1-CD1 3.56Å; F258-Y263 HydrophobicContact CD1-CD1 3.56Å; F258-Y263 HydrophobicContact CD1-CD2 4.07Å; F258-Y263 AromaticContact CD1-CE1 3.59Å; F258-Y263 HydrophobicContact CD1-CE1 3.59Å; F258-Y263 HydrophobicContact CD1-CE2 4.1Å; F258-Y263 AromaticContact CD1-CG 3.79Å; F258-Y263 HydrophobicContact CD1-CG 3.79Å; F258-Y263 AromaticContact CD1-CZ 3.85Å; F258-Y263 HydrophobicContact CE1-CD1 4.14Å; F258-Y263 AromaticContact CE1-CE1 3.88Å; F258-Y263 HydrophobicContact CE1-CE1 3.88Å; F258-Y263 HydrophobicContact CG-CG 4.46Å; F258-A352 HydrophobicContact CB-CB 3.9Å; F258-A352 PolarHBondContact N-O 2.91Å; F258-A352 WeakPolarHBondContact O-CB 3.41Å; F258-K354 HydrophobicContact CD2-CB 4.33Å; F258-K354 HydrophobicContact CE2-CB 3.65Å; F258-K354 HydrophobicContact CE2-CD 4.08Å; F258-K354 HydrophobicContact CE2-CG 3.82Å; F258-K354 HydrophobicContact CZ-CB 4.2Å; F258-K354 HydrophobicContact CZ-CD 3.79Å; F258-K354 HydrophobicContact CZ-CG 4.04Å; F258-F466 HydrophobicContact CD2-CB 3.48Å; F258-F466 VanDerWaalsContact CD2-CB 3.48Å; F258-F466 AromaticContact CD2-CD1 3.84Å; F258-F466 HydrophobicContact CD2-CD1 3.84Å; F258-F466 AromaticContact CD2-CG 3.78Å; F258-F466 HydrophobicContact CD2-CG 3.78Å; F258-F466 HydrophobicContact CE2-CB 3.78Å; F258-F466 HydrophobicContact CE2-CD1 4.16Å; F258-F466 HydrophobicContact CE2-CG 4.31Å |
| 259 | P | 77.2 | Confident | 72 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | trans | -60.4 | 147.3 | 176.6 | 26.7 | -35.5 | 0 | 0 | 0 | 111.7 | D257 G261 Y263 | D257-P259 VanDerWaalsContact C-CD 3.44Å; P259-G261 VanDerWaalsContact C-N 3.27Å; P259-G261 PolarHBondContact O-N 3.26Å; P259-G261 VanDerWaalsContact O-N 3.16Å; P259-Y263 HydrophobicContact CG-CD2 4.24Å; P259-Y263 HydrophobicContact CG-CE2 4.44Å; P259-Y263 PolarHBondContact O-N 3Å | ||
| 260 | I | 72.7 | Confident | 73.6 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.8 | -40.5 | -174.8 | -74 | 160.2 | 0 | 0 | 0 | 113.2 | E254 S264 | E254-I260 HydrophobicContact CG-CD1 4.11Å; E254-I260 VanDerWaalsContact OE1-CD1 3.27Å; E254-I260 WeakPolarHBondContact OE1-CD1 3.42Å; E254-I260 WeakPolarHBondContact OE2-CD1 3.44Å; E254-I260 VanDerWaalsContact OE2-CG1 3.28Å; E254-I260 WeakPolarHBondContact OE2-CG1 3.37Å; I260-S264 WeakPolarHBondContact O-CA 3.24Å; I260-S264 VanDerWaalsContact O-CB 3.22Å; I260-S264 WeakPolarHBondContact O-CB 3.47Å; I260-S264 PolarHBondContact O-N 3.23Å |
| 261 | G | 70.4 | Confident | 75.1 | Confident | 56 Ų | 56 | 61 Ų | 61 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.3 | -63 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | P259 Y263 | P259-G261 VanDerWaalsContact C-N 3.27Å; P259-G261 PolarHBondContact O-N 3.26Å; P259-G261 VanDerWaalsContact O-N 3.16Å; G261-Y263 VanDerWaalsContact C-N 3.33Å; G261-Y263 PolarHBondContact O-N 3.35Å |
| 262 | Q | 70.8 | Confident | 76.4 | Confident | 126 Ų | 126 | 61 Ų | 61 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.5 | -30 | -176.8 | -62.7 | 174.3 | 16.7 | 0 | 0 | 112.5 | ||
| 263 | Y | 77.7 | Confident | 77.5 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -110.6 | 20.1 | -173 | -61.6 | -84.6 | 0 | 0 | 0 | 113.6 | D257 F258 P259 G261 A265 L266 R267 | D257-Y263 WeakPolarHBondContact O-CE2 3.1Å; F258-Y263 HydrophobicContact CB-CD2 4.22Å; F258-Y263 HydrophobicContact CB-CG 4.17Å; F258-Y263 AromaticContact CD1-CD1 3.56Å; F258-Y263 HydrophobicContact CD1-CD1 3.56Å; F258-Y263 HydrophobicContact CD1-CD2 4.07Å; F258-Y263 AromaticContact CD1-CE1 3.59Å; F258-Y263 HydrophobicContact CD1-CE1 3.59Å; F258-Y263 HydrophobicContact CD1-CE2 4.1Å; F258-Y263 AromaticContact CD1-CG 3.79Å; F258-Y263 HydrophobicContact CD1-CG 3.79Å; F258-Y263 AromaticContact CD1-CZ 3.85Å; F258-Y263 HydrophobicContact CE1-CD1 4.14Å; F258-Y263 AromaticContact CE1-CE1 3.88Å; F258-Y263 HydrophobicContact CE1-CE1 3.88Å; F258-Y263 HydrophobicContact CG-CG 4.46Å; P259-Y263 HydrophobicContact CG-CD2 4.24Å; P259-Y263 HydrophobicContact CG-CE2 4.44Å; P259-Y263 PolarHBondContact O-N 3Å; G261-Y263 VanDerWaalsContact C-N 3.33Å; G261-Y263 PolarHBondContact O-N 3.35Å; Y263-A265 VanDerWaalsContact C-N 3.27Å; Y263-A265 PolarHBondContact O-N 3.35Å; Y263-A265 VanDerWaalsContact O-N 3.16Å; Y263-L266 PolarHBondContact O-N 3.4Å; Y263-R267 WeakPolarHBondContact O-CB 3.47Å; Y263-R267 WeakPolarHBondContact O-CG 3.42Å; Y263-R267 PolarHBondContact O-N 2.9Å |
| 264 | S | 79.4 | Confident | 78.3 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -51.4 | -44.2 | -175.6 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | I260 L266 R267 N268 | I260-S264 WeakPolarHBondContact O-CA 3.24Å; I260-S264 VanDerWaalsContact O-CB 3.22Å; I260-S264 WeakPolarHBondContact O-CB 3.47Å; I260-S264 PolarHBondContact O-N 3.23Å; S264-L266 PolarHBondContact O-N 3.4Å; S264-R267 PolarHBondContact O-N 2.73Å; S264-N268 VanDerWaalsContact O-CB 3.22Å; S264-N268 WeakPolarHBondContact O-CB 3.38Å; S264-N268 PolarHBondContact O-N 3.47Å; S264-N268 PolarHBondContact O-ND2 2.95Å; S264-N268 VanDerWaalsContact O-ND2 3.08Å; S264-N268 PolarHBondContact OG-ND2 2.74Å |
| 265 | A | 79.2 | Confident | 78.8 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y263 N268 S269 | Y263-A265 VanDerWaalsContact C-N 3.27Å; Y263-A265 PolarHBondContact O-N 3.35Å; Y263-A265 VanDerWaalsContact O-N 3.16Å; A265-N268 PolarHBondContact O-N 3.12Å; A265-S269 WeakPolarHBondContact O-CB 3.36Å; A265-S269 PolarHBondContact O-N 3.36Å |
| 266 | L | 81.1 | Confident | 79.1 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 177.7 | 178.5 | 146.2 | 0 | 0 | 0 | 111 | Y263 S264 S269 A270 Q464 F466 | Y263-L266 PolarHBondContact O-N 3.4Å; S264-L266 PolarHBondContact O-N 3.4Å; L266-S269 PolarHBondContact O-N 3.43Å; L266-A270 VanDerWaalsContact O-CB 3.27Å; L266-A270 WeakPolarHBondContact O-CB 3.39Å; L266-A270 PolarHBondContact O-N 3.49Å; L266-Q464 HydrophobicContact CD1-CB 4.34Å; L266-F466 HydrophobicContact CD2-CD1 3.96Å; L266-F466 HydrophobicContact CD2-CE1 3.37Å; L266-F466 HydrophobicContact CD2-CZ 4.17Å |
| 267 | R | 82.7 | Confident | 79.4 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.038 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.3 | -63.6 | -78.7 | -74.3 | 179.4 | -8.8 | 111.9 | E254 Y263 S264 A270 N271 M468 | E254-R267 IonicContact OE1-NH2 2.69Å; E254-R267 PolarHBondContact OE1-NH2 3.43Å; E254-R267 IonicContact OE2-CZ 2.88Å; E254-R267 IonicContact OE2-NH2 3.99Å; E254-R267 PolarHBondContact OE2-NH2 3.19Å; Y263-R267 WeakPolarHBondContact O-CB 3.47Å; Y263-R267 WeakPolarHBondContact O-CG 3.42Å; Y263-R267 PolarHBondContact O-N 2.9Å; S264-R267 PolarHBondContact O-N 2.73Å; R267-A270 PolarHBondContact O-N 3.38Å; R267-N271 VanDerWaalsContact O-CB 3.31Å; R267-N271 WeakPolarHBondContact O-CB 3.27Å; R267-N271 PolarHBondContact O-N 3.42Å; R267-N271 PolarHBondContact O-ND2 3.16Å; R267-M468 PolarHBondContact NH1-SD 2.86Å; R267-M468 PolarHBondContact NH2-SD 3.45Å; R267-M468 VanDerWaalsContact NH2-SD 3.35Å |
| 268 | N | 80.1 | Confident | 79.5 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 179.1 | -69.8 | -23.9 | 0 | 0 | 0 | 111.5 | S264 A265 A270 N271 S272 | S264-N268 VanDerWaalsContact O-CB 3.22Å; S264-N268 WeakPolarHBondContact O-CB 3.38Å; S264-N268 PolarHBondContact O-N 3.47Å; S264-N268 PolarHBondContact O-ND2 2.95Å; S264-N268 VanDerWaalsContact O-ND2 3.08Å; S264-N268 PolarHBondContact OG-ND2 2.74Å; A265-N268 PolarHBondContact O-N 3.12Å; N268-A270 VanDerWaalsContact C-N 3.35Å; N268-N271 PolarHBondContact O-N 3.4Å; N268-S272 WeakPolarHBondContact O-CB 3.25Å; N268-S272 PolarHBondContact O-N 3.19Å; N268-S272 PolarHBondContact O-OG 2.99Å |
| 269 | S | 81.5 | Confident | 79.8 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | A265 L266 N271 S272 V273 | A265-S269 WeakPolarHBondContact O-CB 3.36Å; A265-S269 PolarHBondContact O-N 3.36Å; L266-S269 PolarHBondContact O-N 3.43Å; S269-N271 VanDerWaalsContact C-N 3.35Å; S269-N271 PolarHBondContact O-N 3.04Å; S269-S272 PolarHBondContact O-N 3.06Å; S269-V273 PolarHBondContact O-N 3.27Å |
| 270 | A | 78.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q173 N174 Y219 L266 R267 N268 F466 | Q173-A270 HydrophobicContact CB-CB 4.12Å; N174-A270 WeakPolarHBondContact OD1-CB 3.38Å; Y219-A270 PolarHBondContact OH-O 3.07Å; L266-A270 VanDerWaalsContact O-CB 3.27Å; L266-A270 WeakPolarHBondContact O-CB 3.39Å; L266-A270 PolarHBondContact O-N 3.49Å; R267-A270 PolarHBondContact O-N 3.38Å; N268-A270 VanDerWaalsContact C-N 3.35Å; A270-F466 HydrophobicContact CB-CE1 4.22Å; A270-F466 HydrophobicContact CB-CZ 4Å |
| 271 | N | 75.5 | Confident | 81 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -82.6 | -11.2 | 179.8 | -78.9 | -36.6 | 0 | 0 | 0 | 115.1 | Q173 Y219 R267 N268 S269 | Q173-N271 PolarHBondContact NE2-OD1 3.42Å; Q173-N271 PolarHBondContact OE1-OD1 3.29Å; Y219-N271 WeakPolarHBondContact CE1-O 3.37Å; R267-N271 VanDerWaalsContact O-CB 3.31Å; R267-N271 WeakPolarHBondContact O-CB 3.27Å; R267-N271 PolarHBondContact O-N 3.42Å; R267-N271 PolarHBondContact O-ND2 3.16Å; N268-N271 PolarHBondContact O-N 3.4Å; S269-N271 VanDerWaalsContact C-N 3.35Å; S269-N271 PolarHBondContact O-N 3.04Å |
| 272 | S | 75.2 | Confident | 81.9 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -118 | -36.6 | -174.9 | 57.7 | 0 | 0 | 0 | 0 | 114 | P214 N268 S269 | P214-S272 WeakPolarHBondContact CB-O 3.41Å; N268-S272 WeakPolarHBondContact O-CB 3.25Å; N268-S272 PolarHBondContact O-N 3.19Å; N268-S272 PolarHBondContact O-OG 2.99Å; S269-S272 PolarHBondContact O-N 3.06Å |
| 273 | V | 76.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 40.1 Ų | 40.1 | 64% | 0.642 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -36.3 | -169.8 | -176.4 | 0 | 0 | 0 | 0 | 112 | P214 S269 | P214-V273 WeakPolarHBondContact CG-O 3.46Å; S269-V273 PolarHBondContact O-N 3.27Å |
| 274 | K | 82.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -97.9 | 149.5 | -167.1 | -67.8 | 176.9 | 178.1 | -175.3 | 0 | 112.5 | N174 Y219 | N174-K274 WeakPolarHBondContact OD1-CD 3.38Å; N174-K274 PolarHBondContact OD1-NZ 3.3Å; N174-K274 VanDerWaalsContact OD1-NZ 3.12Å; Y219-K274 PolarHBondContact OH-O 3.14Å |
| 275 | N | 85.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | trans | -65.5 | 153.5 | 169.8 | -60.4 | -23.6 | 0 | 0 | 0 | 109.9 | V175 H180 L211 K212 S213 P214 | V175-N275 WeakPolarHBondContact CG2-O 3.29Å; H180-N275 PolarHBondContact CE1-ND2 3.47Å; H180-N275 PolarHBondContact ND1-ND2 2.84Å; H180-N275 VanDerWaalsContact ND1-ND2 3.18Å; L211-N275 HydrophobicContact CD1-CB 3.8Å; L211-N275 HydrophobicContact CD2-CB 4.47Å; L211-N275 HydrophobicContact CG-CB 4.13Å; K212-N275 CarbonylContact O-C 3.51Å; K212-N275 WeakPolarHBondContact O-CA 3.46Å; K212-N275 WeakPolarHBondContact O-CB 3.37Å; S213-N275 VanDerWaalsContact CA-OD1 3.25Å; S213-N275 WeakPolarHBondContact CA-OD1 3.31Å; S213-N275 WeakPolarHBondContact CB-OD1 3.45Å; P214-N275 WeakPolarHBondContact CD-OD1 3.38Å | ||
| 276 | K | 86.8 | Confident | 84.1 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.7 | 178.1 | 61.9 | -179.8 | -179.2 | -174.1 | 0 | 111.3 | I172 K212 Y219 V278 | I172-K276 WeakPolarHBondContact O-CA 3.25Å; I172-K276 WeakPolarHBondContact O-CB 3.43Å; K212-K276 PolarHBondContact N-O 3.09Å; K212-K276 PolarHBondContact O-N 3.08Å; Y219-K276 HydrophobicContact CD2-CD 4.25Å; Y219-K276 HydrophobicContact CD2-CG 4.11Å; Y219-K276 HydrophobicContact CE1-CD 4.16Å; Y219-K276 HydrophobicContact CE2-CD 3.73Å; Y219-K276 HydrophobicContact CE2-CG 3.55Å; Y219-K276 WeakPolarHBondContact O-CE 3.29Å; Y219-K276 PolarHBondContact O-NZ 3Å; K276-V278 HydrophobicContact CD-CG2 3.92Å; K276-V278 HydrophobicContact CG-CG2 3.65Å |
| 277 | V | 88.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.4 | 170.4 | 174.4 | 0 | 0 | 0 | 0 | 107.5 | S171 I172 V175 F179 F187 Y210 L211 W279 | S171-V277 CarbonylContact C-O 3.6Å; S171-V277 WeakPolarHBondContact CA-O 3.39Å; S171-V277 WeakPolarHBondContact CB-O 3.23Å; I172-V277 HydrophobicContact CB-CB 4.28Å; I172-V277 PolarHBondContact N-O 3.31Å; I172-V277 PolarHBondContact O-N 3.31Å; V175-V277 HydrophobicContact CG1-CB 4.43Å; V175-V277 HydrophobicContact CG1-CG2 3.91Å; F179-V277 HydrophobicContact CD2-CG2 4.3Å; F187-V277 HydrophobicContact CB-CG1 3.61Å; F187-V277 HydrophobicContact CD1-CG1 4.25Å; F187-V277 HydrophobicContact CD1-CG2 3.97Å; F187-V277 HydrophobicContact CD2-CB 4.46Å; F187-V277 HydrophobicContact CD2-CG1 3.72Å; F187-V277 HydrophobicContact CD2-CG2 3.84Å; F187-V277 HydrophobicContact CE1-CG2 3.93Å; F187-V277 HydrophobicContact CE2-CG1 4.48Å; F187-V277 HydrophobicContact CE2-CG2 3.79Å; F187-V277 HydrophobicContact CG-CB 4.45Å; F187-V277 HydrophobicContact CG-CG1 3.59Å; F187-V277 HydrophobicContact CG-CG2 3.93Å; F187-V277 HydrophobicContact CZ-CG2 3.84Å; Y210-V277 WeakPolarHBondContact O-CA 3.49Å; L211-V277 HydrophobicContact CD1-CG2 4.08Å; V277-W279 HydrophobicContact CB-CZ3 4.36Å; V277-W279 HydrophobicContact CG1-CE3 4.18Å; V277-W279 HydrophobicContact CG1-CH2 3.54Å; V277-W279 HydrophobicContact CG1-CZ2 4.02Å; V277-W279 HydrophobicContact CG1-CZ3 3.62Å |
| 278 | V | 86.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.6 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | Y210 K212 K276 N280 | Y210-V278 WeakPolarHBondContact CD1-O 3.3Å; Y210-V278 PolarHBondContact N-O 3.38Å; Y210-V278 PolarHBondContact O-N 3.14Å; K212-V278 HydrophobicContact CB-CG2 4.37Å; K212-V278 HydrophobicContact CD-CB 4.27Å; K212-V278 HydrophobicContact CD-CG2 3.95Å; K212-V278 HydrophobicContact CG-CG2 4.24Å; K276-V278 HydrophobicContact CD-CG2 3.92Å; K276-V278 HydrophobicContact CG-CG2 3.65Å; V278-N280 HydrophobicContact CG1-CB 4.17Å; V278-N280 VanDerWaalsContact CG1-CG 3.48Å; V278-N280 WeakPolarHBondContact CG1-OD1 3.36Å |
| 279 | W | 87.6 | Confident | 84.8 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -49.8 | 162.3 | -68 | -94.2 | 0 | 0 | 0 | 110.2 | I169 E170 I172 F187 A189 S206 G209 V277 Q281 M467 | I169-W279 HydrophobicContact CG2-CB 4.46Å; I169-W279 HydrophobicContact CG2-CD2 4.2Å; I169-W279 HydrophobicContact CG2-CE3 4.05Å; I169-W279 HydrophobicContact CG2-CG 4.42Å; E170-W279 PolarHBondContact O-N 3.03Å; I172-W279 HydrophobicContact CD1-CH2 3.63Å; I172-W279 HydrophobicContact CD1-CZ3 3.93Å; I172-W279 HydrophobicContact CG1-CH2 4.08Å; I172-W279 HydrophobicContact CG1-CZ3 3.83Å; F187-W279 HydrophobicContact CB-CH2 4.16Å; F187-W279 HydrophobicContact CB-CZ2 3.66Å; F187-W279 PolarHBondContact O-NE1 3.48Å; A189-W279 HydrophobicContact CB-CH2 4.31Å; A189-W279 HydrophobicContact CB-CZ2 3.99Å; S206-W279 PolarHBondContact O-NE1 2.81Å; G209-W279 VanDerWaalsContact CA-NE1 3.3Å; V277-W279 HydrophobicContact CB-CZ3 4.36Å; V277-W279 HydrophobicContact CG1-CE3 4.18Å; V277-W279 HydrophobicContact CG1-CH2 3.54Å; V277-W279 HydrophobicContact CG1-CZ2 4.02Å; V277-W279 HydrophobicContact CG1-CZ3 3.62Å; W279-Q281 VanDerWaalsContact C-N 3.27Å; W279-Q281 HydrophobicContact CB-CB 4.33Å; W279-Q281 HydrophobicContact CB-CG 4.14Å; W279-Q281 PolarHBondContact O-N 3.37Å; W279-M467 HydrophobicContact CE3-CE 4.33Å; W279-M467 HydrophobicContact CH2-CE 3.88Å; W279-M467 HydrophobicContact CZ3-CE 3.66Å |
| 280 | N | 87.2 | Confident | 84.9 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 52.5 | -166.9 | -70.3 | -9.1 | 0 | 0 | 0 | 111.1 | I169 E170 S221 Y224 K225 V278 | I169-N280 WeakPolarHBondContact O-CA 3.31Å; I169-N280 PolarHBondContact O-N 3.29Å; E170-N280 PolarHBondContact O-N 3.4Å; E170-N280 PolarHBondContact O-OD1 3.18Å; S221-N280 PolarHBondContact O-ND2 2.88Å; Y224-N280 CarbonylContact C-O 3.38Å; Y224-N280 VanDerWaalsContact CA-O 3.3Å; Y224-N280 WeakPolarHBondContact CA-O 3.38Å; K225-N280 PolarHBondContact N-O 3.36Å; V278-N280 HydrophobicContact CG1-CB 4.17Å; V278-N280 VanDerWaalsContact CG1-CG 3.48Å; V278-N280 WeakPolarHBondContact CG1-OD1 3.36Å |
| 281 | Q | 88.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.4 | -179.3 | -76.1 | 175.9 | 1.5 | 0 | 0 | 110.5 | N168 I169 S206 N207 K225 P227 W279 | N168-Q281 WeakPolarHBondContact CA-O 3.37Å; I169-Q281 PolarHBondContact N-O 2.69Å; I169-Q281 PolarHBondContact O-N 2.91Å; S206-Q281 VanDerWaalsContact CA-OE1 3.3Å; S206-Q281 PolarHBondContact OG-OE1 3.5Å; S206-Q281 VanDerWaalsContact OG-OE1 3.07Å; N207-Q281 PolarHBondContact O-NE2 2.86Å; N207-Q281 VanDerWaalsContact O-NE2 3.15Å; K225-Q281 HydrophobicContact CB-CG 4.44Å; K225-Q281 WeakPolarHBondContact O-CA 3.28Å; P227-Q281 HydrophobicContact CG-CB 4.29Å; W279-Q281 VanDerWaalsContact C-N 3.27Å; W279-Q281 HydrophobicContact CB-CB 4.33Å; W279-Q281 HydrophobicContact CB-CG 4.14Å; W279-Q281 PolarHBondContact O-N 3.37Å |
| 282 | Q | 88.7 | Confident | 86 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119 | 173 | 167.6 | 167.8 | 100.7 | 0 | 0 | 109.5 | N168 Y224 K225 P227 M239 R284 | N168-Q282 VanDerWaalsContact OD1-CB 3.23Å; N168-Q282 WeakPolarHBondContact OD1-CB 3.3Å; N168-Q282 WeakPolarHBondContact OD1-CG 3.46Å; N168-Q282 PolarHBondContact OD1-NE2 3.19Å; Y224-Q282 HydrophobicContact CD1-CB 4.33Å; Y224-Q282 HydrophobicContact CG-CB 4.02Å; K225-Q282 PolarHBondContact O-N 3.05Å; P227-Q282 VanDerWaalsContact CD-O 3.25Å; P227-Q282 WeakPolarHBondContact CD-O 3.4Å; P227-Q282 WeakPolarHBondContact CG-O 3.13Å; M239-Q282 HydrophobicContact CE-CB 3.98Å; M239-Q282 HydrophobicContact CE-CG 4.16Å; M239-Q282 WeakPolarHBondContact CE-O 3.44Å; M239-Q282 HydrophobicContact SD-CB 3.76Å; M239-Q282 HydrophobicContact SD-CG 4.04Å; Q282-R284 HydrophobicContact CG-CG 4.11Å; Q282-R284 VanDerWaalsContact OE1-CZ 3.31Å |
| 283 | H | 89.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.9 | 171.4 | -65.3 | -96.9 | 0 | 0 | 0 | 109.4 | Y166 V167 I204 I205 S206 P227 | Y166-H283 CarbonylContact C-O 3.54Å; Y166-H283 VanDerWaalsContact CA-O 3.3Å; Y166-H283 WeakPolarHBondContact CA-O 3.42Å; V167-H283 HydrophobicContact CB-CB 4.27Å; V167-H283 PolarHBondContact N-O 3.26Å; V167-H283 PolarHBondContact O-N 3.45Å; I204-H283 HydrophobicContact CD1-CB 4.44Å; I204-H283 HydrophobicContact CG2-CB 4.1Å; I204-H283 WeakPolarHBondContact CG2-ND1 3.23Å; I205-H283 PolarHBondContact O-CE1 3.41Å; S206-H283 PolarHBondContact OG-NE2 2.93Å; P227-H283 WeakPolarHBondContact CB-CE1 3.36Å; P227-H283 WeakPolarHBondContact CG-CE1 3.33Å; P227-H283 VanDerWaalsContact CG-ND1 3.34Å; P227-H283 WeakPolarHBondContact CG-ND1 3.03Å |
| 284 | R | 89.1 | Confident | 87.1 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | 176 | -58.2 | -177.7 | -178.3 | 165.8 | 0.4 | 108.8 | C79 S80 D111 I165 Y166 T241 Q282 | C79-R284 HydrophobicContact CB-CB 4.43Å; C79-R284 WeakPolarHBondContact O-CD 3.36Å; S80-R284 WeakPolarHBondContact CB-O 3.39Å; D111-R284 IonicContact OD2-CZ 3.12Å; D111-R284 IonicContact OD2-NH1 3.92Å; D111-R284 PolarHBondContact OD2-NH1 3.4Å; D111-R284 IonicContact OD2-NH2 2.83Å; I165-R284 WeakPolarHBondContact O-CA 3.45Å; Y166-R284 HydrophobicContact CD1-CG 3.76Å; Y166-R284 HydrophobicContact CE1-CG 4.01Å; T241-R284 PolarHBondContact OG1-NH2 3Å; Q282-R284 HydrophobicContact CG-CG 4.11Å; Q282-R284 VanDerWaalsContact OE1-CZ 3.31Å |
| 285 | R | 88.1 | Confident | 87.4 | Confident | 70 Ų | 70 | 26.1 Ų | 26.1 | 26% | 0.264 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.6 | 177.1 | -65.5 | -64.5 | 180 | -167.6 | -7.1 | 111.2 | D76 I164 I165 L193 T195 I204 | D76-R285 WeakPolarHBondContact OD1-CA 3.26Å; D76-R285 IonicContact OD2-CZ 3.63Å; D76-R285 IonicContact OD2-NH1 3.82Å; D76-R285 PolarHBondContact OD2-NH1 3.4Å; I164-R285 WeakPolarHBondContact CA-O 3.22Å; I165-R285 HydrophobicContact CG2-CB 3.78Å; I165-R285 PolarHBondContact N-O 2.93Å; I165-R285 PolarHBondContact O-N 3.49Å; L193-R285 HydrophobicContact CD2-CB 3.99Å; L193-R285 HydrophobicContact CD2-CG 3.95Å; T195-R285 HydrophobicContact CG2-CB 3.9Å; T195-R285 HydrophobicContact CG2-CG 4.06Å; I204-R285 HydrophobicContact CD1-CG 4.28Å |
| 286 | L | 87.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.7 | 172.9 | -167.7 | 66.3 | 0 | 0 | 0 | 109.7 | F72 V75 D76 L162 I164 | F72-L286 HydrophobicContact CD2-CD2 4.06Å; F72-L286 HydrophobicContact CE1-CB 4.26Å; F72-L286 HydrophobicContact CE2-CB 4.33Å; F72-L286 HydrophobicContact CE2-CD2 3.39Å; F72-L286 HydrophobicContact CE2-CG 3.72Å; F72-L286 HydrophobicContact CZ-CB 3.73Å; F72-L286 HydrophobicContact CZ-CD2 3.68Å; F72-L286 HydrophobicContact CZ-CG 3.56Å; F72-L286 WeakPolarHBondContact CZ-O 3.47Å; V75-L286 HydrophobicContact CB-CD2 4.42Å; V75-L286 HydrophobicContact CG1-CD2 3.96Å; D76-L286 HydrophobicContact CB-CB 4.37Å; D76-L286 PolarHBondContact OD1-N 3.45Å; L162-L286 HydrophobicContact CB-CD1 4.27Å; L162-L286 HydrophobicContact CD1-CD1 4.45Å; L162-L286 HydrophobicContact CD1-CD2 4.42Å; L162-L286 HydrophobicContact CD2-CD1 4.45Å; L162-L286 HydrophobicContact CD2-CD2 4.39Å; L162-L286 HydrophobicContact CD2-CG 4.3Å; I164-L286 HydrophobicContact CG1-CD1 3.88Å |
| 287 | L | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.6 | 177.9 | -60.1 | -179.6 | 0 | 0 | 0 | 110 | N163 I165 T195 Q292 L295 L473 | N163-L287 PolarHBondContact N-O 3.32Å; N163-L287 VanDerWaalsContact N-O 3.09Å; N163-L287 PolarHBondContact O-N 3.31Å; I165-L287 HydrophobicContact CB-CD1 3.82Å; I165-L287 HydrophobicContact CB-CG 4.31Å; I165-L287 HydrophobicContact CG2-CD1 3.82Å; I165-L287 HydrophobicContact CG2-CD2 4.08Å; I165-L287 HydrophobicContact CG2-CG 3.87Å; T195-L287 HydrophobicContact CG2-CD2 4.36Å; L287-Q292 HydrophobicContact CB-CG 3.77Å; L287-Q292 HydrophobicContact CD1-CG 4.4Å; L287-Q292 PolarHBondContact O-NE2 3.43Å; L287-Q292 VanDerWaalsContact O-NE2 3.16Å; L287-L295 HydrophobicContact CD1-CD2 3.95Å; L287-L473 HydrophobicContact CD1-CD2 4.1Å |
| 288 | D | 84.3 | Confident | 87.4 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | trans | -72.2 | 164 | 168.7 | 80.2 | -46 | 0 | 0 | 0 | 111.3 | F72 L162 S290 S291 Q292 | F72-D288 HydrophobicContact CE2-CB 4.09Å; F72-D288 HydrophobicContact CZ-CB 4.25Å; L162-D288 HydrophobicContact CD2-CB 4.41Å; D288-S290 PolarHBondContact O-N 3.04Å; D288-S290 VanDerWaalsContact O-N 3.15Å; D288-S290 WeakPolarHBondContact OD2-CB 3.42Å; D288-S290 PolarHBondContact OD2-N 2.97Å; D288-S290 PolarHBondContact OD2-OG 3.27Å; D288-S291 PolarHBondContact O-N 2.82Å; D288-S291 VanDerWaalsContact O-N 3.08Å; D288-S291 WeakPolarHBondContact OD1-CA 3.44Å; D288-S291 WeakPolarHBondContact OD1-CB 3.5Å; D288-S291 PolarHBondContact OD1-N 3.2Å; D288-S291 PolarHBondContact OD1-OG 3.08Å; D288-Q292 WeakPolarHBondContact O-CG 3.48Å; D288-Q292 PolarHBondContact O-N 2.86Å | ||
| 289 | K | 85.5 | Confident | 87.5 | Confident | 114 Ų | 114 | 34.2 Ų | 34.2 | 50% | 0.496 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -54.3 | -36.2 | 179.4 | -171.8 | 174.1 | -177.3 | 175.5 | 0 | 112.5 | L293 | K289-L293 WeakPolarHBondContact O-CG 3.18Å; K289-L293 PolarHBondContact O-N 3.06Å; K289-L293 VanDerWaalsContact O-N 3.12Å |
| 290 | S | 85.5 | Confident | 87.5 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -45 | 178 | -30 | 0 | 0 | 0 | 0 | 111.5 | D288 Q292 L293 K294 | D288-S290 PolarHBondContact O-N 3.04Å; D288-S290 VanDerWaalsContact O-N 3.15Å; D288-S290 WeakPolarHBondContact OD2-CB 3.42Å; D288-S290 PolarHBondContact OD2-N 2.97Å; D288-S290 PolarHBondContact OD2-OG 3.27Å; S290-Q292 VanDerWaalsContact C-N 3.34Å; S290-L293 PolarHBondContact O-N 3.18Å; S290-K294 WeakPolarHBondContact O-CG 3.43Å; S290-K294 PolarHBondContact O-N 3.2Å |
| 291 | S | 85.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -35.2 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | T195 S196 D288 K294 L295 | T195-S291 VanDerWaalsContact C-OG 3.31Å; T195-S291 PolarHBondContact O-OG 2.97Å; S196-S291 PolarHBondContact N-OG 3.34Å; D288-S291 PolarHBondContact O-N 2.82Å; D288-S291 VanDerWaalsContact O-N 3.08Å; D288-S291 WeakPolarHBondContact OD1-CA 3.44Å; D288-S291 WeakPolarHBondContact OD1-CB 3.5Å; D288-S291 PolarHBondContact OD1-N 3.2Å; D288-S291 PolarHBondContact OD1-OG 3.08Å; S291-K294 PolarHBondContact O-N 2.82Å; S291-L295 VanDerWaalsContact O-CB 3.26Å; S291-L295 WeakPolarHBondContact O-CB 3.47Å; S291-L295 PolarHBondContact O-N 3.22Å |
| 292 | Q | 89.5 | Confident | 87.1 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 173.6 | -70.3 | 176.5 | 65.8 | 0 | 0 | 112.2 | Q161 N163 L287 D288 S290 L295 K296 | Q161-Q292 PolarHBondContact O-NE2 2.87Å; N163-Q292 VanDerWaalsContact CB-CD 3.46Å; N163-Q292 HydrophobicContact CB-CG 4.2Å; L287-Q292 HydrophobicContact CB-CG 3.77Å; L287-Q292 HydrophobicContact CD1-CG 4.4Å; L287-Q292 PolarHBondContact O-NE2 3.43Å; L287-Q292 VanDerWaalsContact O-NE2 3.16Å; D288-Q292 WeakPolarHBondContact O-CG 3.48Å; D288-Q292 PolarHBondContact O-N 2.86Å; S290-Q292 VanDerWaalsContact C-N 3.34Å; Q292-L295 PolarHBondContact O-N 2.94Å; Q292-K296 WeakPolarHBondContact O-CG 3.39Å; Q292-K296 PolarHBondContact O-N 2.7Å |
| 293 | L | 89.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 47 Ų | 47 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 175.5 | -71.8 | 171.6 | 0 | 0 | 0 | 111.8 | K289 S290 L295 K296 E297 | K289-L293 WeakPolarHBondContact O-CG 3.18Å; K289-L293 PolarHBondContact O-N 3.06Å; K289-L293 VanDerWaalsContact O-N 3.12Å; S290-L293 PolarHBondContact O-N 3.18Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.41Å; L293-K296 WeakPolarHBondContact O-CB 3.33Å; L293-K296 PolarHBondContact O-N 3.26Å; L293-K296 VanDerWaalsContact O-N 3.16Å; L293-E297 WeakPolarHBondContact O-CG 3.34Å; L293-E297 PolarHBondContact O-N 2.84Å |
| 294 | K | 86.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 19% | 0.191 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.4 | -69.4 | 176 | -173.5 | 179.9 | 0 | 112.4 | I194 S197 N199 S290 S291 E297 K298 | I194-K294 HydrophobicContact CD1-CB 4.46Å; I194-K294 HydrophobicContact CG2-CD 4.2Å; S197-K294 PolarHBondContact O-NZ 3.33Å; N199-K294 VanDerWaalsContact OD1-CE 3.3Å; N199-K294 WeakPolarHBondContact OD1-CE 3.25Å; N199-K294 PolarHBondContact OD1-NZ 2.63Å; S290-K294 WeakPolarHBondContact O-CG 3.43Å; S290-K294 PolarHBondContact O-N 3.2Å; S291-K294 PolarHBondContact O-N 2.82Å; K294-E297 PolarHBondContact O-N 3.39Å; K294-K298 VanDerWaalsContact O-CB 3.29Å; K294-K298 WeakPolarHBondContact O-CB 3.36Å; K294-K298 PolarHBondContact O-N 3.41Å |
| 295 | L | 88.2 | Confident | 86.7 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 174.6 | -179 | 62.2 | 0 | 0 | 0 | 110.3 | I165 L193 L287 S291 Q292 L293 K298 I299 L477 | I165-L295 HydrophobicContact CD1-CD2 4.4Å; L193-L295 HydrophobicContact CD1-CD1 4.44Å; L287-L295 HydrophobicContact CD1-CD2 3.95Å; S291-L295 VanDerWaalsContact O-CB 3.26Å; S291-L295 WeakPolarHBondContact O-CB 3.47Å; S291-L295 PolarHBondContact O-N 3.22Å; Q292-L295 PolarHBondContact O-N 2.94Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.41Å; L295-K298 PolarHBondContact O-N 3.47Å; L295-I299 HydrophobicContact CD1-CD1 3.97Å; L295-I299 HydrophobicContact CD1-CG1 4.27Å; L295-I299 HydrophobicContact CG-CD1 3.88Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.34Å; L295-I299 PolarHBondContact O-N 3.08Å; L295-L477 HydrophobicContact CD2-CD1 4.48Å |
| 296 | K | 89.2 | Confident | 86.9 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 174.7 | -73.1 | 174.4 | 172.6 | -177.3 | 0 | 112.5 | Q292 L293 K298 I299 S300 L342 L477 | Q292-K296 WeakPolarHBondContact O-CG 3.39Å; Q292-K296 PolarHBondContact O-N 2.7Å; L293-K296 WeakPolarHBondContact O-CB 3.33Å; L293-K296 PolarHBondContact O-N 3.26Å; L293-K296 VanDerWaalsContact O-N 3.16Å; K296-K298 VanDerWaalsContact C-N 3.32Å; K296-K298 PolarHBondContact O-N 3.16Å; K296-I299 PolarHBondContact O-N 3.38Å; K296-S300 WeakPolarHBondContact O-CB 3.44Å; K296-S300 PolarHBondContact O-N 2.86Å; K296-S300 PolarHBondContact O-OG 3.2Å; K296-L342 HydrophobicContact CB-CD2 4.09Å; K296-L342 HydrophobicContact CG-CD2 3.83Å; K296-L477 WeakPolarHBondContact CE-O 3.22Å; K296-L477 HydrophobicContact CG-CB 4.38Å; K296-L477 HydrophobicContact CG-CD1 4.05Å; K296-L477 PolarHBondContact NZ-O 3.38Å |
| 297 | E | 88 | Confident | 87.2 | Confident | 129 Ų | 129 | 47.3 Ų | 47.3 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.5 | -44 | 178.3 | -72.7 | 169.6 | -176.9 | 0 | 0 | 111.2 | L293 K294 S300 A301 | L293-E297 WeakPolarHBondContact O-CG 3.34Å; L293-E297 PolarHBondContact O-N 2.84Å; K294-E297 PolarHBondContact O-N 3.39Å; E297-S300 PolarHBondContact O-N 2.85Å; E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.35Å; E297-A301 PolarHBondContact O-N 3.34Å |
| 298 | K | 85.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 179.1 | -171 | 174.1 | -179.7 | 178.2 | 0 | 112.4 | I194 E201 K294 L295 K296 S300 A301 Y302 | I194-K298 HydrophobicContact CD1-CD 4.02Å; E201-K298 IonicContact OE1-NZ 2.69Å; E201-K298 PolarHBondContact OE1-NZ 3.02Å; K294-K298 VanDerWaalsContact O-CB 3.29Å; K294-K298 WeakPolarHBondContact O-CB 3.36Å; K294-K298 PolarHBondContact O-N 3.41Å; L295-K298 PolarHBondContact O-N 3.47Å; K296-K298 VanDerWaalsContact C-N 3.32Å; K296-K298 PolarHBondContact O-N 3.16Å; K298-S300 VanDerWaalsContact C-N 3.34Å; K298-A301 PolarHBondContact O-N 2.97Å; K298-Y302 HydrophobicContact CG-CD2 3.73Å; K298-Y302 HydrophobicContact CG-CE2 3.96Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.42Å; K298-Y302 PolarHBondContact O-N 3.15Å; K298-Y302 VanDerWaalsContact O-N 3.15Å |
| 299 | I | 88.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.7 | -65.2 | 167.2 | 0 | 0 | 0 | 110 | L295 K296 A301 R303 L338 L342 L477 | L295-I299 HydrophobicContact CD1-CD1 3.97Å; L295-I299 HydrophobicContact CD1-CG1 4.27Å; L295-I299 HydrophobicContact CG-CD1 3.88Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.34Å; L295-I299 PolarHBondContact O-N 3.08Å; K296-I299 PolarHBondContact O-N 3.38Å; I299-A301 VanDerWaalsContact C-N 3.34Å; I299-A301 PolarHBondContact O-N 2.74Å; I299-R303 VanDerWaalsContact O-CA 3.25Å; I299-R303 WeakPolarHBondContact O-CA 3.46Å; I299-R303 PolarHBondContact O-N 3.3Å; I299-L338 HydrophobicContact CD1-CB 4.02Å; I299-L338 HydrophobicContact CD1-CD1 4.43Å; I299-L338 HydrophobicContact CG1-CB 3.99Å; I299-L338 HydrophobicContact CG1-CD1 4.47Å; I299-L338 VanDerWaalsContact CG2-C 3.5Å; I299-L338 HydrophobicContact CG2-CB 4.05Å; I299-L338 WeakPolarHBondContact CG2-O 3.47Å; I299-L342 HydrophobicContact CB-CD1 4.07Å; I299-L342 HydrophobicContact CB-CG 4.38Å; I299-L342 HydrophobicContact CG2-CD1 3.62Å; I299-L342 HydrophobicContact CG2-CG 3.86Å; I299-L477 HydrophobicContact CD1-CD1 4.36Å |
| 300 | S | 87.4 | Confident | 88.1 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 40% | 0.399 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 179.8 | -53 | 0 | 0 | 0 | 0 | 112.1 | K296 E297 K298 L342 | K296-S300 WeakPolarHBondContact O-CB 3.44Å; K296-S300 PolarHBondContact O-N 2.86Å; K296-S300 PolarHBondContact O-OG 3.2Å; E297-S300 PolarHBondContact O-N 2.85Å; K298-S300 VanDerWaalsContact C-N 3.34Å; S300-L342 VanDerWaalsContact OG-CD1 3.24Å; S300-L342 WeakPolarHBondContact OG-CD1 3.25Å |
| 301 | A | 85.3 | Confident | 88.1 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -74.6 | -36.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | E297 K298 I299 | E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.35Å; E297-A301 PolarHBondContact O-N 3.34Å; K298-A301 PolarHBondContact O-N 2.97Å; I299-A301 VanDerWaalsContact C-N 3.34Å; I299-A301 PolarHBondContact O-N 2.74Å |
| 302 | Y | 80.9 | Confident | 88.1 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -118.7 | -14.7 | -168.4 | -49.1 | -56.1 | 0 | 0 | 0 | 114.6 | K298 F304 K368 | K298-Y302 HydrophobicContact CG-CD2 3.73Å; K298-Y302 HydrophobicContact CG-CE2 3.96Å; K298-Y302 VanDerWaalsContact O-CD2 3.24Å; K298-Y302 WeakPolarHBondContact O-CD2 3.42Å; K298-Y302 PolarHBondContact O-N 3.15Å; K298-Y302 VanDerWaalsContact O-N 3.15Å; Y302-F304 PolarHBondContact O-N 3.22Å; Y302-K368 HydrophobicContact CD1-CB 4.12Å; Y302-K368 HydrophobicContact CD1-CG 3.8Å; Y302-K368 HydrophobicContact CE1-CB 3.73Å; Y302-K368 HydrophobicContact CE1-CG 3.63Å |
| 303 | R | 83.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 43.3 Ų | 43.3 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 59 | -40 | -173.6 | -63.5 | -168.6 | 162.8 | 98.8 | -8.4 | 115.7 | I299 N337 L338 D758 | I299-R303 VanDerWaalsContact O-CA 3.25Å; I299-R303 WeakPolarHBondContact O-CA 3.46Å; I299-R303 PolarHBondContact O-N 3.3Å; R303-N337 WeakPolarHBondContact O-CA 3.45Å; R303-N337 PolarHBondContact O-OD1 3.47Å; R303-L338 PolarHBondContact O-N 3.32Å; R303-D758 IonicContact CZ-OD2 2.73Å; R303-D758 IonicContact NE-OD2 3.05Å; R303-D758 PolarHBondContact NE-OD2 2.76Å; R303-D758 IonicContact NH2-OD2 2.95Å; R303-D758 PolarHBondContact NH2-OD2 3.4Å |
| 304 | F | 86.6 | Confident | 85.8 | Confident | 84 Ų | 84 | 41.5 Ų | 41.5 | 37% | 0.368 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.9 | -173.8 | -57.4 | -77.9 | 0 | 0 | 0 | 113.1 | Y302 V336 N337 | Y302-F304 PolarHBondContact O-N 3.22Å; F304-V336 CarbonylContact C-O 3.5Å; F304-V336 VanDerWaalsContact CA-O 3.3Å; F304-V336 WeakPolarHBondContact CA-O 3.47Å; F304-N337 HydrophobicContact CD1-CB 4.03Å; F304-N337 HydrophobicContact CE1-CB 3.89Å |
| 305 | L | 89.5 | Confident | 83.6 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.7 | 168.1 | -172.9 | 73.4 | 0 | 0 | 0 | 109.6 | L191 P192 V336 L338 F471 | L191-L305 HydrophobicContact CD1-CD2 4.22Å; P192-L305 HydrophobicContact CG-CD1 4.02Å; L305-V336 PolarHBondContact N-O 3.34Å; L305-V336 PolarHBondContact O-N 3.1Å; L305-L338 HydrophobicContact CB-CD1 3.71Å; L305-L338 HydrophobicContact CB-CG 4.13Å; L305-L338 HydrophobicContact CD2-CD1 3.65Å; L305-L338 HydrophobicContact CG-CD1 4.23Å; L305-F471 HydrophobicContact CD2-CE1 3.82Å; L305-F471 HydrophobicContact CD2-CZ 4.03Å |
| 306 | P | 92.1 | Very high | 81.1 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.8 | 177.7 | 30.4 | -33.6 | 0 | 0 | 0 | 111.6 | P192 V333 Y363 T367 | P192-P306 WeakPolarHBondContact CD-O 3.26Å; P192-P306 HydrophobicContact CG-CG 4.31Å; P306-V333 HydrophobicContact CB-CG1 3.88Å; P306-Y363 HydrophobicContact CB-CD2 4.39Å; P306-Y363 HydrophobicContact CB-CE2 3.62Å; P306-Y363 HydrophobicContact CG-CE2 4.04Å; P306-T367 HydrophobicContact CB-CG2 3.86Å; P306-T367 HydrophobicContact CG-CG2 3.71Å |
| 307 | V | 92.9 | Very high | 78.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 108.5 | 167.2 | -176.1 | 0 | 0 | 0 | 0 | 108 | A190 L191 V333 A334 V336 M467 L469 F471 | A190-V307 CarbonylContact O-C 3.55Å; L191-V307 HydrophobicContact CB-CB 4.47Å; L191-V307 HydrophobicContact CB-CG1 4.46Å; L191-V307 HydrophobicContact CB-CG2 3.97Å; L191-V307 HydrophobicContact CD2-CG1 4.34Å; L191-V307 HydrophobicContact CD2-CG2 4.06Å; V307-V333 WeakPolarHBondContact O-CA 3.26Å; V307-A334 HydrophobicContact CB-CB 4.43Å; V307-A334 PolarHBondContact N-O 2.71Å; V307-A334 PolarHBondContact O-N 3.22Å; V307-V336 HydrophobicContact CG2-CG2 3.85Å; V307-M467 HydrophobicContact CG1-SD 3.95Å; V307-L469 HydrophobicContact CB-CD1 4.16Å; V307-L469 HydrophobicContact CG1-CD1 4.26Å; V307-L469 HydrophobicContact CG2-CD1 3.77Å; V307-F471 HydrophobicContact CG2-CZ 4.5Å |
| 308 | E | 93.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.9 | -178.2 | -60.5 | -173.1 | -146.9 | 0 | 0 | 110.3 | A189 A190 H331 G332 V333 Y363 S372 L373 | A189-E308 CarbonylContact C-O 3.59Å; A189-E308 VanDerWaalsContact CA-O 3.32Å; A189-E308 WeakPolarHBondContact CA-O 3.3Å; A190-E308 PolarHBondContact N-O 3.26Å; A190-E308 PolarHBondContact O-N 3.26Å; E308-H331 IonicContact OE2-CE1 2.62Å; E308-H331 IonicContact OE2-NE2 3.42Å; E308-H331 PolarHBondContact OE2-NE2 3.1Å; E308-G332 WeakPolarHBondContact CA-O 3.45Å; E308-V333 HydrophobicContact CG-CG2 4.28Å; E308-Y363 HydrophobicContact CG-CE2 4.33Å; E308-Y363 PolarHBondContact OE1-OH 3.18Å; E308-S372 PolarHBondContact OE2-OG 3.48Å; E308-L373 VanDerWaalsContact OE1-CD1 3.25Å; E308-L373 WeakPolarHBondContact OE1-CD1 3.45Å; E308-L373 PolarHBondContact OE1-N 3.02Å |
| 309 | V | 92.5 | Very high | 73.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.8 | 178.2 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | I172 V188 A189 H331 G332 I355 Y460 M467 | I172-V309 HydrophobicContact CD1-CB 4.22Å; I172-V309 HydrophobicContact CD1-CG1 4.04Å; I172-V309 HydrophobicContact CD1-CG2 4.5Å; V188-V309 WeakPolarHBondContact O-CA 3.48Å; A189-V309 HydrophobicContact CB-CG1 4.17Å; V309-H331 CarbonylContact O-C 3.58Å; V309-H331 WeakPolarHBondContact O-CA 3.04Å; V309-G332 PolarHBondContact N-O 3.28Å; V309-G332 PolarHBondContact O-N 3.34Å; V309-I355 HydrophobicContact CG2-CD1 4.39Å; V309-I355 HydrophobicContact CG2-CG2 3.83Å; V309-Y460 HydrophobicContact CG2-CE2 4.4Å; V309-M467 HydrophobicContact CG1-CE 3.48Å; V309-M467 VanDerWaalsContact CG1-CE 3.48Å; V309-M467 HydrophobicContact CG1-SD 3.89Å |
| 310 | F | 90.3 | Very high | 70.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 164.5 | 177.7 | 59 | -87.2 | 0 | 0 | 0 | 111.4 | V188 I312 H331 I374 V377 L378 | V188-F310 HydrophobicContact CB-CD2 4.29Å; V188-F310 HydrophobicContact CB-CE1 4.21Å; V188-F310 HydrophobicContact CB-CE2 3.89Å; V188-F310 HydrophobicContact CB-CZ 3.85Å; V188-F310 HydrophobicContact CG1-CE1 3.98Å; V188-F310 HydrophobicContact CG1-CE2 4.17Å; V188-F310 HydrophobicContact CG1-CZ 3.64Å; V188-F310 HydrophobicContact CG2-CE2 4.22Å; V188-F310 PolarHBondContact N-O 2.87Å; V188-F310 PolarHBondContact O-N 3.35Å; F310-I312 HydrophobicContact CD2-CG1 4.13Å; F310-I312 HydrophobicContact CE2-CD1 4.06Å; F310-I312 HydrophobicContact CE2-CG1 3.88Å; F310-H331 HydrophobicContact CB-CB 4.46Å; F310-I374 HydrophobicContact CB-CD1 4.24Å; F310-I374 HydrophobicContact CD1-CD1 3.78Å; F310-I374 HydrophobicContact CD1-CG1 4.11Å; F310-I374 HydrophobicContact CD2-CD1 3.96Å; F310-I374 HydrophobicContact CD2-CG1 4.36Å; F310-I374 HydrophobicContact CE1-CD1 4.06Å; F310-I374 HydrophobicContact CE1-CG1 3.85Å; F310-I374 HydrophobicContact CE2-CD1 4.21Å; F310-I374 HydrophobicContact CE2-CG1 4.09Å; F310-I374 HydrophobicContact CG-CD1 3.73Å; F310-I374 HydrophobicContact CG-CG1 4.36Å; F310-I374 HydrophobicContact CZ-CD1 4.25Å; F310-I374 HydrophobicContact CZ-CG1 3.82Å; F310-V377 HydrophobicContact CE1-CG1 4.26Å; F310-V377 HydrophobicContact CZ-CB 4.21Å; F310-V377 HydrophobicContact CZ-CG1 3.67Å; F310-L378 HydrophobicContact CE2-CD2 4.06Å |
| 311 | C | 87.3 | Confident | 68.4 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | -178.4 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | F179 Y185 F187 Y328 T329 | F179-C311 VanDerWaalsContact CZ-SG 3.53Å; Y185-C311 HydrophobicContact CD1-CB 3.75Å; Y185-C311 HydrophobicContact CE1-CB 4.42Å; Y185-C311 HydrophobicContact CG-CB 4.46Å; F187-C311 HydrophobicContact CD1-CB 4.45Å; F187-C311 WeakPolarHBondContact CD1-SG 3.34Å; F187-C311 WeakPolarHBondContact CE1-SG 3.45Å; C311-Y328 CarbonylContact O-C 3.58Å; C311-Y328 VanDerWaalsContact O-CA 3.25Å; C311-Y328 WeakPolarHBondContact O-CA 3.43Å; C311-T329 PolarHBondContact N-O 3.4Å; C311-T329 PolarHBondContact O-N 2.88Å; C311-T329 PolarHBondContact O-OG1 2.91Å |
| 312 | I | 83.8 | Confident | 66.4 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 10% | 0.103 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.4 | 170.1 | -56.4 | 173.6 | 0 | 0 | 0 | 107.7 | N186 V188 F310 G314 L378 V381 | N186-I312 HydrophobicContact CB-CB 4.45Å; N186-I312 PolarHBondContact N-O 3.32Å; N186-I312 PolarHBondContact O-N 3.46Å; V188-I312 HydrophobicContact CG2-CD1 3.85Å; V188-I312 HydrophobicContact CG2-CG1 4.26Å; F310-I312 HydrophobicContact CD2-CG1 4.13Å; F310-I312 HydrophobicContact CE2-CD1 4.06Å; F310-I312 HydrophobicContact CE2-CG1 3.88Å; I312-G314 PolarHBondContact O-N 3.4Å; I312-L378 HydrophobicContact CD1-CD2 3.94Å; I312-L378 HydrophobicContact CG1-CD2 4.25Å; I312-V381 HydrophobicContact CD1-CG1 4.01Å |
| 313 | Q | 72.7 | Confident | 64.7 | Low | 89 Ų | 89 | 81.8 Ų | 81.8 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.3 | 176.8 | -76 | 179.5 | -14.7 | 0 | 0 | 110.1 | Y185 S315 T329 | Y185-Q313 HydrophobicContact CD1-CG 3.96Å; Y185-Q313 HydrophobicContact CE1-CG 3.54Å; Y185-Q313 PolarHBondContact OH-NE2 3Å; Q313-S315 PolarHBondContact O-N 2.84Å; Q313-T329 HydrophobicContact CG-CG2 4.44Å |
| 314 | G | 59.2 | Low | 62.8 | Low | 51 Ų | 51 | 83.4 Ų | 83.4 | 53% | 0.526 | 45% | 0.445 | S | S | . | . | trans | -73.6 | 110.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | H184 I312 S316 | H184-G314 PolarHBondContact O-N 3.24Å; I312-G314 PolarHBondContact O-N 3.4Å; G314-S316 PolarHBondContact O-N 2.9Å | ||
| 315 | S | 38.6 | Very low | 61.3 | Low | 99 Ų | 99 | 86.4 Ų | 86.4 | 69% | 0.692 | 46% | 0.46 | S | S | * | . | trans | -59.7 | 107.1 | 170.2 | 66.5 | 0 | 0 | 0 | 0 | 108.9 | Q313 S317 | Q313-S315 PolarHBondContact O-N 2.84Å; S315-S317 PolarHBondContact O-N 2.9Å | ||
| 316 | S | 36.3 | Very low | 60 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 74% | 0.741 | 47% | 0.473 | S | S | * | . | trans | -55.7 | 110.7 | 173 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | G314 G318 | G314-S316 PolarHBondContact O-N 2.9Å; S316-G318 PolarHBondContact O-N 3.47Å | ||
| 317 | S | 33.5 | Very low | 59.2 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 85% | 0.853 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 37.1 | 76 | 156.2 | 62.4 | 0 | 0 | 0 | 0 | 116.7 | S315 | S315-S317 PolarHBondContact O-N 2.9Š|
| 318 | G | 33.9 | Very low | 58.6 | Low | 59 Ų | 59 | 97.5 Ų | 97.5 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -179.2 | 97.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S316 | S316-G318 PolarHBondContact O-N 3.47Š|
| 319 | R | 33.2 | Very low | 58.2 | Low | 246 Ų | 246 | 98 Ų | 98 | 93% | 0.928 | 52% | 0.523 | S | S | * | . | trans | 51.9 | 84.1 | 160.6 | -65.8 | 177 | 173 | 171 | -2.1 | 115.5 | K321 | R319-K321 PolarHBondContact O-N 3.15Š| ||
| 320 | K | 35.1 | Very low | 57.9 | Low | 200 Ų | 200 | 98.3 Ų | 98.3 | 87% | 0.87 | 52% | 0.524 | S | S | * | . | trans | -57.9 | 103.5 | 162.3 | -75.9 | -173.7 | 174.1 | -175.7 | 0 | 110 | ||||
| 321 | K | 36.4 | Very low | 57.9 | Low | 167 Ų | 167 | 98.5 Ų | 98.5 | 73% | 0.726 | 53% | 0.525 | S | S | * | . | trans | -68.7 | 142.5 | 148.3 | -86 | -179.6 | 175.1 | 177.8 | 0 | 106.9 | R319 D323 | R319-K321 PolarHBondContact O-N 3.15Å; K321-D323 VanDerWaalsContact C-N 3.26Å; K321-D323 PolarHBondContact O-N 3.37Å | ||
| 322 | K | 44 | Very low | 58.1 | Low | 206 Ų | 206 | 98.5 Ų | 98.5 | 90% | 0.896 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.5 | -160.8 | -143.8 | -179.6 | 178 | -174.2 | 0 | 114.5 | ||
| 323 | D | 44.4 | Very low | 58.5 | Low | 152 Ų | 152 | 97.6 Ų | 97.6 | 81% | 0.813 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | 6.9 | -171 | -70.4 | -35.7 | 0 | 0 | 0 | 114.5 | K321 E325 | K321-D323 VanDerWaalsContact C-N 3.26Å; K321-D323 PolarHBondContact O-N 3.37Å; D323-E325 PolarHBondContact O-N 3.43Å |
| 324 | D | 43.7 | Very low | 59.5 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 70% | 0.695 | 50% | 0.5 | S | S | * | . | trans | -80.8 | 110.5 | 176.7 | -64.2 | -32.7 | 0 | 0 | 0 | 109.2 | ||||
| 325 | E | 54.6 | Low | 61.1 | Low | 146 Ų | 146 | 91.4 Ų | 91.4 | 68% | 0.682 | 48% | 0.477 | S | S | * | . | trans | -58.4 | 141.2 | 171.6 | -74.2 | -144.9 | 165.8 | 0 | 0 | 110.4 | D323 T327 | D323-E325 PolarHBondContact O-N 3.43Å; E325-T327 PolarHBondContact O-N 3.43Å | ||
| 326 | P | 61.6 | Low | 63.6 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | trans | -59 | 115.6 | 179.3 | 24 | -33 | 0 | 0 | 0 | 110.6 | L378 | P326-L378 HydrophobicContact CB-CD2 4.32Å; P326-L378 HydrophobicContact CG-CB 4.25Å; P326-L378 HydrophobicContact CG-CD2 4Å | ||
| 327 | T | 76.1 | Confident | 66.2 | Low | 96 Ų | 96 | 84.2 Ų | 84.2 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | trans | -71.9 | 130.1 | 176.2 | -43.7 | 0 | 0 | 0 | 0 | 110.1 | E325 | E325-T327 PolarHBondContact O-N 3.43Š| ||
| 328 | Y | 81.3 | Confident | 68.9 | Low | 100 Ų | 100 | 78.7 Ų | 78.7 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 155.5 | 173.6 | 68.6 | -88.6 | 0 | 0 | 0 | 110.5 | C311 H331 I374 L378 | C311-Y328 CarbonylContact O-C 3.58Å; C311-Y328 VanDerWaalsContact O-CA 3.25Å; C311-Y328 WeakPolarHBondContact O-CA 3.43Å; Y328-H331 HydrophobicContact CD2-CB 4.38Å; Y328-H331 HydrophobicContact CE2-CB 4.18Å; Y328-I374 HydrophobicContact CD1-CD1 3.92Å; Y328-I374 HydrophobicContact CD1-CG1 4.47Å; Y328-I374 HydrophobicContact CD2-CD1 3.4Å; Y328-I374 HydrophobicContact CE1-CD1 4.02Å; Y328-I374 HydrophobicContact CE2-CD1 3.52Å; Y328-I374 HydrophobicContact CG-CD1 3.6Å; Y328-L378 HydrophobicContact CD1-CD1 3.88Å; Y328-L378 HydrophobicContact CE1-CD1 4.35Å |
| 329 | T | 84.6 | Confident | 71.6 | Confident | 11 Ų | 11 | 76 Ų | 76 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164.8 | -179 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | C311 Q313 H331 E456 | C311-T329 PolarHBondContact N-O 3.4Å; C311-T329 PolarHBondContact O-N 2.88Å; C311-T329 PolarHBondContact O-OG1 2.91Å; Q313-T329 HydrophobicContact CG-CG2 4.44Å; T329-H331 PolarHBondContact O-N 3.05Å; T329-E456 WeakPolarHBondContact CA-OE2 3.39Å; T329-E456 WeakPolarHBondContact CB-OE2 3.4Å |
| 330 | H | 85.7 | Confident | 74.3 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.032 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.4 | 55.9 | 175.9 | -52.7 | 82.6 | 0 | 0 | 0 | 113.7 | T178 F179 G332 E456 Y460 | T178-H330 PolarHBondContact OG1-NE2 3.01Å; F179-H330 HydrophobicContact CE1-CB 4.15Å; F179-H330 AromaticContact CE1-CD2 3.58Å; F179-H330 AromaticContact CE1-CE1 3.98Å; F179-H330 AromaticContact CE1-CG 3.61Å; F179-H330 AromaticContact CE1-ND1 3.85Å; F179-H330 AromaticContact CE1-NE2 3.82Å; F179-H330 HydrophobicContact CZ-CB 4.08Å; H330-G332 PolarHBondContact O-N 2.68Å; H330-E456 PolarHBondContact N-OE2 3.38Å; H330-E456 VanDerWaalsContact N-OE2 3.12Å; H330-E456 IonicContact ND1-OE2 3.84Å; H330-Y460 HydrophobicContact CB-CE2 4.09Å; H330-Y460 WeakPolarHBondContact O-CE2 3.34Å; H330-Y460 PolarHBondContact O-OH 3.07Å |
| 331 | H | 89.7 | Confident | 76.9 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 108.9 | 179.8 | -176.1 | -162.2 | 0 | 0 | 0 | 111.6 | E308 V309 F310 Y328 T329 F358 N454 A457 | E308-H331 IonicContact OE2-CE1 2.62Å; E308-H331 IonicContact OE2-NE2 3.42Å; E308-H331 PolarHBondContact OE2-NE2 3.1Å; V309-H331 CarbonylContact O-C 3.58Å; V309-H331 WeakPolarHBondContact O-CA 3.04Å; F310-H331 HydrophobicContact CB-CB 4.46Å; Y328-H331 HydrophobicContact CD2-CB 4.38Å; Y328-H331 HydrophobicContact CE2-CB 4.18Å; T329-H331 PolarHBondContact O-N 3.05Å; H331-F358 HydrophobicContact CB-CB 4.2Å; H331-F358 AromaticContact CE1-CD1 3.61Å; H331-F358 AromaticContact CE1-CD2 3.18Å; H331-F358 WeakPolarHBondContact CE1-CD2 3.28Å; H331-F358 AromaticContact CE1-CE1 3.99Å; H331-F358 AromaticContact CE1-CE2 3.62Å; H331-F358 AromaticContact CE1-CG 3.2Å; H331-F358 WeakPolarHBondContact CE1-CG 3.37Å; H331-F358 AromaticContact CE1-CZ 4Å; H331-F358 AromaticContact CG-CG 3.94Å; H331-F358 WeakPolarHBondContact ND1-CB 3.29Å; H331-F358 AromaticContact ND1-CD1 3.54Å; H331-F358 AromaticContact ND1-CD2 3.81Å; H331-F358 AromaticContact ND1-CG 3.31Å; H331-F358 VanDerWaalsContact ND1-CG 3.31Å; H331-F358 WeakPolarHBondContact ND1-CG 3.49Å; H331-F358 AromaticContact NE2-CD2 3.49Å; H331-F358 WeakPolarHBondContact NE2-CD2 3.12Å; H331-F358 AromaticContact NE2-CG 3.78Å; H331-F358 VanDerWaalsContact O-CB 3.24Å; H331-F358 WeakPolarHBondContact O-CB 3.49Å; H331-F358 PolarHBondContact O-N 3.06Å; H331-N454 PolarHBondContact O-ND2 3.16Å; H331-A457 WeakPolarHBondContact O-CB 3.45Å |
| 332 | G | 91.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 167.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | E308 V309 H330 Y356 | E308-G332 WeakPolarHBondContact CA-O 3.45Å; V309-G332 PolarHBondContact N-O 3.28Å; V309-G332 PolarHBondContact O-N 3.34Å; H330-G332 PolarHBondContact O-N 2.68Å; G332-Y356 CarbonylContact C-O 3.54Å; G332-Y356 WeakPolarHBondContact CA-O 3.41Å |
| 333 | V | 93.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 131.7 | 178 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | P306 V307 E308 Y335 Y356 F358 Y363 | P306-V333 HydrophobicContact CB-CG1 3.88Å; V307-V333 WeakPolarHBondContact O-CA 3.26Å; E308-V333 HydrophobicContact CG-CG2 4.28Å; V333-Y335 HydrophobicContact CB-CE2 4.47Å; V333-Y335 HydrophobicContact CG1-CD1 4.2Å; V333-Y335 HydrophobicContact CG1-CE1 3.86Å; V333-Y335 HydrophobicContact CG1-CE2 4.33Å; V333-Y356 PolarHBondContact N-O 3.31Å; V333-Y356 PolarHBondContact O-N 3.05Å; V333-F358 HydrophobicContact CG2-CB 4.1Å; V333-F358 HydrophobicContact CG2-CD2 3.47Å; V333-F358 VanDerWaalsContact CG2-CD2 3.47Å; V333-F358 HydrophobicContact CG2-CE2 4.38Å; V333-F358 HydrophobicContact CG2-CG 4.26Å; V333-Y363 HydrophobicContact CG1-CD2 4.31Å; V333-Y363 HydrophobicContact CG1-CE2 4.38Å; V333-Y363 HydrophobicContact CG2-CD2 4.18Å; V333-Y363 HydrophobicContact CG2-CE2 4.46Å |
| 334 | A | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V307 | V307-A334 HydrophobicContact CB-CB 4.43Å; V307-A334 PolarHBondContact N-O 2.71Å; V307-A334 PolarHBondContact O-N 3.22Å |
| 335 | Y | 92.3 | Very high | 85.9 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 101.3 | 178.4 | -64.2 | -74.2 | 0 | 0 | 0 | 109.6 | V333 Y356 Y363 K366 T367 | V333-Y335 HydrophobicContact CB-CE2 4.47Å; V333-Y335 HydrophobicContact CG1-CD1 4.2Å; V333-Y335 HydrophobicContact CG1-CE1 3.86Å; V333-Y335 HydrophobicContact CG1-CE2 4.33Å; Y335-Y356 AromaticContact CD2-CD2 3.89Å; Y335-Y356 HydrophobicContact CD2-CD2 3.89Å; Y335-Y356 HydrophobicContact CD2-CE2 4.4Å; Y335-Y356 HydrophobicContact CE2-CD2 4.25Å; Y335-Y356 HydrophobicContact CE2-CG 4.49Å; Y335-Y363 HydrophobicContact CE1-CD2 4.46Å; Y335-K366 HydrophobicContact CD1-CB 4.31Å; Y335-K366 HydrophobicContact CD1-CD 4.07Å; Y335-K366 HydrophobicContact CD2-CD 4.05Å; Y335-K366 HydrophobicContact CE1-CB 4.03Å; Y335-K366 HydrophobicContact CE1-CD 3.89Å; Y335-K366 HydrophobicContact CE2-CD 3.86Å; Y335-K366 HydrophobicContact CG-CD 4.15Å; Y335-T367 HydrophobicContact CD1-CG2 4.25Å; Y335-T367 HydrophobicContact CE1-CG2 3.9Å |
| 336 | V | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.9 | -175.5 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | F304 L305 V307 L338 Y353 L469 F471 | F304-V336 CarbonylContact C-O 3.5Å; F304-V336 VanDerWaalsContact CA-O 3.3Å; F304-V336 WeakPolarHBondContact CA-O 3.47Å; L305-V336 PolarHBondContact N-O 3.34Å; L305-V336 PolarHBondContact O-N 3.1Å; V307-V336 HydrophobicContact CG2-CG2 3.85Å; V336-L338 HydrophobicContact CG1-CD2 3.63Å; V336-L338 HydrophobicContact CG1-CG 4.11Å; V336-L338 PolarHBondContact O-N 3.01Å; V336-Y353 HydrophobicContact CB-CD1 4.34Å; V336-Y353 HydrophobicContact CB-CE1 4.21Å; V336-Y353 HydrophobicContact CG1-CD1 4.37Å; V336-Y353 HydrophobicContact CG1-CE1 3.79Å; V336-Y353 HydrophobicContact CG1-CE2 4.15Å; V336-Y353 HydrophobicContact CG2-CD1 4.1Å; V336-Y353 HydrophobicContact CG2-CD2 4.15Å; V336-Y353 HydrophobicContact CG2-CE1 4.34Å; V336-Y353 HydrophobicContact CG2-CE2 4.38Å; V336-Y353 HydrophobicContact CG2-CG 4Å; V336-L469 HydrophobicContact CG2-CD1 3.56Å; V336-F471 HydrophobicContact CB-CE2 4.42Å; V336-F471 HydrophobicContact CG1-CD2 4.17Å; V336-F471 HydrophobicContact CG1-CE2 3.75Å; V336-F471 HydrophobicContact CG2-CE2 4.25Å |
| 337 | N | 90.3 | Very high | 88.8 | Confident | 55 Ų | 55 | 24 Ų | 24 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 110.9 | 171.8 | -175.9 | 2.9 | 0 | 0 | 0 | 110.1 | R303 F304 T339 | R303-N337 WeakPolarHBondContact O-CA 3.45Å; R303-N337 PolarHBondContact O-OD1 3.47Å; F304-N337 HydrophobicContact CD1-CB 4.03Å; F304-N337 HydrophobicContact CE1-CB 3.89Å; N337-T339 WeakPolarHBondContact OD1-CB 3.4Å; N337-T339 PolarHBondContact OD1-N 3.23Å; N337-T339 PolarHBondContact OD1-OG1 3.26Å |
| 338 | L | 89.9 | Confident | 89.4 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | trans | -99.3 | 2.5 | 178.7 | -68 | -174.7 | 0 | 0 | 0 | 113.5 | I299 R303 L305 V336 P340 L341 V349 F471 | I299-L338 HydrophobicContact CD1-CB 4.02Å; I299-L338 HydrophobicContact CD1-CD1 4.43Å; I299-L338 HydrophobicContact CG1-CB 3.99Å; I299-L338 HydrophobicContact CG1-CD1 4.47Å; I299-L338 VanDerWaalsContact CG2-C 3.5Å; I299-L338 HydrophobicContact CG2-CB 4.05Å; I299-L338 WeakPolarHBondContact CG2-O 3.47Å; R303-L338 PolarHBondContact O-N 3.32Å; L305-L338 HydrophobicContact CB-CD1 3.71Å; L305-L338 HydrophobicContact CB-CG 4.13Å; L305-L338 HydrophobicContact CD2-CD1 3.65Å; L305-L338 HydrophobicContact CG-CD1 4.23Å; V336-L338 HydrophobicContact CG1-CD2 3.63Å; V336-L338 HydrophobicContact CG1-CG 4.11Å; V336-L338 PolarHBondContact O-N 3.01Å; L338-P340 VanDerWaalsContact O-N 3.15Å; L338-L341 HydrophobicContact CB-CD1 4.47Å; L338-L341 HydrophobicContact CD2-CD1 4.08Å; L338-L341 WeakPolarHBondContact O-CB 3.5Å; L338-L341 PolarHBondContact O-N 3.44Å; L338-V349 HydrophobicContact CD2-CG1 4.41Å; L338-F471 HydrophobicContact CD2-CB 4.26Å; L338-F471 HydrophobicContact CD2-CD1 4.32Å; L338-F471 HydrophobicContact CD2-CD2 3.91Å; L338-F471 HydrophobicContact CD2-CE2 4.34Å; L338-F471 HydrophobicContact CD2-CG 3.9Å | ||
| 339 | T | 90.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -49.7 | -36.1 | 176 | -61 | 0 | 0 | 0 | 0 | 113.6 | N337 L341 L342 Y343 I755 | N337-T339 WeakPolarHBondContact OD1-CB 3.4Å; N337-T339 PolarHBondContact OD1-N 3.23Å; N337-T339 PolarHBondContact OD1-OG1 3.26Å; T339-L341 PolarHBondContact O-N 3.29Å; T339-L341 VanDerWaalsContact O-N 3.16Å; T339-L342 WeakPolarHBondContact O-CB 3.47Å; T339-L342 PolarHBondContact O-N 3.31Å; T339-Y343 HydrophobicContact CG2-CE1 3.8Å; T339-I755 HydrophobicContact CG2-CG2 4.45Å |
| 340 | P | 89.7 | Confident | 90 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.2 | 178.3 | -21.7 | 31.6 | 0 | 0 | 0 | 114.9 | L338 L342 Y343 V346 V349 | L338-P340 VanDerWaalsContact O-N 3.15Å; P340-L342 PolarHBondContact O-N 2.67Å; P340-Y343 VanDerWaalsContact CA-CD2 3.49Å; P340-Y343 HydrophobicContact CB-CD2 3.84Å; P340-Y343 HydrophobicContact CB-CE2 3.74Å; P340-Y343 HydrophobicContact CG-CE2 4.1Å; P340-Y343 VanDerWaalsContact O-CB 3.24Å; P340-Y343 WeakPolarHBondContact O-CB 3.42Å; P340-Y343 PolarHBondContact O-N 3.44Å; P340-V346 VanDerWaalsContact O-CB 3.24Å; P340-V346 WeakPolarHBondContact O-CB 3.49Å; P340-V346 VanDerWaalsContact O-CG1 3.25Å; P340-V346 WeakPolarHBondContact O-CG1 3.24Å; P340-V349 HydrophobicContact CB-CG2 3.72Å; P340-V349 HydrophobicContact CG-CG2 4.13Å |
| 341 | L | 90 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -66.8 | -14.5 | 173.6 | -65.2 | 178.3 | 0 | 0 | 0 | 113.3 | L338 T339 V349 F471 L473 L477 | L338-L341 HydrophobicContact CB-CD1 4.47Å; L338-L341 HydrophobicContact CD2-CD1 4.08Å; L338-L341 WeakPolarHBondContact O-CB 3.5Å; L338-L341 PolarHBondContact O-N 3.44Å; T339-L341 PolarHBondContact O-N 3.29Å; T339-L341 VanDerWaalsContact O-N 3.16Å; L341-V349 HydrophobicContact CD2-CB 4.37Å; L341-V349 HydrophobicContact CD2-CG2 3.79Å; L341-V349 HydrophobicContact CG-CB 4.43Å; L341-V349 HydrophobicContact CG-CG2 3.72Å; L341-F471 HydrophobicContact CD1-CB 4.47Å; L341-L473 HydrophobicContact CD1-CD1 4.48Å; L341-L473 HydrophobicContact CD2-CD1 4.31Å; L341-L477 HydrophobicContact CB-CD1 4.25Å |
| 342 | L | 91.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.063 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -88.1 | -9 | 172.9 | -58 | -178.8 | 0 | 0 | 0 | 112.5 | K296 I299 S300 T339 P340 L477 V478 I755 | K296-L342 HydrophobicContact CB-CD2 4.09Å; K296-L342 HydrophobicContact CG-CD2 3.83Å; I299-L342 HydrophobicContact CB-CD1 4.07Å; I299-L342 HydrophobicContact CB-CG 4.38Å; I299-L342 HydrophobicContact CG2-CD1 3.62Å; I299-L342 HydrophobicContact CG2-CG 3.86Å; S300-L342 VanDerWaalsContact OG-CD1 3.24Å; S300-L342 WeakPolarHBondContact OG-CD1 3.25Å; T339-L342 WeakPolarHBondContact O-CB 3.47Å; T339-L342 PolarHBondContact O-N 3.31Å; P340-L342 PolarHBondContact O-N 2.67Å; L342-L477 HydrophobicContact CD2-CD1 4.12Å; L342-V478 VanDerWaalsContact O-CG2 3.29Å; L342-V478 WeakPolarHBondContact O-CG2 3.47Å; L342-I755 HydrophobicContact CB-CG2 3.9Å; L342-I755 HydrophobicContact CD1-CD1 3.75Å; L342-I755 HydrophobicContact CD1-CG1 4.4Å |
| 343 | Y | 90.9 | Very high | 90.3 | Very high | 17 Ų | 17 | 17.2 Ų | 17.2 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -71.6 | 139.7 | 177.2 | -58.2 | -14.9 | 0 | 0 | 0 | 110.1 | T339 P340 G345 V346 I755 M759 N762 | T339-Y343 HydrophobicContact CG2-CE1 3.8Å; P340-Y343 VanDerWaalsContact CA-CD2 3.49Å; P340-Y343 HydrophobicContact CB-CD2 3.84Å; P340-Y343 HydrophobicContact CB-CE2 3.74Å; P340-Y343 HydrophobicContact CG-CE2 4.1Å; P340-Y343 VanDerWaalsContact O-CB 3.24Å; P340-Y343 WeakPolarHBondContact O-CB 3.42Å; P340-Y343 PolarHBondContact O-N 3.44Å; Y343-G345 PolarHBondContact O-N 2.88Å; Y343-G345 VanDerWaalsContact O-N 3.12Å; Y343-V346 PolarHBondContact O-N 3.3Å; Y343-V346 VanDerWaalsContact O-N 3.1Å; Y343-I755 HydrophobicContact CD1-CG2 3.96Å; Y343-I755 HydrophobicContact CE1-CG2 4Å; Y343-M759 HydrophobicContact CD1-CB 3.55Å; Y343-M759 HydrophobicContact CD1-CG 3.82Å; Y343-M759 HydrophobicContact CD2-CB 4.09Å; Y343-M759 HydrophobicContact CD2-CG 3.75Å; Y343-M759 HydrophobicContact CE1-CB 3.52Å; Y343-M759 HydrophobicContact CE1-CG 4.21Å; Y343-M759 HydrophobicContact CE2-CB 4.08Å; Y343-M759 HydrophobicContact CE2-CG 4.16Å; Y343-M759 HydrophobicContact CG-CB 3.85Å; Y343-M759 HydrophobicContact CG-CG 3.58Å; Y343-M759 PolarHBondContact OH-N 2.97Å; Y343-N762 PolarHBondContact OH-ND2 3.47Å |
| 344 | P | 87.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 19.7 Ų | 19.7 | 30% | 0.299 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 119.4 | -177.5 | -24.4 | 33.7 | 0 | 0 | 0 | 112.6 | V346 V478 K480 M759 | P344-V346 VanDerWaalsContact C-N 3.33Å; P344-V478 HydrophobicContact CB-CG1 4.21Å; P344-V478 HydrophobicContact CG-CG1 4.12Å; P344-K480 HydrophobicContact CB-CB 4.33Å; P344-K480 HydrophobicContact CB-CG 4.42Å; P344-M759 HydrophobicContact CG-CE 4.35Å |
| 345 | G | 86.8 | Confident | 90.4 | Very high | 29 Ų | 29 | 19.7 Ų | 19.7 | 30% | 0.299 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -2.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y343 V478 | Y343-G345 PolarHBondContact O-N 2.88Å; Y343-G345 VanDerWaalsContact O-N 3.12Å; G345-V478 PolarHBondContact N-O 3.34Å |
| 346 | V | 88.5 | Confident | 90.4 | Very high | 41 Ų | 41 | 22 Ų | 22 | 25% | 0.248 | 12% | 0.116 | C | C | . | . | trans | -81.3 | 121.8 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | P340 Y343 P344 Y348 P476 | P340-V346 VanDerWaalsContact O-CB 3.24Å; P340-V346 WeakPolarHBondContact O-CB 3.49Å; P340-V346 VanDerWaalsContact O-CG1 3.25Å; P340-V346 WeakPolarHBondContact O-CG1 3.24Å; Y343-V346 PolarHBondContact O-N 3.3Å; Y343-V346 VanDerWaalsContact O-N 3.1Å; P344-V346 VanDerWaalsContact C-N 3.33Å; V346-Y348 VanDerWaalsContact CG1-O 3.23Å; V346-Y348 WeakPolarHBondContact CG1-O 3.48Å; V346-P476 WeakPolarHBondContact O-CB 3.29Å | ||
| 347 | D | 88.7 | Confident | 90.4 | Very high | 52 Ų | 52 | 22.5 Ų | 22.5 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | trans | -116.2 | -1.4 | -179.7 | 63 | -6.4 | 0 | 0 | 0 | 112.5 | R472 L473 P476 | D347-R472 CarbonylContact O-C 3.23Å; D347-R472 WeakPolarHBondContact O-CA 3.29Å; D347-L473 PolarHBondContact O-N 2.78Å; D347-P476 HydrophobicContact CB-CB 4.13Å | ||
| 348 | Y | 89.3 | Confident | 90.3 | Very high | 61 Ų | 61 | 21.1 Ų | 21.1 | 24% | 0.239 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.4 | 175.6 | 78.5 | -88 | 0 | 0 | 0 | 113 | L250 V346 R350 F471 | L250-Y348 HydrophobicContact CD2-CD1 4.39Å; L250-Y348 HydrophobicContact CD2-CD2 3.39Å; L250-Y348 HydrophobicContact CD2-CE1 4.16Å; L250-Y348 HydrophobicContact CD2-CE2 3.1Å; L250-Y348 HydrophobicContact CD2-CG 4.05Å; V346-Y348 VanDerWaalsContact CG1-O 3.23Å; V346-Y348 WeakPolarHBondContact CG1-O 3.48Å; Y348-R350 HydrophobicContact CD2-CB 4.45Å; Y348-F471 CarbonylContact C-O 3.45Å; Y348-F471 WeakPolarHBondContact CA-O 3.28Å |
| 349 | V | 89.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.7 | 170 | 166 | 0 | 0 | 0 | 0 | 107 | D255 L338 P340 L341 Y353 E470 F471 | D255-V349 HydrophobicContact CB-CG1 4.22Å; D255-V349 WeakPolarHBondContact OD2-CA 3.4Å; L338-V349 HydrophobicContact CD2-CG1 4.41Å; P340-V349 HydrophobicContact CB-CG2 3.72Å; P340-V349 HydrophobicContact CG-CG2 4.13Å; L341-V349 HydrophobicContact CD2-CB 4.37Å; L341-V349 HydrophobicContact CD2-CG2 3.79Å; L341-V349 HydrophobicContact CG-CB 4.43Å; L341-V349 HydrophobicContact CG-CG2 3.72Å; V349-Y353 WeakPolarHBondContact CG1-OH 3.44Å; V349-E470 CarbonylContact O-C 3.5Å; V349-E470 WeakPolarHBondContact O-CA 3.48Å; V349-F471 PolarHBondContact N-O 3.12Å; V349-F471 PolarHBondContact O-N 2.74Å |
| 350 | R | 89 | Confident | 89.9 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.3 | 179.3 | 177.9 | 168.9 | -179.4 | -85.8 | -2.6 | 109.3 | E170 E254 D255 Y348 L469 E470 | E170-R350 IonicContact OE1-CZ 3.63Å; E170-R350 IonicContact OE1-NE 3.67Å; E170-R350 PolarHBondContact OE1-NE 3.31Å; E170-R350 IonicContact OE1-NH2 2.67Å; E170-R350 PolarHBondContact OE1-NH2 3.33Å; E170-R350 IonicContact OE2-NH2 3.58Å; E170-R350 PolarHBondContact OE2-NH2 3.41Å; E254-R350 CarbonylContact C-O 3.39Å; E254-R350 WeakPolarHBondContact CA-O 3.45Å; E254-R350 IonicContact OE1-CZ 2.63Å; E254-R350 IonicContact OE1-NH1 3.75Å; E254-R350 PolarHBondContact OE1-NH1 3.34Å; E254-R350 IonicContact OE1-NH2 3.11Å; D255-R350 PolarHBondContact N-O 3.01Å; D255-R350 PolarHBondContact OD2-N 2.61Å; Y348-R350 HydrophobicContact CD2-CB 4.45Å; R350-L469 WeakPolarHBondContact CA-O 3.44Å; R350-E470 HydrophobicContact CB-CB 4.01Å; R350-E470 HydrophobicContact CB-CG 4.09Å; R350-E470 HydrophobicContact CG-CB 3.89Å; R350-E470 HydrophobicContact CG-CG 4.36Å |
| 351 | G | 88.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D255 Y353 L469 | D255-G351 WeakPolarHBondContact O-CA 3.18Å; G351-Y353 VanDerWaalsContact C-CE2 3.48Å; G351-Y353 WeakPolarHBondContact O-CD2 3.49Å; G351-Y353 WeakPolarHBondContact O-CE2 3.47Å; G351-L469 PolarHBondContact N-O 2.92Å; G351-L469 PolarHBondContact O-N 3.17Å |
| 352 | A | 90.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 106 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D255 G256 D257 F258 F466 M468 | D255-A352 PolarHBondContact O-N 3.29Å; G256-A352 CarbonylContact C-O 3.46Å; D257-A352 PolarHBondContact N-O 3.49Å; F258-A352 HydrophobicContact CB-CB 3.9Å; F258-A352 PolarHBondContact N-O 2.91Å; F258-A352 WeakPolarHBondContact O-CB 3.41Å; A352-F466 HydrophobicContact CB-CD2 3.9Å; A352-F466 HydrophobicContact CB-CE2 4.34Å; A352-M468 HydrophobicContact CB-SD 3.75Å |
| 353 | Y | 93.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.3 | -172.3 | -61.2 | -83.7 | 0 | 0 | 0 | 110.8 | V336 V349 G351 F466 M467 L469 | V336-Y353 HydrophobicContact CB-CD1 4.34Å; V336-Y353 HydrophobicContact CB-CE1 4.21Å; V336-Y353 HydrophobicContact CG1-CD1 4.37Å; V336-Y353 HydrophobicContact CG1-CE1 3.79Å; V336-Y353 HydrophobicContact CG1-CE2 4.15Å; V336-Y353 HydrophobicContact CG2-CD1 4.1Å; V336-Y353 HydrophobicContact CG2-CD2 4.15Å; V336-Y353 HydrophobicContact CG2-CE1 4.34Å; V336-Y353 HydrophobicContact CG2-CE2 4.38Å; V336-Y353 HydrophobicContact CG2-CG 4Å; V349-Y353 WeakPolarHBondContact CG1-OH 3.44Å; G351-Y353 VanDerWaalsContact C-CE2 3.48Å; G351-Y353 WeakPolarHBondContact O-CD2 3.49Å; G351-Y353 WeakPolarHBondContact O-CE2 3.47Å; Y353-F466 CarbonylContact O-C 3.59Å; Y353-F466 WeakPolarHBondContact O-CA 3.19Å; Y353-F466 WeakPolarHBondContact O-CB 3.25Å; Y353-M467 PolarHBondContact N-O 2.96Å; Y353-M467 PolarHBondContact O-N 2.81Å; Y353-L469 HydrophobicContact CD2-CB 3.93Å; Y353-L469 HydrophobicContact CD2-CD1 4.07Å; Y353-L469 HydrophobicContact CD2-CG 4.32Å; Y353-L469 HydrophobicContact CE2-CB 4Å |
| 354 | K | 94.2 | Very high | 89.1 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 22% | 0.222 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.9 | 179.9 | -175.9 | 171.3 | 173.9 | -177 | 0 | 110.2 | D257 F258 Y356 | D257-K354 HydrophobicContact CB-CB 3.87Å; D257-K354 WeakPolarHBondContact OD2-CB 3.37Å; D257-K354 PolarHBondContact OD2-N 3.14Å; F258-K354 HydrophobicContact CD2-CB 4.33Å; F258-K354 HydrophobicContact CE2-CB 3.65Å; F258-K354 HydrophobicContact CE2-CD 4.08Å; F258-K354 HydrophobicContact CE2-CG 3.82Å; F258-K354 HydrophobicContact CZ-CB 4.2Å; F258-K354 HydrophobicContact CZ-CD 3.79Å; F258-K354 HydrophobicContact CZ-CG 4.04Å; K354-Y356 HydrophobicContact CB-CE2 3.95Å; K354-Y356 HydrophobicContact CD-CE1 4.17Å; K354-Y356 HydrophobicContact CD-CE2 4.33Å; K354-Y356 HydrophobicContact CG-CE2 4.05Å; K354-Y356 WeakPolarHBondContact O-CD2 3.45Å |
| 355 | I | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.4 | 177.8 | -58.9 | 169.2 | 0 | 0 | 0 | 108.4 | I172 V309 Y460 S465 M467 | I172-I355 HydrophobicContact CB-CD1 4.36Å; I172-I355 HydrophobicContact CD1-CD1 3.96Å; I172-I355 HydrophobicContact CG1-CD1 3.83Å; I172-I355 HydrophobicContact CG2-CD1 3.62Å; V309-I355 HydrophobicContact CG2-CD1 4.39Å; V309-I355 HydrophobicContact CG2-CG2 3.83Å; I355-Y460 HydrophobicContact CB-CG 4.36Å; I355-Y460 HydrophobicContact CD1-CD1 4.43Å; I355-Y460 HydrophobicContact CG2-CD1 4.21Å; I355-Y460 HydrophobicContact CG2-CD2 3.8Å; I355-Y460 HydrophobicContact CG2-CE2 4.33Å; I355-Y460 HydrophobicContact CG2-CG 3.72Å; I355-S465 PolarHBondContact N-O 2.73Å; I355-M467 HydrophobicContact CD1-CB 4.24Å; I355-M467 HydrophobicContact CG1-CB 4.33Å |
| 356 | Y | 92.2 | Very high | 88.8 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 149.9 | 174.9 | -63.3 | -90 | 0 | 0 | 0 | 109.8 | G332 V333 Y335 K354 L461 | G332-Y356 CarbonylContact C-O 3.54Å; G332-Y356 WeakPolarHBondContact CA-O 3.41Å; V333-Y356 PolarHBondContact N-O 3.31Å; V333-Y356 PolarHBondContact O-N 3.05Å; Y335-Y356 AromaticContact CD2-CD2 3.89Å; Y335-Y356 HydrophobicContact CD2-CD2 3.89Å; Y335-Y356 HydrophobicContact CD2-CE2 4.4Å; Y335-Y356 HydrophobicContact CE2-CD2 4.25Å; Y335-Y356 HydrophobicContact CE2-CG 4.49Å; K354-Y356 HydrophobicContact CB-CE2 3.95Å; K354-Y356 HydrophobicContact CD-CE1 4.17Å; K354-Y356 HydrophobicContact CD-CE2 4.33Å; K354-Y356 HydrophobicContact CG-CE2 4.05Å; K354-Y356 WeakPolarHBondContact O-CD2 3.45Å; Y356-L461 HydrophobicContact CD1-CD1 4.16Å; Y356-L461 HydrophobicContact CE1-CD1 4.34Å |
| 357 | P | 91.5 | Very high | 88.5 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.9 | 169.5 | 26.4 | -34.3 | 0 | 0 | 0 | 110.2 | I359 A457 | P357-I359 HydrophobicContact CG-CD1 4.44Å; P357-I359 PolarHBondContact O-N 2.88Å; P357-A457 HydrophobicContact CB-CB 3.81Å |
| 358 | F | 88.5 | Confident | 88 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 118.5 | 175.1 | -179.8 | -89 | 0 | 0 | 0 | 110 | H331 V333 Q360 Y363 | H331-F358 HydrophobicContact CB-CB 4.2Å; H331-F358 AromaticContact CE1-CD1 3.61Å; H331-F358 AromaticContact CE1-CD2 3.18Å; H331-F358 WeakPolarHBondContact CE1-CD2 3.28Å; H331-F358 AromaticContact CE1-CE1 3.99Å; H331-F358 AromaticContact CE1-CE2 3.62Å; H331-F358 AromaticContact CE1-CG 3.2Å; H331-F358 WeakPolarHBondContact CE1-CG 3.37Å; H331-F358 AromaticContact CE1-CZ 4Å; H331-F358 AromaticContact CG-CG 3.94Å; H331-F358 WeakPolarHBondContact ND1-CB 3.29Å; H331-F358 AromaticContact ND1-CD1 3.54Å; H331-F358 AromaticContact ND1-CD2 3.81Å; H331-F358 AromaticContact ND1-CG 3.31Å; H331-F358 VanDerWaalsContact ND1-CG 3.31Å; H331-F358 WeakPolarHBondContact ND1-CG 3.49Å; H331-F358 AromaticContact NE2-CD2 3.49Å; H331-F358 WeakPolarHBondContact NE2-CD2 3.12Å; H331-F358 AromaticContact NE2-CG 3.78Å; H331-F358 VanDerWaalsContact O-CB 3.24Å; H331-F358 WeakPolarHBondContact O-CB 3.49Å; H331-F358 PolarHBondContact O-N 3.06Å; V333-F358 HydrophobicContact CG2-CB 4.1Å; V333-F358 HydrophobicContact CG2-CD2 3.47Å; V333-F358 VanDerWaalsContact CG2-CD2 3.47Å; V333-F358 HydrophobicContact CG2-CE2 4.38Å; V333-F358 HydrophobicContact CG2-CG 4.26Å; F358-Q360 HydrophobicContact CE1-CB 4.17Å; F358-Y363 HydrophobicContact CD2-CD2 4.21Å; F358-Y363 HydrophobicContact CE2-CD1 4.2Å; F358-Y363 AromaticContact CE2-CD2 3.72Å; F358-Y363 HydrophobicContact CE2-CD2 3.72Å; F358-Y363 HydrophobicContact CE2-CE2 4.08Å; F358-Y363 AromaticContact CE2-CG 3.75Å; F358-Y363 HydrophobicContact CE2-CG 3.75Å; F358-Y363 HydrophobicContact CZ-CG 4.34Å |
| 359 | I | 87.5 | Confident | 87.5 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | trans | -127.9 | 114.5 | 172.8 | -60.5 | 172.7 | 0 | 0 | 0 | 107 | P357 K361 E362 Y363 | P357-I359 HydrophobicContact CG-CD1 4.44Å; P357-I359 PolarHBondContact O-N 2.88Å; I359-K361 VanDerWaalsContact C-N 3.29Å; I359-K361 PolarHBondContact O-N 3.16Å; I359-E362 HydrophobicContact CB-CB 4.36Å; I359-E362 HydrophobicContact CB-CG 4.3Å; I359-E362 HydrophobicContact CG2-CG 4.16Å; I359-E362 PolarHBondContact O-N 3.49Å; I359-E362 VanDerWaalsContact O-N 3.17Å; I359-Y363 WeakPolarHBondContact O-CB 3.43Å; I359-Y363 PolarHBondContact O-N 2.91Å | ||
| 360 | Q | 85.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -51.8 | -45.2 | -173.6 | -177.4 | 66.5 | 34.2 | 0 | 0 | 112.8 | F358 Y363 E364 Q370 | F358-Q360 HydrophobicContact CE1-CB 4.17Å; Q360-Y363 PolarHBondContact O-N 3.47Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.48Å; Q360-E364 PolarHBondContact NE2-OE1 3.48Å; Q360-E364 WeakPolarHBondContact O-CB 3.49Å; Q360-E364 WeakPolarHBondContact O-CG 3.47Å; Q360-E364 PolarHBondContact O-N 2.95Å; Q360-Q370 PolarHBondContact NE2-O 3.06Å |
| 361 | K | 86.4 | Confident | 86.2 | Confident | 163 Ų | 163 | 58 Ų | 58 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | -179.2 | -173 | -177.9 | 177.2 | -174.1 | 0 | 112.8 | I359 Y363 E365 | I359-K361 VanDerWaalsContact C-N 3.29Å; I359-K361 PolarHBondContact O-N 3.16Å; K361-Y363 VanDerWaalsContact C-N 3.34Å; K361-E365 WeakPolarHBondContact O-CB 3.36Å; K361-E365 PolarHBondContact O-N 2.88Å |
| 362 | E | 86 | Confident | 85.9 | Confident | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 177.9 | -66.2 | -174.2 | -168.3 | 0 | 0 | 111.7 | I359 E365 K366 | I359-E362 HydrophobicContact CB-CB 4.36Å; I359-E362 HydrophobicContact CB-CG 4.3Å; I359-E362 HydrophobicContact CG2-CG 4.16Å; I359-E362 PolarHBondContact O-N 3.49Å; I359-E362 VanDerWaalsContact O-N 3.17Å; E362-E365 PolarHBondContact O-N 2.92Å; E362-K366 WeakPolarHBondContact O-CB 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.39Å; E362-K366 PolarHBondContact O-N 3.44Å |
| 363 | Y | 87 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 176.3 | -178 | -90.8 | 0 | 0 | 0 | 111.3 | P306 E308 V333 Y335 F358 I359 Q360 K361 E365 T367 R369 | P306-Y363 HydrophobicContact CB-CD2 4.39Å; P306-Y363 HydrophobicContact CB-CE2 3.62Å; P306-Y363 HydrophobicContact CG-CE2 4.04Å; E308-Y363 HydrophobicContact CG-CE2 4.33Å; E308-Y363 PolarHBondContact OE1-OH 3.18Å; V333-Y363 HydrophobicContact CG1-CD2 4.31Å; V333-Y363 HydrophobicContact CG1-CE2 4.38Å; V333-Y363 HydrophobicContact CG2-CD2 4.18Å; V333-Y363 HydrophobicContact CG2-CE2 4.46Å; Y335-Y363 HydrophobicContact CE1-CD2 4.46Å; F358-Y363 HydrophobicContact CD2-CD2 4.21Å; F358-Y363 HydrophobicContact CE2-CD1 4.2Å; F358-Y363 AromaticContact CE2-CD2 3.72Å; F358-Y363 HydrophobicContact CE2-CD2 3.72Å; F358-Y363 HydrophobicContact CE2-CE2 4.08Å; F358-Y363 AromaticContact CE2-CG 3.75Å; F358-Y363 HydrophobicContact CE2-CG 3.75Å; F358-Y363 HydrophobicContact CZ-CG 4.34Å; I359-Y363 WeakPolarHBondContact O-CB 3.43Å; I359-Y363 PolarHBondContact O-N 2.91Å; Q360-Y363 PolarHBondContact O-N 3.47Å; K361-Y363 VanDerWaalsContact C-N 3.34Å; Y363-E365 VanDerWaalsContact C-N 3.33Å; Y363-E365 PolarHBondContact O-N 3.48Å; Y363-T367 HydrophobicContact CD2-CG2 4.3Å; Y363-T367 HydrophobicContact CE2-CG2 4.36Å; Y363-T367 VanDerWaalsContact O-CB 3.29Å; Y363-T367 WeakPolarHBondContact O-CB 3.47Å; Y363-T367 WeakPolarHBondContact O-CG2 3.49Å; Y363-T367 PolarHBondContact O-N 2.88Å; Y363-T367 PolarHBondContact O-OG1 2.98Å; Y363-R369 HydrophobicContact CE1-CB 3.76Å; Y363-R369 WeakPolarHBondContact OH-CD 3.22Å |
| 364 | E | 86.1 | Confident | 84.7 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 173.8 | -78.3 | 172.3 | -161.9 | 0 | 0 | 111.9 | Q360 K368 R369 | Q360-E364 WeakPolarHBondContact CG-OE1 3.48Å; Q360-E364 PolarHBondContact NE2-OE1 3.48Å; Q360-E364 WeakPolarHBondContact O-CB 3.49Å; Q360-E364 WeakPolarHBondContact O-CG 3.47Å; Q360-E364 PolarHBondContact O-N 2.95Å; E364-K368 WeakPolarHBondContact O-CA 3.44Å; E364-K368 PolarHBondContact O-N 2.85Å; E364-R369 VanDerWaalsContact CG-O 3.25Å; E364-R369 WeakPolarHBondContact CG-O 3.25Å |
| 365 | E | 85.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.2 | -49.4 | -179.9 | -174.8 | 173.8 | -179.9 | 0 | 0 | 112 | K361 E362 Y363 | K361-E365 WeakPolarHBondContact O-CB 3.36Å; K361-E365 PolarHBondContact O-N 2.88Å; E362-E365 PolarHBondContact O-N 2.92Å; Y363-E365 VanDerWaalsContact C-N 3.33Å; Y363-E365 PolarHBondContact O-N 3.48Å |
| 366 | K | 82.2 | Confident | 82.6 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.6 | -36 | -176.8 | -71.2 | 179.3 | 176.7 | 174 | 0 | 113.4 | Y335 E362 | Y335-K366 HydrophobicContact CD1-CB 4.31Å; Y335-K366 HydrophobicContact CD1-CD 4.07Å; Y335-K366 HydrophobicContact CD2-CD 4.05Å; Y335-K366 HydrophobicContact CE1-CB 4.03Å; Y335-K366 HydrophobicContact CE1-CD 3.89Å; Y335-K366 HydrophobicContact CE2-CD 3.86Å; Y335-K366 HydrophobicContact CG-CD 4.15Å; E362-K366 WeakPolarHBondContact O-CB 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.39Å; E362-K366 PolarHBondContact O-N 3.44Å |
| 367 | T | 82 | Confident | 82 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -109.1 | -13.2 | -171.2 | 76 | 0 | 0 | 0 | 0 | 113.8 | P306 Y335 Y363 R369 | P306-T367 HydrophobicContact CB-CG2 3.86Å; P306-T367 HydrophobicContact CG-CG2 3.71Å; Y335-T367 HydrophobicContact CD1-CG2 4.25Å; Y335-T367 HydrophobicContact CE1-CG2 3.9Å; Y363-T367 HydrophobicContact CD2-CG2 4.3Å; Y363-T367 HydrophobicContact CE2-CG2 4.36Å; Y363-T367 VanDerWaalsContact O-CB 3.29Å; Y363-T367 WeakPolarHBondContact O-CB 3.47Å; Y363-T367 WeakPolarHBondContact O-CG2 3.49Å; Y363-T367 PolarHBondContact O-N 2.88Å; Y363-T367 PolarHBondContact O-OG1 2.98Å; T367-R369 PolarHBondContact O-N 3.18Å; T367-R369 WeakPolarHBondContact OG1-CB 3.3Å; T367-R369 PolarHBondContact OG1-N 3.27Å |
| 368 | K | 78 | Confident | 81.2 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | trans | 53.9 | 16.4 | -172.2 | -58.6 | -62.1 | -177.7 | -164.9 | 0 | 114.5 | Y302 E364 | Y302-K368 HydrophobicContact CD1-CB 4.12Å; Y302-K368 HydrophobicContact CD1-CG 3.8Å; Y302-K368 HydrophobicContact CE1-CB 3.73Å; Y302-K368 HydrophobicContact CE1-CG 3.63Å; E364-K368 WeakPolarHBondContact O-CA 3.44Å; E364-K368 PolarHBondContact O-N 2.85Å | ||
| 369 | R | 77.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 71 Ų | 71 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | trans | -88 | 133.8 | 172 | -63.4 | 176.5 | 74.4 | 89.6 | 3.2 | 109.8 | P192 E201 Y363 E364 T367 | P192-R369 VanDerWaalsContact CB-NH1 3.29Å; E201-R369 VanDerWaalsContact CD-NH1 3.29Å; E201-R369 IonicContact OE1-NH1 3.27Å; E201-R369 PolarHBondContact OE1-NH1 3.41Å; E201-R369 IonicContact OE2-CZ 3.94Å; E201-R369 IonicContact OE2-NH1 2.71Å; E201-R369 PolarHBondContact OE2-NH1 3.18Å; E201-R369 IonicContact OE2-NH2 2.83Å; E201-R369 PolarHBondContact OE2-NH2 3.12Å; Y363-R369 HydrophobicContact CE1-CB 3.76Å; Y363-R369 WeakPolarHBondContact OH-CD 3.22Å; E364-R369 VanDerWaalsContact CG-O 3.25Å; E364-R369 WeakPolarHBondContact CG-O 3.25Å; T367-R369 PolarHBondContact O-N 3.18Å; T367-R369 WeakPolarHBondContact OG1-CB 3.3Å; T367-R369 PolarHBondContact OG1-N 3.27Å | ||
| 370 | Q | 74.5 | Confident | 79.6 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -76.9 | -30.6 | 178.5 | -61.2 | -64.7 | -51.7 | 0 | 0 | 112.9 | Q360 | Q360-Q370 PolarHBondContact NE2-O 3.06Š|
| 371 | N | 78.3 | Confident | 78.4 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 66% | 0.658 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -127.9 | 141.6 | -173.3 | -65.5 | -26.7 | 0 | 0 | 0 | 111.6 | ||
| 372 | S | 81.2 | Confident | 76.9 | Confident | 20 Ų | 20 | 65 Ų | 65 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | trans | -62.9 | 148.3 | 168.4 | 158.2 | 0 | 0 | 0 | 0 | 111.1 | E308 I374 | E308-S372 PolarHBondContact OE2-OG 3.48Å; S372-I374 PolarHBondContact O-N 3.14Å; S372-I374 WeakPolarHBondContact OG-CB 3.37Å; S372-I374 VanDerWaalsContact OG-CG2 3.32Å; S372-I374 WeakPolarHBondContact OG-CG2 3.3Å; S372-I374 PolarHBondContact OG-N 3.22Å | ||
| 373 | L | 80.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.2 | 174 | -77.4 | 102.1 | 0 | 0 | 0 | 113.2 | P192 A203 E308 R375 D376 V377 | P192-L373 HydrophobicContact CB-CD1 4.24Å; P192-L373 HydrophobicContact CB-CD2 3.97Å; P192-L373 HydrophobicContact CG-CD1 3.99Å; P192-L373 HydrophobicContact CG-CD2 4.48Å; A203-L373 HydrophobicContact CB-CD2 3.66Å; E308-L373 VanDerWaalsContact OE1-CD1 3.25Å; E308-L373 WeakPolarHBondContact OE1-CD1 3.45Å; E308-L373 PolarHBondContact OE1-N 3.02Å; L373-R375 VanDerWaalsContact C-N 3.26Å; L373-R375 PolarHBondContact O-N 3.49Å; L373-R375 VanDerWaalsContact O-N 3.14Å; L373-D376 PolarHBondContact O-N 3.33Å; L373-V377 HydrophobicContact CB-CG2 4.21Å; L373-V377 WeakPolarHBondContact O-CG2 3.39Å; L373-V377 PolarHBondContact O-N 3.1Å |
| 374 | I | 79.7 | Confident | 73.1 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.9 | -38.1 | -168.7 | -156.9 | 157 | 0 | 0 | 0 | 112.9 | F310 Y328 S372 D376 V377 L378 | F310-I374 HydrophobicContact CB-CD1 4.24Å; F310-I374 HydrophobicContact CD1-CD1 3.78Å; F310-I374 HydrophobicContact CD1-CG1 4.11Å; F310-I374 HydrophobicContact CD2-CD1 3.96Å; F310-I374 HydrophobicContact CD2-CG1 4.36Å; F310-I374 HydrophobicContact CE1-CD1 4.06Å; F310-I374 HydrophobicContact CE1-CG1 3.85Å; F310-I374 HydrophobicContact CE2-CD1 4.21Å; F310-I374 HydrophobicContact CE2-CG1 4.09Å; F310-I374 HydrophobicContact CG-CD1 3.73Å; F310-I374 HydrophobicContact CG-CG1 4.36Å; F310-I374 HydrophobicContact CZ-CD1 4.25Å; F310-I374 HydrophobicContact CZ-CG1 3.82Å; Y328-I374 HydrophobicContact CD1-CD1 3.92Å; Y328-I374 HydrophobicContact CD1-CG1 4.47Å; Y328-I374 HydrophobicContact CD2-CD1 3.4Å; Y328-I374 HydrophobicContact CE1-CD1 4.02Å; Y328-I374 HydrophobicContact CE2-CD1 3.52Å; Y328-I374 HydrophobicContact CG-CD1 3.6Å; S372-I374 PolarHBondContact O-N 3.14Å; S372-I374 WeakPolarHBondContact OG-CB 3.37Å; S372-I374 VanDerWaalsContact OG-CG2 3.32Å; S372-I374 WeakPolarHBondContact OG-CG2 3.3Å; S372-I374 PolarHBondContact OG-N 3.22Å; I374-D376 PolarHBondContact O-N 3.33Å; I374-V377 PolarHBondContact O-N 2.79Å; I374-L378 HydrophobicContact CG1-CD1 4.03Å; I374-L378 HydrophobicContact CG1-CG 4.14Å; I374-L378 WeakPolarHBondContact O-CB 3.47Å; I374-L378 VanDerWaalsContact O-CG 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.39Å; I374-L378 PolarHBondContact O-N 3.17Å |
| 375 | R | 73.7 | Confident | 70.4 | Confident | 184 Ų | 184 | 72.8 Ų | 72.8 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 179.9 | -166.6 | 173.2 | -172 | 159.3 | 3.6 | 111.9 | L373 V377 N379 | L373-R375 VanDerWaalsContact C-N 3.26Å; L373-R375 PolarHBondContact O-N 3.49Å; L373-R375 VanDerWaalsContact O-N 3.14Å; R375-V377 VanDerWaalsContact C-N 3.33Å; R375-N379 VanDerWaalsContact O-CG 3.3Å; R375-N379 PolarHBondContact O-N 3.27Å; R375-N379 PolarHBondContact O-ND2 3.11Å; R375-N379 VanDerWaalsContact O-ND2 3.12Å |
| 376 | D | 71.3 | Confident | 67.4 | Low | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 177 | -67.4 | -20.2 | 0 | 0 | 0 | 111.5 | L373 I374 K380 | L373-D376 PolarHBondContact O-N 3.33Å; I374-D376 PolarHBondContact O-N 3.33Å; D376-K380 WeakPolarHBondContact O-CG 3.39Å; D376-K380 PolarHBondContact O-N 3.49Å |
| 377 | V | 78.7 | Confident | 64.6 | Low | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.8 | -48 | -179.9 | 179 | 0 | 0 | 0 | 0 | 111.2 | V188 A190 A203 I205 F310 L373 I374 R375 N379 K380 V381 | V188-V377 HydrophobicContact CG1-CG1 3.89Å; A190-V377 HydrophobicContact CB-CG1 4.41Å; A190-V377 HydrophobicContact CB-CG2 3.56Å; A203-V377 HydrophobicContact CB-CG2 4.26Å; I205-V377 HydrophobicContact CD1-CB 4.22Å; I205-V377 HydrophobicContact CD1-CG1 3.96Å; I205-V377 HydrophobicContact CD1-CG2 4.02Å; I205-V377 HydrophobicContact CG1-CG1 4.09Å; I205-V377 HydrophobicContact CG1-CG2 3.99Å; I205-V377 HydrophobicContact CG2-CG1 3.86Å; F310-V377 HydrophobicContact CE1-CG1 4.26Å; F310-V377 HydrophobicContact CZ-CB 4.21Å; F310-V377 HydrophobicContact CZ-CG1 3.67Å; L373-V377 HydrophobicContact CB-CG2 4.21Å; L373-V377 WeakPolarHBondContact O-CG2 3.39Å; L373-V377 PolarHBondContact O-N 3.1Å; I374-V377 PolarHBondContact O-N 2.79Å; R375-V377 VanDerWaalsContact C-N 3.33Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 3.33Å; V377-K380 PolarHBondContact O-N 2.72Å; V377-V381 HydrophobicContact CG1-CG2 3.96Å; V377-V381 VanDerWaalsContact O-CG2 3.3Å; V377-V381 WeakPolarHBondContact O-CG2 3.34Å; V377-V381 PolarHBondContact O-N 3.05Å |
| 378 | L | 74.9 | Confident | 61.7 | Low | 15 Ų | 15 | 79.3 Ų | 79.3 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 179 | -71.9 | 173.2 | 0 | 0 | 0 | 111.2 | F310 I312 P326 Y328 I374 K380 V381 A382 | F310-L378 HydrophobicContact CE2-CD2 4.06Å; I312-L378 HydrophobicContact CD1-CD2 3.94Å; I312-L378 HydrophobicContact CG1-CD2 4.25Å; P326-L378 HydrophobicContact CB-CD2 4.32Å; P326-L378 HydrophobicContact CG-CB 4.25Å; P326-L378 HydrophobicContact CG-CD2 4Å; Y328-L378 HydrophobicContact CD1-CD1 3.88Å; Y328-L378 HydrophobicContact CE1-CD1 4.35Å; I374-L378 HydrophobicContact CG1-CD1 4.03Å; I374-L378 HydrophobicContact CG1-CG 4.14Å; I374-L378 WeakPolarHBondContact O-CB 3.47Å; I374-L378 VanDerWaalsContact O-CG 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.39Å; I374-L378 PolarHBondContact O-N 3.17Å; L378-K380 PolarHBondContact O-N 2.89Å; L378-V381 PolarHBondContact O-N 3.15Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 3.29Å; L378-A382 PolarHBondContact O-N 3.5Å |
| 379 | N | 71.4 | Confident | 59 | Low | 95 Ų | 95 | 80.5 Ų | 80.5 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.6 | -75.4 | -26.7 | 0 | 0 | 0 | 112.2 | R375 V377 V383 | R375-N379 VanDerWaalsContact O-CG 3.3Å; R375-N379 PolarHBondContact O-N 3.27Å; R375-N379 PolarHBondContact O-ND2 3.11Å; R375-N379 VanDerWaalsContact O-ND2 3.12Å; V377-N379 VanDerWaalsContact C-N 3.28Å; V377-N379 PolarHBondContact O-N 3.33Å; N379-V383 WeakPolarHBondContact O-CG2 3.47Å; N379-V383 PolarHBondContact O-N 3.49Å |
| 380 | K | 70 | Confident | 56.3 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 178.9 | -75.6 | 176.5 | 176.6 | 176 | 0 | 113.2 | I205 D376 V377 L378 V383 Q384 | I205-K380 HydrophobicContact CD1-CB 3.85Å; I205-K380 HydrophobicContact CD1-CD 3.67Å; I205-K380 HydrophobicContact CD1-CG 4.4Å; D376-K380 WeakPolarHBondContact O-CG 3.39Å; D376-K380 PolarHBondContact O-N 3.49Å; V377-K380 PolarHBondContact O-N 2.72Å; L378-K380 PolarHBondContact O-N 2.89Å; K380-V383 PolarHBondContact O-N 3.29Å; K380-Q384 PolarHBondContact O-N 3.22Å |
| 381 | V | 62.7 | Low | 53.7 | Low | 20 Ų | 20 | 88 Ų | 88 | 12% | 0.121 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | I205 I312 V377 L378 V383 Q384 G385 | I205-V381 HydrophobicContact CG2-CG2 4.21Å; I312-V381 HydrophobicContact CD1-CG1 4.01Å; V377-V381 HydrophobicContact CG1-CG2 3.96Å; V377-V381 VanDerWaalsContact O-CG2 3.3Å; V377-V381 WeakPolarHBondContact O-CG2 3.34Å; V377-V381 PolarHBondContact O-N 3.05Å; L378-V381 PolarHBondContact O-N 3.15Å; V381-V383 VanDerWaalsContact C-N 3.27Å; V381-V383 PolarHBondContact O-N 3.46Å; V381-Q384 PolarHBondContact O-N 2.98Å; V381-G385 PolarHBondContact O-N 3.21Å |
| 382 | A | 54 | Low | 51 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L378 | L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 3.29Å; L378-A382 PolarHBondContact O-N 3.5Å |
| 383 | V | 47 | Very low | 48.2 | Very low | 117 Ų | 117 | 98.1 Ų | 98.1 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.7 | -38.8 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | N379 K380 V381 G385 | N379-V383 WeakPolarHBondContact O-CG2 3.47Å; N379-V383 PolarHBondContact O-N 3.49Å; K380-V383 PolarHBondContact O-N 3.29Å; V381-V383 VanDerWaalsContact C-N 3.27Å; V381-V383 PolarHBondContact O-N 3.46Å; V383-G385 VanDerWaalsContact C-N 3.3Å; V383-G385 PolarHBondContact O-N 3.32Å |
| 384 | Q | 46.4 | Very low | 45.4 | Very low | 126 Ų | 126 | 106.7 Ų | 106.7 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.7 | -23 | 179.3 | -69.7 | -177.9 | -0.3 | 0 | 0 | 113.6 | N207 K380 V381 A386 | N207-Q384 PolarHBondContact ND2-OE1 2.85Å; K380-Q384 PolarHBondContact O-N 3.22Å; V381-Q384 PolarHBondContact O-N 2.98Å; Q384-A386 PolarHBondContact O-N 2.95Å |
| 385 | G | 29.6 | Very low | 42.5 | Very low | 56 Ų | 56 | 115.7 Ų | 115.7 | 58% | 0.577 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -0.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V381 V383 P387 | V381-G385 PolarHBondContact O-N 3.21Å; V383-G385 VanDerWaalsContact C-N 3.3Å; V383-G385 PolarHBondContact O-N 3.32Å; G385-P387 VanDerWaalsContact O-CD 3.26Å; G385-P387 WeakPolarHBondContact O-CD 3.42Å |
| 386 | A | 22.9 | Very low | 40 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 60% | 0.603 | 61% | 0.613 | S | S | * | * | trans | -88.5 | 107.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q384 N388 | Q384-A386 PolarHBondContact O-N 2.95Å; A386-N388 PolarHBondContact O-N 3.44Å | ||
| 387 | P | 23 | Very low | 37.6 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | trans | -66.4 | 135.4 | 176 | 28.5 | -32.1 | 0 | 0 | 0 | 109.1 | G385 L389 | G385-P387 VanDerWaalsContact O-CD 3.26Å; G385-P387 WeakPolarHBondContact O-CD 3.42Å; P387-L389 VanDerWaalsContact C-N 3.33Å; P387-L389 PolarHBondContact O-N 3.04Å | ||
| 388 | N | 21.3 | Very low | 34.8 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | trans | -29.1 | 84.3 | 172.8 | -77.4 | -26.1 | 0 | 0 | 0 | 114 | A386 Q390 | A386-N388 PolarHBondContact O-N 3.44Å; N388-Q390 PolarHBondContact O-N 3.21Å | ||
| 389 | L | 20.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | trans | -85.2 | 110.3 | 157.7 | -99.6 | 111.7 | 0 | 0 | 0 | 105.7 | P387 T391 | P387-L389 VanDerWaalsContact C-N 3.33Å; P387-L389 PolarHBondContact O-N 3.04Å; L389-T391 PolarHBondContact O-N 3.48Å | ||
| 390 | Q | 20.4 | Very low | 29.9 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -37 | 106.2 | 167.6 | -69.9 | 171.5 | -9.8 | 0 | 0 | 109.2 | N388 D392 | N388-Q390 PolarHBondContact O-N 3.21Å; Q390-D392 PolarHBondContact O-N 3.06Å | ||
| 391 | T | 21.1 | Very low | 27.6 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -69.8 | 104.4 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 107 | L389 K393 | L389-T391 PolarHBondContact O-N 3.48Å; T391-K393 PolarHBondContact O-N 3.17Å | ||
| 392 | D | 21.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -50.8 | 127.7 | 170.6 | -103.6 | -35.8 | 0 | 0 | 0 | 110.1 | Q390 K394 | Q390-D392 PolarHBondContact O-N 3.06Å; D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.12Å | ||
| 393 | K | 21.1 | Very low | 24.3 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -60.6 | 82.7 | 177.3 | -66.7 | 174.3 | 176.9 | 175.1 | 0 | 110.4 | T391 | T391-K393 PolarHBondContact O-N 3.17Š| ||
| 394 | K | 21.5 | Very low | 23.1 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -100 | 89.6 | 161.8 | -79.7 | -172.1 | 178.3 | 177.9 | 0 | 110 | D392 T396 | D392-K394 VanDerWaalsContact C-N 3.29Å; D392-K394 PolarHBondContact O-N 3.12Å; K394-T396 PolarHBondContact O-N 3.22Å; K394-T396 PolarHBondContact O-OG1 3.04Å | ||
| 395 | K | 20 | Very low | 21.8 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -33.7 | 100.1 | 155.1 | -66.7 | 174.8 | 175.4 | 179.3 | 0 | 109.9 | ||||
| 396 | T | 21.1 | Very low | 21.5 | Very low | 126 Ų | 126 | 161.5 Ų | 161.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -112.7 | 105.9 | 160.9 | 27 | 0 | 0 | 0 | 0 | 105.7 | K394 L398 | K394-T396 PolarHBondContact O-N 3.22Å; K394-T396 PolarHBondContact O-OG1 3.04Å; T396-L398 PolarHBondContact O-N 3.1Å | ||
| 397 | Q | 20.5 | Very low | 21.4 | Very low | 184 Ų | 184 | 164.5 Ų | 164.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -53.9 | 107.8 | 174.3 | -83.2 | 166.6 | -31.1 | 0 | 0 | 108.5 | N399 | Q397-N399 PolarHBondContact O-N 3.24Å; Q397-N399 VanDerWaalsContact O-N 3.09Å | ||
| 398 | L | 20.3 | Very low | 21.3 | Very low | 159 Ų | 159 | 164.5 Ų | 164.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -69.8 | 101.7 | 165.5 | -136.2 | 88.2 | 0 | 0 | 0 | 106.4 | T396 V400 | T396-L398 PolarHBondContact O-N 3.1Å; L398-V400 PolarHBondContact O-N 3.37Å | ||
| 399 | N | 20.4 | Very low | 21.3 | Very low | 152 Ų | 152 | 166.3 Ų | 166.3 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -63.8 | 101.4 | 167.1 | -98.9 | -17.3 | 0 | 0 | 0 | 107.5 | Q397 P401 | Q397-N399 PolarHBondContact O-N 3.24Å; Q397-N399 VanDerWaalsContact O-N 3.09Å; N399-P401 WeakPolarHBondContact O-CD 3.31Å | ||
| 400 | V | 21.5 | Very low | 21.4 | Very low | 114 Ų | 114 | 165.1 Ų | 165.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -68.6 | 109.5 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 108 | L398 K402 | L398-V400 PolarHBondContact O-N 3.37Å; V400-K402 PolarHBondContact O-N 3.1Å | ||
| 401 | P | 23.2 | Very low | 21.5 | Very low | 107 Ų | 107 | 160 Ų | 160 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | trans | -79.4 | 105 | 173 | -0.7 | 21.3 | 0 | 0 | 0 | 106.8 | N399 H403 | N399-P401 WeakPolarHBondContact O-CD 3.31Å; P401-H403 VanDerWaalsContact C-N 3.35Å; P401-H403 PolarHBondContact O-N 3.42Å | ||
| 402 | K | 21.7 | Very low | 21.7 | Very low | 191 Ų | 191 | 158.4 Ų | 158.4 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -66.9 | 92.4 | 165.2 | -71.5 | 179.4 | 176.2 | -179.8 | 0 | 108.5 | V400 | V400-K402 PolarHBondContact O-N 3.1Š| ||
| 403 | H | 24.3 | Very low | 21.7 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 83% | 0.833 | 82% | 0.821 | S | S | * | * | trans | -103 | 96.2 | 161.3 | -87.7 | -63.5 | 0 | 0 | 0 | 109.1 | P401 | P401-H403 VanDerWaalsContact C-N 3.35Å; P401-H403 PolarHBondContact O-N 3.42Å | ||
| 404 | E | 22 | Very low | 21.7 | Very low | 174 Ų | 174 | 157.3 Ų | 157.3 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -57.9 | 133.8 | 170.3 | -75.1 | 177.5 | 157.1 | 0 | 0 | 110.8 | K406 | E404-K406 PolarHBondContact O-N 3.34Š| ||
| 405 | R | 20.2 | Very low | 21.9 | Very low | 236 Ų | 236 | 155.2 Ų | 155.2 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -53.6 | 118.4 | 168.2 | -69.2 | 170.6 | 171.6 | 175.1 | -3.8 | 109.9 | ||||
| 406 | K | 22.7 | Very low | 21.9 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -119 | 92.6 | 150.5 | -79.4 | -171.7 | 178.1 | 178.6 | 0 | 108.7 | E404 S408 | E404-K406 PolarHBondContact O-N 3.34Å; K406-S408 PolarHBondContact O-N 3.39Å | ||
| 407 | T | 20.5 | Very low | 22 | Very low | 136 Ų | 136 | 154.4 Ų | 154.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -58.5 | 113.2 | 160.9 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 408 | S | 21.6 | Very low | 22.1 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -126 | 104.4 | 159.7 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | K406 T410 | K406-S408 PolarHBondContact O-N 3.39Å; S408-T410 PolarHBondContact O-N 3.01Å | ||
| 409 | F | 20.1 | Very low | 22.1 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -63.6 | 114.7 | 169.8 | -126.2 | -105.2 | 0 | 0 | 0 | 107.7 | ||||
| 410 | T | 24.5 | Very low | 22.2 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -133 | 107.3 | 158.7 | 49.4 | 0 | 0 | 0 | 0 | 108.1 | S408 | S408-T410 PolarHBondContact O-N 3.01Š| ||
| 411 | G | 21.7 | Very low | 22.2 | Very low | 82 Ų | 82 | 146 Ų | 146 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -71 | 126.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 412 | A | 24.8 | Very low | 22.1 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -123.4 | 94.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 413 | K | 22.7 | Very low | 22.2 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 21.8 | 115.6 | 145.7 | -69.7 | 177.5 | 175.9 | 178.3 | 0 | 118.5 | ||||
| 414 | T | 20.7 | Very low | 22 | Very low | 142 Ų | 142 | 146 Ų | 146 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -36.7 | 125.9 | 143.7 | 42.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 415 | T | 25.4 | Very low | 22.1 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -136.3 | 115.7 | 153.4 | 48.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 416 | G | 21.1 | Very low | 22.1 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -86.5 | 147.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 417 | R | 23.2 | Very low | 22.2 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -170.4 | 111.4 | 156.9 | -118.7 | -173.8 | 164.1 | 171.6 | -4.9 | 104.9 | ||||
| 418 | S | 21.7 | Very low | 22.2 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | 118.4 | 113.6 | 62.8 | 55 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 419 | T | 21.2 | Very low | 22 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -53.9 | 138.8 | 164.2 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 420 | S | 21.1 | Very low | 22.3 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -178.4 | 118.2 | 143.9 | 28.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 421 | A | 22.3 | Very low | 22.1 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 82% | 0.824 | S | S | * | * | 79.6 | 98.6 | 109.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 422 | L | 20.8 | Very low | 22.3 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | 51.6 | 85.9 | 90.6 | -84 | 161.7 | 0 | 0 | 0 | 112.7 | |||||
| 423 | E | 23.1 | Very low | 22.2 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -125.3 | 112.5 | 158.9 | -75.9 | -178.8 | 168.9 | 0 | 0 | 108 | ||||
| 424 | V | 21.6 | Very low | 22.5 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -95.2 | 102.8 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 425 | E | 23.6 | Very low | 22.7 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -112.5 | 108.2 | 169.3 | -75.6 | -162.5 | 155.7 | 0 | 0 | 110.1 | ||||
| 426 | T | 19.8 | Very low | 22.5 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -79.7 | 116.3 | 164.1 | 47.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 427 | G | 24.4 | Very low | 22.7 | Very low | 78 Ų | 78 | 158.7 Ų | 158.7 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -146.9 | 102.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 428 | E | 20.1 | Very low | 22.7 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -75.8 | 158.9 | 175.4 | -64.1 | -179.3 | 141 | 0 | 0 | 113 | ||||
| 429 | R | 18.9 | Very low | 22.9 | Very low | 227 Ų | 227 | 157.8 Ų | 157.8 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | trans | 72.7 | 121.1 | 155.3 | -75.4 | 174.6 | 170.1 | 177.4 | -1.5 | 119.1 | ||||
| 430 | S | 25.3 | Very low | 22.9 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | 152.1 | 124.4 | 109 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 431 | E | 21.4 | Very low | 23.1 | Very low | 190 Ų | 190 | 156.7 Ų | 156.7 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -60 | 133.6 | 176 | -62.8 | 157.5 | 128.9 | 0 | 0 | 113.5 | ||||
| 432 | I | 26 | Very low | 23.1 | Very low | 154 Ų | 154 | 160.6 Ų | 160.6 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | trans | -146.2 | 120.8 | 146.3 | -61.5 | -173.6 | 0 | 0 | 0 | 109.6 | ||||
| 433 | E | 22.4 | Very low | 23.2 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -53.6 | 130.3 | 173.6 | -59.1 | 173.1 | 135.5 | 0 | 0 | 113.5 | ||||
| 434 | R | 28.5 | Very low | 23.3 | Very low | 229 Ų | 229 | 157.1 Ų | 157.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -136.5 | 99.9 | 159.7 | -91.1 | -173.7 | -100.1 | -122.7 | -1.4 | 111.5 | ||||
| 435 | Q | 25.2 | Very low | 23.4 | Very low | 190 Ų | 190 | 157 Ų | 157 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | 30 | 112.3 | 139.6 | -66.4 | -179.7 | -11.8 | 0 | 0 | 119.2 | S437 | Q435-S437 PolarHBondContact O-N 3.26Š| ||
| 436 | K | 22 | Very low | 23.4 | Very low | 210 Ų | 210 | 157.1 Ų | 157.1 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -44.9 | 119.4 | 159.9 | -64.6 | 168.4 | 175.9 | 175.7 | 0 | 112.6 | ||||
| 437 | S | 24.7 | Very low | 23.5 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -120.9 | 118.1 | 154.1 | 60.8 | 0 | 0 | 0 | 0 | 109.2 | Q435 L439 | Q435-S437 PolarHBondContact O-N 3.26Å; S437-L439 PolarHBondContact O-N 3.13Å | ||
| 438 | N | 22.6 | Very low | 23.6 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -57 | 117.5 | -178.8 | -64.2 | -38.2 | 0 | 0 | 0 | 112.3 | ||||
| 439 | L | 25.6 | Very low | 24.1 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -130.1 | 98.2 | 156.3 | -102.4 | 149.1 | 0 | 0 | 0 | 107.1 | S437 S441 | S437-L439 PolarHBondContact O-N 3.13Å; L439-S441 VanDerWaalsContact C-N 3.35Å; L439-S441 PolarHBondContact O-N 3.4Å | ||
| 440 | T | 21.3 | Very low | 24.7 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 87.4 | 172.7 | 45.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 441 | S | 24.8 | Very low | 25.4 | Very low | 88 Ų | 88 | 155.8 Ų | 155.8 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | trans | -111 | 113.1 | 158.2 | 53.7 | 0 | 0 | 0 | 0 | 107.5 | L439 T443 | L439-S441 VanDerWaalsContact C-N 3.35Å; L439-S441 PolarHBondContact O-N 3.4Å; S441-T443 VanDerWaalsContact C-N 3.35Å; S441-T443 PolarHBondContact O-N 2.92Å; S441-T443 PolarHBondContact O-OG1 3.49Å | ||
| 442 | N | 22.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -48.4 | 96.5 | 175.2 | -69.9 | -22.4 | 0 | 0 | 0 | 109.8 | ||||
| 443 | T | 23.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -93.6 | 107.5 | 172.3 | -40.1 | 0 | 0 | 0 | 0 | 104.5 | S441 N445 | S441-T443 VanDerWaalsContact C-N 3.35Å; S441-T443 PolarHBondContact O-N 2.92Å; S441-T443 PolarHBondContact O-OG1 3.49Å; T443-N445 PolarHBondContact O-N 3.25Å | ||
| 444 | I | 25.9 | Very low | 30.1 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -59 | 119.3 | 169.1 | -68.6 | 169.1 | 0 | 0 | 0 | 105.5 | E446 | I444-E446 PolarHBondContact O-N 2.81Š| ||
| 445 | N | 22.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | -74.8 | 87.5 | -171 | -153.1 | 20.1 | 0 | 0 | 0 | 107.8 | T443 Q447 | T443-N445 PolarHBondContact O-N 3.25Å; N445-Q447 PolarHBondContact O-N 3.43Å | ||
| 446 | E | 25 | Very low | 35 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -72.8 | 75.2 | 160.9 | -76.7 | -176.4 | 174.8 | 0 | 0 | 107.6 | I444 | I444-E446 PolarHBondContact O-N 2.81Š| ||
| 447 | Q | 22 | Very low | 37.9 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | trans | -72.1 | 137.7 | 157.7 | -77.5 | -171.6 | -25.6 | 0 | 0 | 107.5 | N445 T449 | N445-Q447 PolarHBondContact O-N 3.43Å; Q447-T449 VanDerWaalsContact C-N 3.26Å; Q447-T449 PolarHBondContact O-N 2.99Å | ||
| 448 | P | 26.3 | Very low | 40.8 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -69 | 90.2 | 178.4 | 28.9 | -31.6 | 0 | 0 | 0 | 107.5 | D450 | P448-D450 PolarHBondContact O-N 3.46Å; P448-D450 VanDerWaalsContact O-N 3.07Å | ||
| 449 | T | 29.6 | Very low | 43.9 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -65.3 | 112.1 | 177.5 | 42.9 | 0 | 0 | 0 | 0 | 108.3 | Q447 | Q447-T449 VanDerWaalsContact C-N 3.26Å; Q447-T449 PolarHBondContact O-N 2.99Å | ||
| 450 | D | 31.7 | Very low | 47 | Very low | 147 Ų | 147 | 108.8 Ų | 108.8 | 79% | 0.786 | 59% | 0.589 | S | S | * | * | trans | -16.5 | 129.5 | 156.9 | -68.4 | -51 | 0 | 0 | 0 | 113.5 | P448 V452 | P448-D450 PolarHBondContact O-N 3.46Å; P448-D450 VanDerWaalsContact O-N 3.07Å; D450-V452 VanDerWaalsContact C-N 3.31Å; D450-V452 PolarHBondContact O-N 3.15Å | ||
| 451 | Q | 40.5 | Very low | 50.1 | Low | 186 Ų | 186 | 104.7 Ų | 104.7 | 87% | 0.869 | 56% | 0.562 | S | S | * | * | trans | 0.6 | 75.3 | 160.9 | -62.5 | 178.3 | 9.3 | 0 | 0 | 114.2 | Q453 | Q451-Q453 PolarHBondContact O-N 3.05Š| ||
| 452 | V | 44.6 | Very low | 53.1 | Low | 120 Ų | 120 | 106 Ų | 106 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | trans | -73.3 | 87.9 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 104.8 | D450 N454 | D450-V452 VanDerWaalsContact C-N 3.31Å; D450-V452 PolarHBondContact O-N 3.15Å; V452-N454 PolarHBondContact O-N 3.41Å | ||
| 453 | Q | 54.5 | Low | 56.1 | Low | 144 Ų | 144 | 99.5 Ų | 99.5 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | trans | -53.6 | 117.1 | 165.5 | -111 | 166.9 | -25.8 | 0 | 0 | 106.1 | Q451 T455 | Q451-Q453 PolarHBondContact O-N 3.05Å; Q453-T455 HydrophobicContact CB-CG2 4.48Å; Q453-T455 PolarHBondContact O-N 2.92Å | ||
| 454 | N | 68.6 | Low | 59.2 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 22% | 0.219 | 52% | 0.518 | C | S | . | . | trans | -68.3 | 77.8 | 173.7 | -177.6 | -9.2 | 0 | 0 | 0 | 108 | H331 V452 E456 A457 Q458 | H331-N454 PolarHBondContact O-ND2 3.16Å; V452-N454 PolarHBondContact O-N 3.41Å; N454-E456 PolarHBondContact O-N 3.3Å; N454-A457 HydrophobicContact CB-CB 4.28Å; N454-A457 VanDerWaalsContact ND2-CB 3.32Å; N454-A457 WeakPolarHBondContact ND2-CB 3.12Å; N454-A457 PolarHBondContact O-N 3.22Å; N454-A457 VanDerWaalsContact O-N 3.1Å; N454-A457 VanDerWaalsContact OD1-CB 3.31Å; N454-A457 WeakPolarHBondContact OD1-CB 3.28Å; N454-A457 PolarHBondContact OD1-N 2.92Å; N454-A457 VanDerWaalsContact OD1-N 3.17Å; N454-Q458 PolarHBondContact O-N 3.41Å | ||
| 455 | T | 75.4 | Confident | 62.4 | Low | 106 Ų | 106 | 91 Ų | 91 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.4 | -171.9 | 45 | 0 | 0 | 0 | 0 | 112.3 | Q453 | Q453-T455 HydrophobicContact CB-CG2 4.48Å; Q453-T455 PolarHBondContact O-N 2.92Å |
| 456 | E | 81.3 | Confident | 65.7 | Low | 76 Ų | 76 | 85 Ų | 85 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -46.7 | 175 | -65 | -177.9 | 174.9 | 0 | 0 | 111.8 | T329 H330 N454 Q458 Q459 | T329-E456 WeakPolarHBondContact CA-OE2 3.39Å; T329-E456 WeakPolarHBondContact CB-OE2 3.4Å; H330-E456 PolarHBondContact N-OE2 3.38Å; H330-E456 VanDerWaalsContact N-OE2 3.12Å; H330-E456 IonicContact ND1-OE2 3.84Å; N454-E456 PolarHBondContact O-N 3.3Å; E456-Q458 VanDerWaalsContact C-N 3.29Å; E456-Q458 PolarHBondContact O-N 2.97Å; E456-Q459 VanDerWaalsContact O-CB 3.29Å; E456-Q459 WeakPolarHBondContact O-CB 3.46Å; E456-Q459 VanDerWaalsContact O-CG 3.22Å; E456-Q459 WeakPolarHBondContact O-CG 3.49Å; E456-Q459 PolarHBondContact O-N 2.98Å |
| 457 | A | 83.1 | Confident | 68.9 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -20.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H331 P357 N454 Q459 Y460 | H331-A457 WeakPolarHBondContact O-CB 3.45Å; P357-A457 HydrophobicContact CB-CB 3.81Å; N454-A457 HydrophobicContact CB-CB 4.28Å; N454-A457 VanDerWaalsContact ND2-CB 3.32Å; N454-A457 WeakPolarHBondContact ND2-CB 3.12Å; N454-A457 PolarHBondContact O-N 3.22Å; N454-A457 VanDerWaalsContact O-N 3.1Å; N454-A457 VanDerWaalsContact OD1-CB 3.31Å; N454-A457 WeakPolarHBondContact OD1-CB 3.28Å; N454-A457 PolarHBondContact OD1-N 2.92Å; N454-A457 VanDerWaalsContact OD1-N 3.17Å; A457-Q459 PolarHBondContact O-N 2.99Å; A457-Q459 VanDerWaalsContact O-N 3.14Å; A457-Y460 HydrophobicContact CB-CD2 4.29Å; A457-Y460 WeakPolarHBondContact O-CB 3.41Å; A457-Y460 WeakPolarHBondContact O-CD2 3.16Å; A457-Y460 PolarHBondContact O-N 3.17Å |
| 458 | Q | 86.6 | Confident | 72.2 | Confident | 58 Ų | 58 | 70 Ų | 70 | 27% | 0.271 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55 | -28.9 | 171.9 | -172 | 59.2 | 40.9 | 0 | 0 | 111.7 | N454 E456 Y460 L461 D462 | N454-Q458 PolarHBondContact O-N 3.41Å; E456-Q458 VanDerWaalsContact C-N 3.29Å; E456-Q458 PolarHBondContact O-N 2.97Å; Q458-Y460 PolarHBondContact O-N 3.39Å; Q458-L461 WeakPolarHBondContact O-CB 3.4Å; Q458-L461 PolarHBondContact O-N 3.25Å; Q458-D462 PolarHBondContact NE2-OD1 3.49Å; Q458-D462 PolarHBondContact O-N 3.39Å; Q458-D462 VanDerWaalsContact O-N 3.12Å |
| 459 | Q | 87.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 64 Ų | 64 | 23% | 0.234 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -28.3 | 176.5 | -59 | 173 | 25.5 | 0 | 0 | 113.6 | P176 T178 E456 A457 L461 A463 | P176-Q459 HydrophobicContact CB-CB 3.92Å; P176-Q459 HydrophobicContact CG-CB 4.03Å; T178-Q459 PolarHBondContact OG1-OE1 3.45Å; E456-Q459 VanDerWaalsContact O-CB 3.29Å; E456-Q459 WeakPolarHBondContact O-CB 3.46Å; E456-Q459 VanDerWaalsContact O-CG 3.22Å; E456-Q459 WeakPolarHBondContact O-CG 3.49Å; E456-Q459 PolarHBondContact O-N 2.98Å; A457-Q459 PolarHBondContact O-N 2.99Å; A457-Q459 VanDerWaalsContact O-N 3.14Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; Q459-A463 WeakPolarHBondContact O-CB 3.41Å; Q459-A463 PolarHBondContact O-N 2.9Å |
| 460 | Y | 90.2 | Very high | 78.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 173.2 | -71.5 | -59.8 | 0 | 0 | 0 | 111.4 | P176 F179 V309 H330 I355 A457 Q458 Q464 S465 | P176-Y460 HydrophobicContact CG-CD1 3.67Å; P176-Y460 HydrophobicContact CG-CE1 3.89Å; P176-Y460 HydrophobicContact CG-CG 4.33Å; F179-Y460 AromaticContact CE2-CE1 3.94Å; F179-Y460 HydrophobicContact CE2-CE1 3.94Å; F179-Y460 AromaticContact CZ-CE1 3.97Å; F179-Y460 HydrophobicContact CZ-CE1 3.97Å; F179-Y460 AromaticContact CZ-CZ 3.87Å; F179-Y460 WeakPolarHBondContact CZ-OH 3.32Å; V309-Y460 HydrophobicContact CG2-CE2 4.4Å; H330-Y460 HydrophobicContact CB-CE2 4.09Å; H330-Y460 WeakPolarHBondContact O-CE2 3.34Å; H330-Y460 PolarHBondContact O-OH 3.07Å; I355-Y460 HydrophobicContact CB-CG 4.36Å; I355-Y460 HydrophobicContact CD1-CD1 4.43Å; I355-Y460 HydrophobicContact CG2-CD1 4.21Å; I355-Y460 HydrophobicContact CG2-CD2 3.8Å; I355-Y460 HydrophobicContact CG2-CE2 4.33Å; I355-Y460 HydrophobicContact CG2-CG 3.72Å; A457-Y460 HydrophobicContact CB-CD2 4.29Å; A457-Y460 WeakPolarHBondContact O-CB 3.41Å; A457-Y460 WeakPolarHBondContact O-CD2 3.16Å; A457-Y460 PolarHBondContact O-N 3.17Å; Q458-Y460 PolarHBondContact O-N 3.39Å; Y460-Q464 PolarHBondContact O-N 2.82Å; Y460-S465 WeakPolarHBondContact CA-OG 3.47Å; Y460-S465 WeakPolarHBondContact O-CB 3.44Å; Y460-S465 PolarHBondContact O-N 2.96Å; Y460-S465 PolarHBondContact O-OG 3.05Å |
| 461 | L | 86 | Confident | 81 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.8 | -45.3 | 179.1 | -166.6 | 70.9 | 0 | 0 | 0 | 110.6 | Y356 Q458 Q459 A463 Q464 | Y356-L461 HydrophobicContact CD1-CD1 4.16Å; Y356-L461 HydrophobicContact CE1-CD1 4.34Å; Q458-L461 WeakPolarHBondContact O-CB 3.4Å; Q458-L461 PolarHBondContact O-N 3.25Å; Q459-L461 VanDerWaalsContact C-N 3.29Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.33Å; L461-Q464 PolarHBondContact O-N 2.94Å |
| 462 | D | 87.4 | Confident | 83.4 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.9 | -37.9 | -178.8 | -58 | -15.9 | 0 | 0 | 0 | 111.6 | Q458 Q464 | Q458-D462 PolarHBondContact NE2-OD1 3.49Å; Q458-D462 PolarHBondContact O-N 3.39Å; Q458-D462 VanDerWaalsContact O-N 3.12Å; D462-Q464 PolarHBondContact O-N 3.23Å |
| 463 | A | 86.2 | Confident | 85.6 | Confident | 29 Ų | 29 | 39 Ų | 39 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | N174 Q459 L461 S465 | N174-A463 WeakPolarHBondContact CB-O 3.1Å; N174-A463 WeakPolarHBondContact O-CB 3.39Å; Q459-A463 WeakPolarHBondContact O-CB 3.41Å; Q459-A463 PolarHBondContact O-N 2.9Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.33Å; A463-S465 VanDerWaalsContact C-N 3.26Å; A463-S465 PolarHBondContact O-N 2.97Å |
| 464 | Q | 88.2 | Confident | 87.2 | Confident | 100 Ų | 100 | 35.3 Ų | 35.3 | 47% | 0.467 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 47.6 | -168.4 | -59.7 | -178.4 | -22 | 0 | 0 | 111.4 | N174 L266 Y460 L461 D462 | N174-Q464 PolarHBondContact ND2-O 3.04Å; L266-Q464 HydrophobicContact CD1-CB 4.34Å; Y460-Q464 PolarHBondContact O-N 2.82Å; L461-Q464 PolarHBondContact O-N 2.94Å; D462-Q464 PolarHBondContact O-N 3.23Å |
| 465 | S | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -68 | 140.5 | 177.9 | -55 | 0 | 0 | 0 | 0 | 111.2 | Q173 N174 I355 Y460 A463 | Q173-S465 WeakPolarHBondContact O-CA 3.34Å; N174-S465 WeakPolarHBondContact O-CA 3.46Å; N174-S465 WeakPolarHBondContact O-CB 3.27Å; N174-S465 PolarHBondContact O-OG 2.65Å; I355-S465 PolarHBondContact N-O 2.73Å; Y460-S465 WeakPolarHBondContact CA-OG 3.47Å; Y460-S465 WeakPolarHBondContact O-CB 3.44Å; Y460-S465 PolarHBondContact O-N 2.96Å; Y460-S465 PolarHBondContact O-OG 3.05Å; A463-S465 VanDerWaalsContact C-N 3.26Å; A463-S465 PolarHBondContact O-N 2.97Å | ||
| 466 | F | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152.7 | 176.9 | 61.5 | -91.6 | 0 | 0 | 0 | 111.7 | I172 Q173 N174 F258 L266 A270 A352 Y353 M468 | I172-F466 WeakPolarHBondContact CA-O 3.43Å; Q173-F466 HydrophobicContact CB-CD2 4.13Å; Q173-F466 HydrophobicContact CB-CE1 3.97Å; Q173-F466 HydrophobicContact CB-CE2 3.5Å; Q173-F466 VanDerWaalsContact CB-CE2 3.5Å; Q173-F466 HydrophobicContact CB-CZ 3.45Å; Q173-F466 VanDerWaalsContact CB-CZ 3.45Å; Q173-F466 HydrophobicContact CG-CD2 4.49Å; Q173-F466 HydrophobicContact CG-CE2 3.75Å; Q173-F466 HydrophobicContact CG-CZ 4.08Å; Q173-F466 PolarHBondContact N-O 3.29Å; Q173-F466 PolarHBondContact O-N 3.19Å; N174-F466 HydrophobicContact CB-CE1 4.47Å; F258-F466 HydrophobicContact CD2-CB 3.48Å; F258-F466 VanDerWaalsContact CD2-CB 3.48Å; F258-F466 AromaticContact CD2-CD1 3.84Å; F258-F466 HydrophobicContact CD2-CD1 3.84Å; F258-F466 AromaticContact CD2-CG 3.78Å; F258-F466 HydrophobicContact CD2-CG 3.78Å; F258-F466 HydrophobicContact CE2-CB 3.78Å; F258-F466 HydrophobicContact CE2-CD1 4.16Å; F258-F466 HydrophobicContact CE2-CG 4.31Å; L266-F466 HydrophobicContact CD2-CD1 3.96Å; L266-F466 HydrophobicContact CD2-CE1 3.37Å; L266-F466 HydrophobicContact CD2-CZ 4.17Å; A270-F466 HydrophobicContact CB-CE1 4.22Å; A270-F466 HydrophobicContact CB-CZ 4Å; A352-F466 HydrophobicContact CB-CD2 3.9Å; A352-F466 HydrophobicContact CB-CE2 4.34Å; Y353-F466 CarbonylContact O-C 3.59Å; Y353-F466 WeakPolarHBondContact O-CA 3.19Å; Y353-F466 WeakPolarHBondContact O-CB 3.25Å; F466-M468 HydrophobicContact CD2-SD 4.5Å; F466-M468 HydrophobicContact CE2-SD 4.39Å |
| 467 | M | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.4 | -178.9 | -164.1 | 175 | -134.6 | 0 | 0 | 110.8 | I169 S171 I172 A189 W279 V307 V309 Y353 I355 L469 | I169-M467 HydrophobicContact CG2-CE 3.91Å; S171-M467 CarbonylContact O-C 3.57Å; S171-M467 WeakPolarHBondContact O-CA 3.22Å; I172-M467 HydrophobicContact CD1-CE 4.09Å; I172-M467 HydrophobicContact CG1-CB 4.31Å; I172-M467 HydrophobicContact CG1-CE 3.83Å; I172-M467 HydrophobicContact CG1-CG 4.04Å; A189-M467 HydrophobicContact CB-CE 3.64Å; W279-M467 HydrophobicContact CE3-CE 4.33Å; W279-M467 HydrophobicContact CH2-CE 3.88Å; W279-M467 HydrophobicContact CZ3-CE 3.66Å; V307-M467 HydrophobicContact CG1-SD 3.95Å; V309-M467 HydrophobicContact CG1-CE 3.48Å; V309-M467 VanDerWaalsContact CG1-CE 3.48Å; V309-M467 HydrophobicContact CG1-SD 3.89Å; Y353-M467 PolarHBondContact N-O 2.96Å; Y353-M467 PolarHBondContact O-N 2.81Å; I355-M467 HydrophobicContact CD1-CB 4.24Å; I355-M467 HydrophobicContact CG1-CB 4.33Å; M467-L469 HydrophobicContact CB-CG 4.42Å; M467-L469 HydrophobicContact CG-CD1 4.34Å; M467-L469 HydrophobicContact CG-CD2 4Å; M467-L469 HydrophobicContact CG-CG 3.9Å; M467-L469 HydrophobicContact SD-CD1 4.03Å; M467-L469 HydrophobicContact SD-CD2 3.75Å; M467-L469 HydrophobicContact SD-CG 4.02Å |
| 468 | M | 90.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.7 | 170.7 | -71.3 | -53.2 | -63.2 | 0 | 0 | 110.1 | E170 S171 R267 A352 F466 | E170-M468 HydrophobicContact CB-CB 3.73Å; E170-M468 HydrophobicContact CG-CB 4.37Å; E170-M468 PolarHBondContact N-O 3.39Å; S171-M468 PolarHBondContact O-N 3.2Å; R267-M468 PolarHBondContact NH1-SD 2.86Å; R267-M468 PolarHBondContact NH2-SD 3.45Å; R267-M468 VanDerWaalsContact NH2-SD 3.35Å; A352-M468 HydrophobicContact CB-SD 3.75Å; F466-M468 HydrophobicContact CD2-SD 4.5Å; F466-M468 HydrophobicContact CE2-SD 4.39Å |
| 469 | L | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.9 | -178.2 | -63.4 | 172.7 | 0 | 0 | 0 | 110.2 | I169 V307 V336 R350 G351 Y353 M467 F471 | I169-L469 HydrophobicContact CB-CD2 4.29Å; I169-L469 HydrophobicContact CG1-CD2 3.91Å; I169-L469 HydrophobicContact CG2-CD2 4.19Å; V307-L469 HydrophobicContact CB-CD1 4.16Å; V307-L469 HydrophobicContact CG1-CD1 4.26Å; V307-L469 HydrophobicContact CG2-CD1 3.77Å; V336-L469 HydrophobicContact CG2-CD1 3.56Å; R350-L469 WeakPolarHBondContact CA-O 3.44Å; G351-L469 PolarHBondContact N-O 2.92Å; G351-L469 PolarHBondContact O-N 3.17Å; Y353-L469 HydrophobicContact CD2-CB 3.93Å; Y353-L469 HydrophobicContact CD2-CD1 4.07Å; Y353-L469 HydrophobicContact CD2-CG 4.32Å; Y353-L469 HydrophobicContact CE2-CB 4Å; M467-L469 HydrophobicContact CB-CG 4.42Å; M467-L469 HydrophobicContact CG-CD1 4.34Å; M467-L469 HydrophobicContact CG-CD2 4Å; M467-L469 HydrophobicContact CG-CG 3.9Å; M467-L469 HydrophobicContact SD-CD1 4.03Å; M467-L469 HydrophobicContact SD-CD2 3.75Å; M467-L469 HydrophobicContact SD-CG 4.02Å; L469-F471 HydrophobicContact CB-CE2 4.14Å; L469-F471 HydrophobicContact CD1-CE2 4.49Å |
| 470 | E | 90.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.8 | 171 | 170.5 | -171.3 | -170.7 | 0 | 0 | 109.3 | N168 Y224 V349 R350 R472 | N168-E470 HydrophobicContact CB-CB 4.1Å; N168-E470 PolarHBondContact N-O 3.42Å; N168-E470 VanDerWaalsContact ND2-CD 3.28Å; N168-E470 PolarHBondContact ND2-OE2 2.88Å; N168-E470 PolarHBondContact O-N 3.4Å; N168-E470 VanDerWaalsContact O-N 3.1Å; Y224-E470 PolarHBondContact OH-OE2 3.46Å; V349-E470 CarbonylContact O-C 3.5Å; V349-E470 WeakPolarHBondContact O-CA 3.48Å; R350-E470 HydrophobicContact CB-CB 4.01Å; R350-E470 HydrophobicContact CB-CG 4.09Å; R350-E470 HydrophobicContact CG-CB 3.89Å; R350-E470 HydrophobicContact CG-CG 4.36Å; E470-R472 IonicContact OE1-CZ 2.64Å; E470-R472 IonicContact OE1-NH1 2.77Å; E470-R472 PolarHBondContact OE1-NH1 2.95Å; E470-R472 IonicContact OE1-NH2 2.97Å; E470-R472 PolarHBondContact OE1-NH2 3.32Å |
| 471 | F | 91.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.7 | 169.8 | -66 | -99.4 | 0 | 0 | 0 | 107.1 | Y166 V167 L191 L305 V307 V336 L338 L341 Y348 V349 L469 | Y166-F471 CarbonylContact O-C 3.57Å; Y166-F471 WeakPolarHBondContact O-CA 3.24Å; V167-F471 HydrophobicContact CB-CD1 4.47Å; V167-F471 HydrophobicContact CB-CE1 4.46Å; V167-F471 HydrophobicContact CG1-CD1 4.06Å; V167-F471 HydrophobicContact CG1-CE1 3.67Å; V167-F471 HydrophobicContact CG1-CZ 4.07Å; V167-F471 HydrophobicContact CG2-CD1 3.85Å; V167-F471 HydrophobicContact CG2-CE1 4Å; L191-F471 HydrophobicContact CD1-CE1 4.38Å; L191-F471 HydrophobicContact CD2-CZ 4.3Å; L305-F471 HydrophobicContact CD2-CE1 3.82Å; L305-F471 HydrophobicContact CD2-CZ 4.03Å; V307-F471 HydrophobicContact CG2-CZ 4.5Å; V336-F471 HydrophobicContact CB-CE2 4.42Å; V336-F471 HydrophobicContact CG1-CD2 4.17Å; V336-F471 HydrophobicContact CG1-CE2 3.75Å; V336-F471 HydrophobicContact CG2-CE2 4.25Å; L338-F471 HydrophobicContact CD2-CB 4.26Å; L338-F471 HydrophobicContact CD2-CD1 4.32Å; L338-F471 HydrophobicContact CD2-CD2 3.91Å; L338-F471 HydrophobicContact CD2-CE2 4.34Å; L338-F471 HydrophobicContact CD2-CG 3.9Å; L341-F471 HydrophobicContact CD1-CB 4.47Å; Y348-F471 CarbonylContact C-O 3.45Å; Y348-F471 WeakPolarHBondContact CA-O 3.28Å; V349-F471 PolarHBondContact N-O 3.12Å; V349-F471 PolarHBondContact O-N 2.74Å; L469-F471 HydrophobicContact CB-CE2 4.14Å; L469-F471 HydrophobicContact CD1-CE2 4.49Å |
| 472 | R | 89.9 | Confident | 89.2 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148 | 176 | 171.1 | -178.6 | -80.6 | 124.5 | 2.9 | 110.1 | I165 Y166 I246 L250 D347 E470 | I165-R472 CarbonylContact C-O 3.37Å; I165-R472 WeakPolarHBondContact CA-O 3.46Å; Y166-R472 HydrophobicContact CD2-CB 4.35Å; Y166-R472 HydrophobicContact CD2-CG 4.1Å; Y166-R472 PolarHBondContact N-O 3.05Å; Y166-R472 PolarHBondContact O-N 2.9Å; I246-R472 VanDerWaalsContact CG2-NH2 3.28Å; L250-R472 VanDerWaalsContact CD1-NH2 3.34Å; D347-R472 CarbonylContact O-C 3.23Å; D347-R472 WeakPolarHBondContact O-CA 3.29Å; E470-R472 IonicContact OE1-CZ 2.64Å; E470-R472 IonicContact OE1-NH1 2.77Å; E470-R472 PolarHBondContact OE1-NH1 2.95Å; E470-R472 IonicContact OE1-NH2 2.97Å; E470-R472 PolarHBondContact OE1-NH2 3.32Å |
| 473 | L | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 146.4 | 171.4 | -66.9 | 163.2 | 0 | 0 | 0 | 109.1 | I164 I165 L287 L341 D347 K475 L477 | I164-L473 CarbonylContact O-C 3.55Å; I164-L473 WeakPolarHBondContact O-CA 3.43Å; I165-L473 HydrophobicContact CB-CD2 3.7Å; I165-L473 HydrophobicContact CD1-CD2 4.2Å; I165-L473 HydrophobicContact CG1-CD2 3.84Å; L287-L473 HydrophobicContact CD1-CD2 4.1Å; L341-L473 HydrophobicContact CD1-CD1 4.48Å; L341-L473 HydrophobicContact CD2-CD1 4.31Å; D347-L473 PolarHBondContact O-N 2.78Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 WeakPolarHBondContact CB-O 3.41Å; L473-L477 HydrophobicContact CD1-CD1 4.08Å; L473-L477 HydrophobicContact CD1-CD2 3.82Å; L473-L477 HydrophobicContact CD1-CG 3.46Å; L473-L477 VanDerWaalsContact CD1-CG 3.46Å |
| 474 | E | 87.6 | Confident | 88.9 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -67.1 | -37.1 | 174.2 | -171.2 | 72.4 | -165.1 | 0 | 0 | 111.5 | K117 N163 I164 Y166 | K117-E474 WeakPolarHBondContact CE-OE1 3.32Å; K117-E474 IonicContact NZ-OE1 3.81Å; K117-E474 PolarHBondContact NZ-OE1 2.88Å; K117-E474 IonicContact NZ-OE2 3.37Å; K117-E474 PolarHBondContact NZ-OE2 3.3Å; N163-E474 PolarHBondContact OD1-N 3.4Å; I164-E474 HydrophobicContact CB-CB 4.17Å; I164-E474 PolarHBondContact O-N 3.37Å; Y166-E474 HydrophobicContact CE2-CB 4.29Å; Y166-E474 WeakPolarHBondContact CE2-OE2 3.49Å; Y166-E474 PolarHBondContact OH-OE2 3.37Å |
| 475 | K | 90.3 | Very high | 88.8 | Confident | 50 Ų | 50 | 52 Ų | 52 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -126.1 | 137.2 | 175.6 | -61.8 | 177.3 | 179.3 | -177.4 | 0 | 108.6 | Y159 E160 N163 L473 | Y159-K475 PolarHBondContact O-NZ 3.24Å; E160-K475 IonicContact OE1-NZ 3.63Å; E160-K475 PolarHBondContact OE1-NZ 2.91Å; E160-K475 IonicContact OE2-NZ 2.91Å; E160-K475 PolarHBondContact OE2-NZ 3.39Å; N163-K475 PolarHBondContact ND2-O 2.99Å; N163-K475 PolarHBondContact OD1-N 2.87Å; N163-K475 PolarHBondContact OD1-O 3.25Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 WeakPolarHBondContact CB-O 3.41Å |
| 476 | P | 90.7 | Very high | 88.4 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 25% | 0.253 | 25% | 0.246 | S | C | . | . | trans | -61.5 | 143.5 | 178.6 | 25.6 | -34.3 | 0 | 0 | 0 | 110.9 | V346 D347 V478 | V346-P476 WeakPolarHBondContact O-CB 3.29Å; D347-P476 HydrophobicContact CB-CB 4.13Å; P476-V478 VanDerWaalsContact C-N 3.29Å; P476-V478 PolarHBondContact O-N 3.33Å | ||
| 477 | L | 87.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -62.2 | -40.9 | 179.5 | -70.9 | -178.9 | 0 | 0 | 0 | 111.3 | L295 K296 I299 L341 L342 L473 | L295-L477 HydrophobicContact CD2-CD1 4.48Å; K296-L477 WeakPolarHBondContact CE-O 3.22Å; K296-L477 HydrophobicContact CG-CB 4.38Å; K296-L477 HydrophobicContact CG-CD1 4.05Å; K296-L477 PolarHBondContact NZ-O 3.38Å; I299-L477 HydrophobicContact CD1-CD1 4.36Å; L341-L477 HydrophobicContact CB-CD1 4.25Å; L342-L477 HydrophobicContact CD2-CD1 4.12Å; L473-L477 HydrophobicContact CD1-CD1 4.08Å; L473-L477 HydrophobicContact CD1-CD2 3.82Å; L473-L477 HydrophobicContact CD1-CG 3.46Å; L473-L477 VanDerWaalsContact CD1-CG 3.46Å |
| 478 | V | 88.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -111.8 | 114.4 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | L342 P344 G345 P476 K480 | L342-V478 VanDerWaalsContact O-CG2 3.29Å; L342-V478 WeakPolarHBondContact O-CG2 3.47Å; P344-V478 HydrophobicContact CB-CG1 4.21Å; P344-V478 HydrophobicContact CG-CG1 4.12Å; G345-V478 PolarHBondContact N-O 3.34Å; P476-V478 VanDerWaalsContact C-N 3.29Å; P476-V478 PolarHBondContact O-N 3.33Å; V478-K480 PolarHBondContact O-N 2.97Å |
| 479 | K | 87 | Confident | 87.6 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 132.2 | 177.9 | -66.2 | -173 | 177.6 | -171.1 | 0 | 109 | ||
| 480 | K | 85.5 | Confident | 87.3 | Confident | 146 Ų | 146 | 66.4 Ų | 66.4 | 64% | 0.635 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 134.1 | 171 | -169.2 | 171.5 | 178.2 | 176.4 | 0 | 109.3 | P344 V478 | P344-K480 HydrophobicContact CB-CB 4.33Å; P344-K480 HydrophobicContact CB-CG 4.42Å; V478-K480 PolarHBondContact O-N 2.97Å |
| 481 | R | 87.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 138 | 170.5 | -64.3 | 171.5 | 176.7 | -166.6 | -8.5 | 109.2 | E485 I486 D725 E728 | R481-E485 WeakPolarHBondContact CA-OE2 3.32Å; R481-I486 HydrophobicContact CB-CD1 4.05Å; R481-I486 HydrophobicContact CB-CG1 3.93Å; R481-D725 IonicContact CZ-OD1 3.45Å; R481-D725 IonicContact NH1-OD1 3.25Å; R481-D725 PolarHBondContact NH1-OD1 2.93Å; R481-E728 WeakPolarHBondContact CD-OE2 3.38Å; R481-E728 IonicContact CZ-OE2 2.67Å; R481-E728 IonicContact NE-OE2 3.68Å; R481-E728 IonicContact NH1-OE2 3.82Å; R481-E728 PolarHBondContact NH1-OE2 2.94Å |
| 482 | T | 86 | Confident | 86.9 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 154.7 | 175.9 | 68.3 | 0 | 0 | 0 | 0 | 110 | E484 E485 I486 | T482-E484 PolarHBondContact O-N 3.05Å; T482-E485 PolarHBondContact N-OE2 3.09Å; T482-E485 VanDerWaalsContact N-OE2 3.15Å; T482-E485 PolarHBondContact O-N 3.42Å; T482-E485 VanDerWaalsContact O-N 3.17Å; T482-E485 WeakPolarHBondContact OG1-CB 3.47Å; T482-E485 WeakPolarHBondContact OG1-CG 3.2Å; T482-E485 PolarHBondContact OG1-N 3.4Å; T482-E485 VanDerWaalsContact OG1-N 3.15Å; T482-I486 WeakPolarHBondContact O-CG1 3.31Å; T482-I486 PolarHBondContact O-N 3.46Å; T482-I486 VanDerWaalsContact O-N 3.09Å |
| 483 | L | 82.2 | Confident | 86.6 | Confident | 76 Ų | 76 | 74.2 Ų | 74.2 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | 176 | -178.5 | 61.8 | 0 | 0 | 0 | 111.2 | I486 D487 | L483-I486 PolarHBondContact O-N 3.44Å; L483-D487 VanDerWaalsContact O-CB 3.32Å; L483-D487 WeakPolarHBondContact O-CB 3.47Å; L483-D487 PolarHBondContact O-N 3.08Å |
| 484 | E | 83.7 | Confident | 86.2 | Confident | 161 Ų | 161 | 74.9 Ų | 74.9 | 75% | 0.752 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 176.7 | -63.4 | 173.1 | -179 | 0 | 0 | 112.5 | T482 Q488 | T482-E484 PolarHBondContact O-N 3.05Å; E484-Q488 WeakPolarHBondContact O-CB 3.44Å; E484-Q488 PolarHBondContact O-N 3.17Å |
| 485 | E | 85.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.2 | -75.8 | 167.5 | -178.9 | 0 | 0 | 111.5 | R481 T482 K489 | R481-E485 WeakPolarHBondContact CA-OE2 3.32Å; T482-E485 PolarHBondContact N-OE2 3.09Å; T482-E485 VanDerWaalsContact N-OE2 3.15Å; T482-E485 PolarHBondContact O-N 3.42Å; T482-E485 VanDerWaalsContact O-N 3.17Å; T482-E485 WeakPolarHBondContact OG1-CB 3.47Å; T482-E485 WeakPolarHBondContact OG1-CG 3.2Å; T482-E485 PolarHBondContact OG1-N 3.4Å; T482-E485 VanDerWaalsContact OG1-N 3.15Å; E485-K489 VanDerWaalsContact O-CG 3.29Å; E485-K489 WeakPolarHBondContact O-CG 3.21Å; E485-K489 PolarHBondContact O-N 3.49Å |
| 486 | I | 85.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 80.6 Ų | 80.6 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.8 | -49 | 178.2 | -63.8 | 168.9 | 0 | 0 | 0 | 110 | R481 T482 L483 Q488 K489 V490 A729 | R481-I486 HydrophobicContact CB-CD1 4.05Å; R481-I486 HydrophobicContact CB-CG1 3.93Å; T482-I486 WeakPolarHBondContact O-CG1 3.31Å; T482-I486 PolarHBondContact O-N 3.46Å; T482-I486 VanDerWaalsContact O-N 3.09Å; L483-I486 PolarHBondContact O-N 3.44Å; I486-Q488 VanDerWaalsContact C-N 3.31Å; I486-Q488 PolarHBondContact O-N 3.47Å; I486-K489 WeakPolarHBondContact O-CB 3.29Å; I486-K489 PolarHBondContact O-N 2.89Å; I486-K489 VanDerWaalsContact O-N 3.1Å; I486-V490 HydrophobicContact CG2-CG2 4.33Å; I486-V490 WeakPolarHBondContact O-CG2 3.33Å; I486-V490 PolarHBondContact O-N 3.35Å; I486-A729 HydrophobicContact CG2-CB 3.46Å; I486-A729 VanDerWaalsContact CG2-CB 3.46Å |
| 487 | D | 86.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 179 | -77.9 | -12.5 | 0 | 0 | 0 | 111.6 | L483 K489 V490 S491 H733 | L483-D487 VanDerWaalsContact O-CB 3.32Å; L483-D487 WeakPolarHBondContact O-CB 3.47Å; L483-D487 PolarHBondContact O-N 3.08Å; D487-K489 VanDerWaalsContact C-N 3.32Å; D487-K489 PolarHBondContact O-N 3.31Å; D487-V490 PolarHBondContact O-N 3.3Å; D487-S491 WeakPolarHBondContact O-CB 3.43Å; D487-S491 PolarHBondContact O-N 2.88Å; D487-H733 IonicContact OD1-CD2 2.88Å; D487-H733 IonicContact OD1-CE1 2.89Å; D487-H733 PolarHBondContact OD1-CE1 3.08Å; D487-H733 VanDerWaalsContact OD1-CE1 3.29Å; D487-H733 IonicContact OD1-NE2 3.19Å; D487-H733 PolarHBondContact OD1-NE2 3.23Å; D487-H733 IonicContact OD2-CE1 2.65Å; D487-H733 IonicContact OD2-NE2 3.42Å |
| 488 | Q | 86.6 | Confident | 79.9 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 175 | -175.5 | 59.5 | 51 | 0 | 0 | 111.4 | E484 I486 T492 | E484-Q488 WeakPolarHBondContact O-CB 3.44Å; E484-Q488 PolarHBondContact O-N 3.17Å; I486-Q488 VanDerWaalsContact C-N 3.31Å; I486-Q488 PolarHBondContact O-N 3.47Å; Q488-T492 VanDerWaalsContact O-CG2 3.28Å; Q488-T492 WeakPolarHBondContact O-CG2 3.41Å; Q488-T492 PolarHBondContact O-N 3.45Å |
| 489 | K | 86.2 | Confident | 78.3 | Confident | 117 Ų | 117 | 101 Ų | 101 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -49.4 | 175.2 | -74.7 | -75.1 | -174.8 | 169.4 | 0 | 111.8 | E485 I486 D487 S491 T492 Y493 | E485-K489 VanDerWaalsContact O-CG 3.29Å; E485-K489 WeakPolarHBondContact O-CG 3.21Å; E485-K489 PolarHBondContact O-N 3.49Å; I486-K489 WeakPolarHBondContact O-CB 3.29Å; I486-K489 PolarHBondContact O-N 2.89Å; I486-K489 VanDerWaalsContact O-N 3.1Å; D487-K489 VanDerWaalsContact C-N 3.32Å; D487-K489 PolarHBondContact O-N 3.31Å; K489-S491 VanDerWaalsContact C-N 3.27Å; K489-S491 PolarHBondContact O-N 2.7Å; K489-T492 WeakPolarHBondContact O-CB 3.44Å; K489-T492 PolarHBondContact O-N 3.31Å; K489-T492 PolarHBondContact O-OG1 3.21Å; K489-Y493 WeakPolarHBondContact O-CD2 3.39Å; K489-Y493 PolarHBondContact O-N 2.98Å |
| 490 | V | 85.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 99.4 Ų | 99.4 | 3% | 0.03 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 175.2 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | I486 D487 T492 Y493 I494 L707 F726 A729 | I486-V490 HydrophobicContact CG2-CG2 4.33Å; I486-V490 WeakPolarHBondContact O-CG2 3.33Å; I486-V490 PolarHBondContact O-N 3.35Å; D487-V490 PolarHBondContact O-N 3.3Å; V490-T492 VanDerWaalsContact C-N 3.27Å; V490-T492 PolarHBondContact O-N 3.36Å; V490-Y493 PolarHBondContact O-N 3.22Å; V490-Y493 VanDerWaalsContact O-N 3.1Å; V490-I494 HydrophobicContact CG1-CD1 3.53Å; V490-I494 HydrophobicContact CG1-CG1 4.41Å; V490-I494 WeakPolarHBondContact O-CG1 3.39Å; V490-I494 PolarHBondContact O-N 3.49Å; V490-I494 VanDerWaalsContact O-N 3.13Å; V490-L707 HydrophobicContact CG1-CD2 4.08Å; V490-F726 HydrophobicContact CB-CE1 4.47Å; V490-F726 HydrophobicContact CG1-CD1 4.25Å; V490-F726 HydrophobicContact CG1-CE1 3.77Å; V490-F726 HydrophobicContact CG2-CD1 4.19Å; V490-F726 HydrophobicContact CG2-CE1 4.3Å; V490-A729 HydrophobicContact CG2-CB 3.77Å |
| 491 | S | 86.1 | Confident | 75 | Confident | 51 Ų | 51 | 97.4 Ų | 97.4 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -31.9 | 176.2 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | D487 K489 Y493 I494 T495 | D487-S491 WeakPolarHBondContact O-CB 3.43Å; D487-S491 PolarHBondContact O-N 2.88Å; K489-S491 VanDerWaalsContact C-N 3.27Å; K489-S491 PolarHBondContact O-N 2.7Å; S491-Y493 VanDerWaalsContact C-N 3.32Å; S491-Y493 PolarHBondContact O-N 3.31Å; S491-I494 PolarHBondContact O-N 3.45Å; S491-T495 WeakPolarHBondContact O-CB 3.28Å; S491-T495 PolarHBondContact O-N 3.26Å; S491-T495 PolarHBondContact O-OG1 3.01Å |
| 492 | T | 86.2 | Confident | 73.3 | Confident | 82 Ų | 82 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -27.7 | 175 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | Q488 K489 V490 | Q488-T492 VanDerWaalsContact O-CG2 3.28Å; Q488-T492 WeakPolarHBondContact O-CG2 3.41Å; Q488-T492 PolarHBondContact O-N 3.45Å; K489-T492 WeakPolarHBondContact O-CB 3.44Å; K489-T492 PolarHBondContact O-N 3.31Å; K489-T492 PolarHBondContact O-OG1 3.21Å; V490-T492 VanDerWaalsContact C-N 3.27Å; V490-T492 PolarHBondContact O-N 3.36Å |
| 493 | Y | 84.6 | Confident | 71.7 | Confident | 72 Ų | 72 | 105 Ų | 105 | 28% | 0.282 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79.3 | -38.7 | 174.1 | -62.2 | -69.6 | 0 | 0 | 0 | 111.7 | K489 V490 S491 H694 E722 D725 F726 | K489-Y493 WeakPolarHBondContact O-CD2 3.39Å; K489-Y493 PolarHBondContact O-N 2.98Å; V490-Y493 PolarHBondContact O-N 3.22Å; V490-Y493 VanDerWaalsContact O-N 3.1Å; S491-Y493 VanDerWaalsContact C-N 3.32Å; S491-Y493 PolarHBondContact O-N 3.31Å; Y493-H694 PolarHBondContact O-NE2 3.04Å; Y493-E722 HydrophobicContact CD1-CG 4.15Å; Y493-E722 HydrophobicContact CE1-CB 4.25Å; Y493-E722 HydrophobicContact CE1-CG 4.04Å; Y493-E722 HydrophobicContact CE2-CG 4.41Å; Y493-E722 HydrophobicContact CG-CG 4.41Å; Y493-D725 HydrophobicContact CE2-CB 4.29Å; Y493-D725 PolarHBondContact OH-OD2 3.1Å; Y493-F726 HydrophobicContact CD2-CE2 4.18Å; Y493-F726 HydrophobicContact CD2-CZ 4.2Å; Y493-F726 HydrophobicContact CG-CE2 4.27Å; Y493-F726 HydrophobicContact CG-CZ 4.27Å |
| 494 | I | 81 | Confident | 70.4 | Confident | 16 Ų | 16 | 108.8 Ų | 108.8 | 8% | 0.082 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -77 | -33.8 | -177.1 | -60.6 | 164.6 | 0 | 0 | 0 | 112.5 | V490 S491 E496 H694 L697 P701 | V490-I494 HydrophobicContact CG1-CD1 3.53Å; V490-I494 HydrophobicContact CG1-CG1 4.41Å; V490-I494 WeakPolarHBondContact O-CG1 3.39Å; V490-I494 PolarHBondContact O-N 3.49Å; V490-I494 VanDerWaalsContact O-N 3.13Å; S491-I494 PolarHBondContact O-N 3.45Å; I494-E496 PolarHBondContact O-N 3.35Å; I494-E496 VanDerWaalsContact O-N 3.07Å; I494-H694 WeakPolarHBondContact CA-NE2 3.47Å; I494-H694 PolarHBondContact O-CE1 3.05Å; I494-H694 PolarHBondContact O-NE2 3.07Å; I494-L697 HydrophobicContact CD1-CB 3.82Å; I494-L697 HydrophobicContact CG1-CB 4.19Å; I494-P701 HydrophobicContact CD1-CB 4.47Å |
| 495 | T | 69.6 | Low | 69.2 | Low | 99 Ų | 99 | 104 Ų | 104 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -83.6 | 85.3 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 109.6 | S491 K497 | S491-T495 WeakPolarHBondContact O-CB 3.28Å; S491-T495 PolarHBondContact O-N 3.26Å; S491-T495 PolarHBondContact O-OG1 3.01Å; T495-K497 PolarHBondContact O-N 3.49Å |
| 496 | E | 57.1 | Low | 68.5 | Low | 138 Ų | 138 | 100.7 Ų | 100.7 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | trans | -54.1 | 139.7 | 173.2 | -88 | -166 | 163.2 | 0 | 0 | 111.7 | I494 Q498 | I494-E496 PolarHBondContact O-N 3.35Å; I494-E496 VanDerWaalsContact O-N 3.07Å; E496-Q498 PolarHBondContact O-N 3.47Å; E496-Q498 VanDerWaalsContact O-N 3.14Å | ||
| 497 | K | 50.2 | Low | 68 | Low | 194 Ų | 194 | 101.2 Ų | 101.2 | 84% | 0.843 | 51% | 0.505 | S | S | * | . | trans | -54.3 | 119.5 | 168.7 | -70.9 | 173.2 | -179.1 | 169.3 | 0 | 108.5 | T495 L499 | T495-K497 PolarHBondContact O-N 3.49Å; K497-L499 PolarHBondContact O-N 2.97Å | ||
| 498 | Q | 48.2 | Very low | 67.6 | Low | 193 Ų | 193 | 103.8 Ų | 103.8 | 90% | 0.902 | 52% | 0.515 | S | S | * | . | trans | -44.7 | 110.7 | 175.9 | -68.2 | -174.2 | -4.7 | 0 | 0 | 110.1 | E496 V500 | E496-Q498 PolarHBondContact O-N 3.47Å; E496-Q498 VanDerWaalsContact O-N 3.14Å; Q498-V500 PolarHBondContact O-N 3.42Å; Q498-V500 VanDerWaalsContact O-N 3.11Å | ||
| 499 | L | 53.6 | Low | 67.4 | Low | 138 Ų | 138 | 104.8 Ų | 104.8 | 72% | 0.723 | 52% | 0.518 | S | S | * | . | trans | -56.3 | 120.7 | 176.4 | -73.6 | 165.7 | 0 | 0 | 0 | 108 | K497 V501 | K497-L499 PolarHBondContact O-N 2.97Å; L499-V501 PolarHBondContact O-N 3.23Å; L499-V501 VanDerWaalsContact O-N 3.08Å | ||
| 500 | V | 52.3 | Low | 67.3 | Low | 132 Ų | 132 | 99.2 Ų | 99.2 | 80% | 0.8 | 49% | 0.493 | S | S | * | . | trans | -48.5 | 121.1 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | Q498 K502 | Q498-V500 PolarHBondContact O-N 3.42Å; Q498-V500 VanDerWaalsContact O-N 3.11Å; V500-K502 PolarHBondContact O-N 3.12Å | ||
| 501 | V | 52.1 | Low | 67.4 | Low | 103 Ų | 103 | 99.9 Ų | 99.9 | 62% | 0.624 | 50% | 0.497 | S | S | * | . | trans | -50.6 | 104.8 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | L499 R503 T505 | L499-V501 PolarHBondContact O-N 3.23Å; L499-V501 VanDerWaalsContact O-N 3.08Å; V501-R503 PolarHBondContact O-N 2.85Å; V501-R503 VanDerWaalsContact O-N 3.13Å; V501-T505 VanDerWaalsContact CG1-OG1 3.31Å; V501-T505 WeakPolarHBondContact CG1-OG1 3.33Å | ||
| 502 | K | 51.3 | Low | 67.3 | Low | 148 Ų | 148 | 103.2 Ų | 103.2 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | trans | -62.1 | 120 | 179.1 | -66.7 | -175.7 | -179.7 | 178.4 | 0 | 106.8 | V500 H504 T505 | V500-K502 PolarHBondContact O-N 3.12Å; K502-H504 PolarHBondContact O-N 3.26Å; K502-T505 WeakPolarHBondContact O-CB 3.41Å; K502-T505 PolarHBondContact O-N 2.9Å; K502-T505 PolarHBondContact O-OG1 3.38Å | ||
| 503 | R | 52.3 | Low | 67.4 | Low | 189 Ų | 189 | 102.1 Ų | 102.1 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.2 | -178.7 | -74.7 | -178 | 177.6 | 174.4 | -0.7 | 113.9 | V501 T505 T506 A507 | V501-R503 PolarHBondContact O-N 2.85Å; V501-R503 VanDerWaalsContact O-N 3.13Å; R503-T505 PolarHBondContact O-N 2.95Å; R503-T506 PolarHBondContact O-N 3.49Å; R503-T506 PolarHBondContact O-OG1 3.23Å; R503-A507 PolarHBondContact O-N 3.41Å |
| 504 | H | 55.3 | Low | 67.7 | Low | 155 Ų | 155 | 99.4 Ų | 99.4 | 72% | 0.718 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.3 | -34.5 | 169.1 | -57.3 | -69.7 | 0 | 0 | 0 | 113.2 | K502 A507 E508 | K502-H504 PolarHBondContact O-N 3.26Å; H504-A507 PolarHBondContact O-N 2.88Å; H504-E508 PolarHBondContact O-N 2.86Å |
| 505 | T | 57.3 | Low | 68.2 | Low | 60 Ų | 60 | 99.5 Ų | 99.5 | 37% | 0.368 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -30.2 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | V501 K502 R503 K509 | V501-T505 VanDerWaalsContact CG1-OG1 3.31Å; V501-T505 WeakPolarHBondContact CG1-OG1 3.33Å; K502-T505 WeakPolarHBondContact O-CB 3.41Å; K502-T505 PolarHBondContact O-N 2.9Å; K502-T505 PolarHBondContact O-OG1 3.38Å; R503-T505 PolarHBondContact O-N 2.95Å; T505-K509 WeakPolarHBondContact O-CG 3.25Å; T505-K509 PolarHBondContact O-N 3.44Å; T505-K509 VanDerWaalsContact O-N 3.08Å |
| 506 | T | 71.1 | Confident | 69.1 | Low | 41 Ų | 41 | 100 Ų | 100 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.3 | -38 | 177 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | R503 K509 A510 E583 | R503-T506 PolarHBondContact O-N 3.49Å; R503-T506 PolarHBondContact O-OG1 3.23Å; T506-K509 PolarHBondContact O-N 3.31Å; T506-A510 PolarHBondContact O-N 3.09Å; T506-E583 WeakPolarHBondContact CB-OE2 3.29Å; T506-E583 PolarHBondContact OG1-OE2 3.13Å |
| 507 | A | 75.2 | Confident | 70.5 | Confident | 18 Ų | 18 | 94.7 Ų | 94.7 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R503 H504 K509 A510 V511 K584 | R503-A507 PolarHBondContact O-N 3.41Å; H504-A507 PolarHBondContact O-N 2.88Å; A507-K509 VanDerWaalsContact C-N 3.35Å; A507-K509 PolarHBondContact O-N 3.29Å; A507-A510 WeakPolarHBondContact O-CB 3.38Å; A507-A510 PolarHBondContact O-N 3.44Å; A507-A510 VanDerWaalsContact O-N 3.15Å; A507-V511 WeakPolarHBondContact O-CG2 3.5Å; A507-V511 PolarHBondContact O-N 3.42Å; A507-K584 HydrophobicContact CB-CB 4.47Å |
| 508 | E | 77.9 | Confident | 72.4 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.2 | -161.1 | -165.8 | 146.9 | 0 | 0 | 112.1 | H504 A510 V511 K512 | H504-E508 PolarHBondContact O-N 2.86Å; E508-A510 VanDerWaalsContact C-N 3.31Å; E508-A510 PolarHBondContact O-N 3.23Å; E508-V511 PolarHBondContact O-N 3.32Å; E508-K512 WeakPolarHBondContact O-CB 3.41Å; E508-K512 WeakPolarHBondContact O-CG 3.41Å; E508-K512 PolarHBondContact O-N 3.39Å; E508-K512 VanDerWaalsContact OE1-CE 3.28Å; E508-K512 WeakPolarHBondContact OE1-CE 3.45Å; E508-K512 IonicContact OE1-NZ 3.96Å; E508-K512 PolarHBondContact OE1-NZ 2.99Å |
| 509 | K | 82 | Confident | 74.2 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 172.3 | -77.4 | 178.7 | -179.7 | -178.4 | 0 | 112.2 | T505 T506 A507 E513 | T505-K509 WeakPolarHBondContact O-CG 3.25Å; T505-K509 PolarHBondContact O-N 3.44Å; T505-K509 VanDerWaalsContact O-N 3.08Å; T506-K509 PolarHBondContact O-N 3.31Å; A507-K509 VanDerWaalsContact C-N 3.35Å; A507-K509 PolarHBondContact O-N 3.29Å; K509-E513 PolarHBondContact O-N 3.09Å |
| 510 | A | 84.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T506 A507 E508 E513 Y514 K579 I580 E583 | T506-A510 PolarHBondContact O-N 3.09Å; A507-A510 WeakPolarHBondContact O-CB 3.38Å; A507-A510 PolarHBondContact O-N 3.44Å; A507-A510 VanDerWaalsContact O-N 3.15Å; E508-A510 VanDerWaalsContact C-N 3.31Å; E508-A510 PolarHBondContact O-N 3.23Å; A510-E513 PolarHBondContact O-N 3.34Å; A510-Y514 PolarHBondContact O-N 3.29Å; A510-K579 HydrophobicContact CB-CD 4.32Å; A510-K579 HydrophobicContact CB-CG 3.97Å; A510-I580 HydrophobicContact CB-CG1 4.31Å; A510-E583 HydrophobicContact CB-CB 4.11Å; A510-E583 HydrophobicContact CB-CG 4.28Å |
| 511 | V | 87 | Confident | 77.6 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 11% | 0.109 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | A507 E508 E513 Y514 H515 Y607 E611 | A507-V511 WeakPolarHBondContact O-CG2 3.5Å; A507-V511 PolarHBondContact O-N 3.42Å; E508-V511 PolarHBondContact O-N 3.32Å; V511-E513 VanDerWaalsContact C-N 3.31Å; V511-E513 PolarHBondContact O-N 2.97Å; V511-Y514 WeakPolarHBondContact O-CB 3.14Å; V511-Y514 PolarHBondContact O-N 2.94Å; V511-Y514 VanDerWaalsContact O-N 3.16Å; V511-H515 PolarHBondContact O-N 3.44Å; V511-Y607 WeakPolarHBondContact CG2-OH 3.27Å; V511-E611 VanDerWaalsContact CG1-OE2 3.29Å; V511-E611 WeakPolarHBondContact CG1-OE2 3.37Å |
| 512 | K | 85.9 | Confident | 79.2 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.7 | -79.3 | 171.6 | 168 | 161.2 | 0 | 112.2 | E508 H515 K516 | E508-K512 WeakPolarHBondContact O-CB 3.41Å; E508-K512 WeakPolarHBondContact O-CG 3.41Å; E508-K512 PolarHBondContact O-N 3.39Å; E508-K512 VanDerWaalsContact OE1-CE 3.28Å; E508-K512 WeakPolarHBondContact OE1-CE 3.45Å; E508-K512 IonicContact OE1-NZ 3.96Å; E508-K512 PolarHBondContact OE1-NZ 2.99Å; K512-H515 PolarHBondContact O-N 3.3Å; K512-K516 PolarHBondContact O-N 3.35Å |
| 513 | E | 87.8 | Confident | 80.9 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.3 | -172.6 | 57.9 | -142.4 | 0 | 0 | 111.6 | K509 A510 V511 K516 Q517 | K509-E513 PolarHBondContact O-N 3.09Å; A510-E513 PolarHBondContact O-N 3.34Å; V511-E513 VanDerWaalsContact C-N 3.31Å; V511-E513 PolarHBondContact O-N 2.97Å; E513-K516 WeakPolarHBondContact O-CB 3.45Å; E513-K516 PolarHBondContact O-N 3.45Å; E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.27Å; E513-Q517 PolarHBondContact OE1-NE2 3.44Å |
| 514 | Y | 91.2 | Very high | 82.5 | Confident | 14 Ų | 14 | 57 Ų | 57 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.5 | -179.2 | -111.7 | 0 | 0 | 0 | 112.5 | A510 V511 K516 Q517 I518 L573 A576 V577 I580 L608 E611 | A510-Y514 PolarHBondContact O-N 3.29Å; V511-Y514 WeakPolarHBondContact O-CB 3.14Å; V511-Y514 PolarHBondContact O-N 2.94Å; V511-Y514 VanDerWaalsContact O-N 3.16Å; Y514-K516 VanDerWaalsContact C-N 3.29Å; Y514-K516 PolarHBondContact O-N 2.63Å; Y514-Q517 PolarHBondContact O-N 3.32Å; Y514-I518 HydrophobicContact CD1-CD1 3.72Å; Y514-I518 HydrophobicContact CD2-CD1 4.41Å; Y514-I518 HydrophobicContact CE1-CD1 3.25Å; Y514-I518 HydrophobicContact CE1-CG1 4.36Å; Y514-I518 HydrophobicContact CE2-CD1 4.01Å; Y514-I518 HydrophobicContact CE2-CG1 4.35Å; Y514-I518 HydrophobicContact CG-CD1 4.27Å; Y514-I518 VanDerWaalsContact CZ-CD1 3.41Å; Y514-I518 WeakPolarHBondContact O-CG1 3.48Å; Y514-I518 PolarHBondContact O-N 3.43Å; Y514-L573 HydrophobicContact CE2-CD2 4.18Å; Y514-A576 HydrophobicContact CD2-CB 3.96Å; Y514-V577 HydrophobicContact CD2-CG2 4.32Å; Y514-V577 HydrophobicContact CE2-CG2 3.83Å; Y514-I580 VanDerWaalsContact CB-CD1 3.44Å; Y514-I580 HydrophobicContact CD1-CD1 3.86Å; Y514-I580 HydrophobicContact CD2-CD1 4.05Å; Y514-I580 HydrophobicContact CG-CD1 3.52Å; Y514-L608 HydrophobicContact CE1-CD2 3.98Å; Y514-L608 HydrophobicContact CE2-CD2 3.99Å; Y514-L608 PolarHBondContact OH-O 3.38Å; Y514-E611 HydrophobicContact CD1-CB 4.07Å; Y514-E611 HydrophobicContact CE1-CB 3.89Å |
| 515 | H | 90.3 | Very high | 84 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 173.6 | -67.7 | 172 | 0 | 0 | 0 | 111.9 | V511 K512 I518 A519 E611 K618 | V511-H515 PolarHBondContact O-N 3.44Å; K512-H515 PolarHBondContact O-N 3.3Å; H515-I518 PolarHBondContact O-N 3.33Å; H515-A519 WeakPolarHBondContact O-CB 3.5Å; H515-A519 PolarHBondContact O-N 3.48Å; H515-E611 PolarHBondContact CD2-O 2.82Å; H515-E611 IonicContact CD2-OE2 2.68Å; H515-E611 IonicContact CE1-OE2 3.27Å; H515-E611 PolarHBondContact CE1-OE2 2.94Å; H515-E611 VanDerWaalsContact CE1-OE2 3.26Å; H515-E611 PolarHBondContact NE2-O 3.1Å; H515-E611 IonicContact NE2-OE2 2.62Å; H515-E611 PolarHBondContact NE2-OE2 3.26Å; H515-K618 PolarHBondContact ND1-NZ 2.96Å |
| 516 | K | 88.3 | Confident | 85.3 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.8 | -176.9 | -174 | 173.4 | -170.1 | 0 | 111.6 | K512 E513 Y514 I518 A519 E520 | K512-K516 PolarHBondContact O-N 3.35Å; E513-K516 WeakPolarHBondContact O-CB 3.45Å; E513-K516 PolarHBondContact O-N 3.45Å; Y514-K516 VanDerWaalsContact C-N 3.29Å; Y514-K516 PolarHBondContact O-N 2.63Å; K516-I518 VanDerWaalsContact C-N 3.29Å; K516-I518 PolarHBondContact O-N 3.13Å; K516-A519 WeakPolarHBondContact O-CB 3.36Å; K516-A519 PolarHBondContact O-N 2.87Å; K516-A519 VanDerWaalsContact O-N 3.17Å; K516-E520 WeakPolarHBondContact CE-OE1 3.35Å; K516-E520 PolarHBondContact O-N 2.96Å |
| 517 | Q | 88.1 | Confident | 85.9 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.2 | -66.7 | -55.9 | -43.8 | 0 | 0 | 112 | E513 Y514 E520 V521 L573 A576 | E513-Q517 WeakPolarHBondContact O-CG 3.41Å; E513-Q517 PolarHBondContact O-N 3.27Å; E513-Q517 PolarHBondContact OE1-NE2 3.44Å; Y514-Q517 PolarHBondContact O-N 3.32Å; Q517-E520 PolarHBondContact O-N 3.12Å; Q517-V521 VanDerWaalsContact O-CG2 3.28Å; Q517-V521 WeakPolarHBondContact O-CG2 3.49Å; Q517-V521 PolarHBondContact O-N 2.81Å; Q517-L573 HydrophobicContact CB-CD2 4.35Å; Q517-A576 HydrophobicContact CB-CB 4.43Å; Q517-A576 HydrophobicContact CG-CB 4.02Å |
| 518 | I | 89.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.3 | -72.7 | 175.1 | 0 | 0 | 0 | 111.4 | Y514 H515 K516 E520 V521 A522 L573 M612 L616 | Y514-I518 HydrophobicContact CD1-CD1 3.72Å; Y514-I518 HydrophobicContact CD2-CD1 4.41Å; Y514-I518 HydrophobicContact CE1-CD1 3.25Å; Y514-I518 HydrophobicContact CE1-CG1 4.36Å; Y514-I518 HydrophobicContact CE2-CD1 4.01Å; Y514-I518 HydrophobicContact CE2-CG1 4.35Å; Y514-I518 HydrophobicContact CG-CD1 4.27Å; Y514-I518 VanDerWaalsContact CZ-CD1 3.41Å; Y514-I518 WeakPolarHBondContact O-CG1 3.48Å; Y514-I518 PolarHBondContact O-N 3.43Å; H515-I518 PolarHBondContact O-N 3.33Å; K516-I518 VanDerWaalsContact C-N 3.29Å; K516-I518 PolarHBondContact O-N 3.13Å; I518-E520 VanDerWaalsContact C-N 3.33Å; I518-E520 PolarHBondContact O-N 2.94Å; I518-V521 PolarHBondContact O-N 3.1Å; I518-A522 VanDerWaalsContact O-CB 3.3Å; I518-A522 WeakPolarHBondContact O-CB 3.48Å; I518-A522 PolarHBondContact O-N 3.11Å; I518-L573 HydrophobicContact CG1-CD2 4.04Å; I518-M612 VanDerWaalsContact CD1-CA 3.47Å; I518-M612 HydrophobicContact CD1-CB 3.56Å; I518-M612 HydrophobicContact CD1-CG 3.71Å; I518-M612 HydrophobicContact CG1-CG 4.45Å; I518-M612 HydrophobicContact CG2-CG 4.21Å; I518-L616 HydrophobicContact CG2-CD2 3.55Å; I518-L616 HydrophobicContact CG2-CG 3.78Å |
| 519 | A | 86.6 | Confident | 86.6 | Confident | 24 Ų | 24 | 54 Ų | 54 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | H515 K516 A522 N523 V619 | H515-A519 WeakPolarHBondContact O-CB 3.5Å; H515-A519 PolarHBondContact O-N 3.48Å; K516-A519 WeakPolarHBondContact O-CB 3.36Å; K516-A519 PolarHBondContact O-N 2.87Å; K516-A519 VanDerWaalsContact O-N 3.17Å; A519-A522 PolarHBondContact O-N 3.44Å; A519-N523 WeakPolarHBondContact O-CB 3.43Å; A519-N523 PolarHBondContact O-N 3.48Å; A519-N523 PolarHBondContact O-ND2 3.36Å; A519-V619 HydrophobicContact CB-CG2 3.42Å; A519-V619 VanDerWaalsContact CB-CG2 3.42Å |
| 520 | E | 87 | Confident | 86.6 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.1 | -71.7 | 178.6 | -166.2 | 0 | 0 | 111.5 | K516 Q517 I518 A522 N523 Y524 | K516-E520 WeakPolarHBondContact CE-OE1 3.35Å; K516-E520 PolarHBondContact O-N 2.96Å; Q517-E520 PolarHBondContact O-N 3.12Å; I518-E520 VanDerWaalsContact C-N 3.33Å; I518-E520 PolarHBondContact O-N 2.94Å; E520-A522 VanDerWaalsContact C-N 3.34Å; E520-A522 PolarHBondContact O-N 3.42Å; E520-N523 PolarHBondContact O-N 3.02Å; E520-Y524 WeakPolarHBondContact O-CD2 3.35Å; E520-Y524 PolarHBondContact O-N 3.46Å |
| 521 | V | 88.6 | Confident | 86.6 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.5 | Q517 I518 Y524 L525 F569 | Q517-V521 VanDerWaalsContact O-CG2 3.28Å; Q517-V521 WeakPolarHBondContact O-CG2 3.49Å; Q517-V521 PolarHBondContact O-N 2.81Å; I518-V521 PolarHBondContact O-N 3.1Å; V521-Y524 PolarHBondContact O-N 3.28Å; V521-L525 HydrophobicContact CG1-CD1 3.96Å; V521-L525 HydrophobicContact CG1-CG 4.39Å; V521-L525 WeakPolarHBondContact O-CB 3.42Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 2.95Å; V521-F569 HydrophobicContact CG1-CB 4.23Å; V521-F569 HydrophobicContact CG1-CD1 4.22Å; V521-F569 HydrophobicContact CG1-CD2 4.35Å; V521-F569 HydrophobicContact CG1-CG 4.03Å; V521-F569 HydrophobicContact CG2-CB 4.43Å; V521-F569 HydrophobicContact CG2-CD1 4.11Å; V521-F569 HydrophobicContact CG2-CG 4.47Å |
| 522 | A | 87.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I518 A519 E520 L525 L526 L616 | I518-A522 VanDerWaalsContact O-CB 3.3Å; I518-A522 WeakPolarHBondContact O-CB 3.48Å; I518-A522 PolarHBondContact O-N 3.11Å; A519-A522 PolarHBondContact O-N 3.44Å; E520-A522 VanDerWaalsContact C-N 3.34Å; E520-A522 PolarHBondContact O-N 3.42Å; A522-L525 PolarHBondContact O-N 3.42Å; A522-L526 WeakPolarHBondContact O-CB 3.46Å; A522-L526 PolarHBondContact O-N 2.93Å; A522-L616 HydrophobicContact CB-CD2 3.69Å |
| 523 | N | 85.9 | Confident | 86 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.7 | -77.6 | -31.4 | 0 | 0 | 0 | 112.2 | A519 E520 L526 M527 | A519-N523 WeakPolarHBondContact O-CB 3.43Å; A519-N523 PolarHBondContact O-N 3.48Å; A519-N523 PolarHBondContact O-ND2 3.36Å; E520-N523 PolarHBondContact O-N 3.02Å; N523-L526 PolarHBondContact O-N 3.21Å; N523-M527 WeakPolarHBondContact O-CB 3.5Å; N523-M527 PolarHBondContact O-N 2.97Å |
| 524 | Y | 86.5 | Confident | 85.3 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.4 | -81.6 | -63.7 | 0 | 0 | 0 | 111.5 | E520 V521 L526 M527 E528 F569 | E520-Y524 WeakPolarHBondContact O-CD2 3.35Å; E520-Y524 PolarHBondContact O-N 3.46Å; V521-Y524 PolarHBondContact O-N 3.28Å; Y524-L526 VanDerWaalsContact C-N 3.32Å; Y524-L526 PolarHBondContact O-N 2.95Å; Y524-M527 HydrophobicContact CD1-CE 4.08Å; Y524-M527 HydrophobicContact CE1-CE 4.23Å; Y524-M527 PolarHBondContact O-N 3.01Å; Y524-M527 VanDerWaalsContact O-N 3.15Å; Y524-E528 WeakPolarHBondContact O-CG 3.29Å; Y524-E528 PolarHBondContact O-N 3.19Å; Y524-F569 HydrophobicContact CD2-CE1 4.48Å; Y524-F569 HydrophobicContact CG-CE1 4.3Å |
| 525 | L | 86.1 | Confident | 84.3 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.4 | -75.3 | 170.1 | 0 | 0 | 0 | 111.9 | V521 A522 M527 E528 F529 L560 F569 | V521-L525 HydrophobicContact CG1-CD1 3.96Å; V521-L525 HydrophobicContact CG1-CG 4.39Å; V521-L525 WeakPolarHBondContact O-CB 3.42Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 2.95Å; A522-L525 PolarHBondContact O-N 3.42Å; L525-M527 VanDerWaalsContact C-N 3.3Å; L525-M527 PolarHBondContact O-N 3.36Å; L525-E528 PolarHBondContact O-N 3.11Å; L525-F529 WeakPolarHBondContact O-CB 3.47Å; L525-F529 PolarHBondContact O-N 3.47Å; L525-L560 HydrophobicContact CD2-CD1 3.58Å; L525-L560 HydrophobicContact CD2-CD2 4.15Å; L525-F569 HydrophobicContact CD2-CD2 4.25Å; L525-F569 HydrophobicContact CD2-CE2 3.65Å; L525-F569 HydrophobicContact CD2-CZ 4.47Å; L525-F569 HydrophobicContact CG-CE2 4.03Å |
| 526 | L | 84.2 | Confident | 83.2 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176 | -174.6 | 66.4 | 0 | 0 | 0 | 111.7 | A522 N523 Y524 K530 | A522-L526 WeakPolarHBondContact O-CB 3.46Å; A522-L526 PolarHBondContact O-N 2.93Å; N523-L526 PolarHBondContact O-N 3.21Å; Y524-L526 VanDerWaalsContact C-N 3.32Å; Y524-L526 PolarHBondContact O-N 2.95Å; L526-K530 WeakPolarHBondContact O-CB 3.08Å; L526-K530 VanDerWaalsContact O-CG 3.28Å; L526-K530 WeakPolarHBondContact O-CG 3.5Å; L526-K530 PolarHBondContact O-N 2.87Å |
| 527 | M | 84.4 | Confident | 82.1 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 177.2 | -166.5 | 157.1 | 71 | 0 | 0 | 111.5 | N523 Y524 L525 K530 V531 | N523-M527 WeakPolarHBondContact O-CB 3.5Å; N523-M527 PolarHBondContact O-N 2.97Å; Y524-M527 HydrophobicContact CD1-CE 4.08Å; Y524-M527 HydrophobicContact CE1-CE 4.23Å; Y524-M527 PolarHBondContact O-N 3.01Å; Y524-M527 VanDerWaalsContact O-N 3.15Å; L525-M527 VanDerWaalsContact C-N 3.3Å; L525-M527 PolarHBondContact O-N 3.36Å; M527-K530 PolarHBondContact O-N 3.47Å; M527-V531 WeakPolarHBondContact O-CG2 3.4Å; M527-V531 PolarHBondContact O-N 2.68Å |
| 528 | E | 83 | Confident | 81 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.5 | -66.1 | -60.1 | 139.7 | 0 | 0 | 111.5 | Y524 L525 K530 V531 M532 L556 L560 K565 | Y524-E528 WeakPolarHBondContact O-CG 3.29Å; Y524-E528 PolarHBondContact O-N 3.19Å; L525-E528 PolarHBondContact O-N 3.11Å; E528-K530 VanDerWaalsContact C-N 3.28Å; E528-K530 PolarHBondContact O-N 3.3Å; E528-V531 PolarHBondContact O-N 3.06Å; E528-M532 VanDerWaalsContact O-CG 3.26Å; E528-M532 WeakPolarHBondContact O-CG 3.38Å; E528-M532 PolarHBondContact O-N 3.22Å; E528-L556 HydrophobicContact CB-CD1 4.49Å; E528-L560 HydrophobicContact CG-CD2 4.46Å; E528-K565 HydrophobicContact CG-CD 4.34Å; E528-K565 IonicContact OE1-NZ 2.84Å; E528-K565 PolarHBondContact OE1-NZ 3.4Å; E528-K565 IonicContact OE2-NZ 2.93Å; E528-K565 PolarHBondContact OE2-NZ 3.01Å |
| 529 | F | 84.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 25% | 0.254 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 176.3 | -176.4 | -91.2 | 0 | 0 | 0 | 111.5 | L525 V531 M532 F533 I537 M552 L556 | L525-F529 WeakPolarHBondContact O-CB 3.47Å; L525-F529 PolarHBondContact O-N 3.47Å; F529-V531 VanDerWaalsContact C-N 3.33Å; F529-V531 PolarHBondContact O-N 3.36Å; F529-M532 PolarHBondContact O-N 2.94Å; F529-F533 HydrophobicContact CD1-CD2 4.31Å; F529-F533 AromaticContact CD2-CD2 3.52Å; F529-F533 HydrophobicContact CD2-CD2 3.52Å; F529-F533 AromaticContact CD2-CE2 3.64Å; F529-F533 HydrophobicContact CD2-CE2 3.64Å; F529-F533 HydrophobicContact CE1-CD2 4.24Å; F529-F533 AromaticContact CE2-CD2 3.45Å; F529-F533 HydrophobicContact CE2-CD2 3.45Å; F529-F533 VanDerWaalsContact CE2-CD2 3.45Å; F529-F533 AromaticContact CE2-CE2 3.6Å; F529-F533 HydrophobicContact CE2-CE2 3.6Å; F529-F533 HydrophobicContact CE2-CG 4.47Å; F529-F533 AromaticContact CG-CD2 3.98Å; F529-F533 HydrophobicContact CG-CD2 3.98Å; F529-F533 HydrophobicContact CG-CE2 4.47Å; F529-F533 AromaticContact CZ-CD2 3.84Å; F529-F533 HydrophobicContact CZ-CD2 3.84Å; F529-F533 HydrophobicContact CZ-CE2 4.39Å; F529-F533 WeakPolarHBondContact O-CD2 3.31Å; F529-F533 PolarHBondContact O-N 3.17Å; F529-I537 HydrophobicContact CD1-CD1 4.38Å; F529-I537 HydrophobicContact CE1-CD1 4.32Å; F529-M552 HydrophobicContact CE2-CE 3.94Å; F529-M552 HydrophobicContact CZ-CE 3.63Å; F529-L556 HydrophobicContact CD2-CD2 4.24Å |
| 530 | K | 82.4 | Confident | 78.5 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.2 | -77.7 | 176.6 | 178.9 | -175.8 | 0 | 112.4 | L526 M527 E528 S534 I537 | L526-K530 WeakPolarHBondContact O-CB 3.08Å; L526-K530 VanDerWaalsContact O-CG 3.28Å; L526-K530 WeakPolarHBondContact O-CG 3.5Å; L526-K530 PolarHBondContact O-N 2.87Å; M527-K530 PolarHBondContact O-N 3.47Å; E528-K530 VanDerWaalsContact C-N 3.28Å; E528-K530 PolarHBondContact O-N 3.3Å; K530-S534 WeakPolarHBondContact O-CA 3.33Å; K530-S534 VanDerWaalsContact O-CB 3.28Å; K530-S534 WeakPolarHBondContact O-CB 3.34Å; K530-S534 PolarHBondContact O-N 3.48Å; K530-S534 PolarHBondContact O-OG 2.84Å; K530-I537 HydrophobicContact CB-CD1 4.42Å; K530-I537 HydrophobicContact CG-CD1 4.13Å |
| 531 | V | 83.5 | Confident | 77.4 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 62% | 0.618 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | M527 E528 F529 F533 | M527-V531 WeakPolarHBondContact O-CG2 3.4Å; M527-V531 PolarHBondContact O-N 2.68Å; E528-V531 PolarHBondContact O-N 3.06Å; F529-V531 VanDerWaalsContact C-N 3.33Å; F529-V531 PolarHBondContact O-N 3.36Å; V531-F533 VanDerWaalsContact C-N 3.35Å; V531-F533 PolarHBondContact O-N 2.88Å |
| 532 | M | 79.9 | Confident | 76 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | -178.1 | -56.7 | -150.2 | 89.6 | 0 | 0 | 112.4 | E528 F529 L556 S559 | E528-M532 VanDerWaalsContact O-CG 3.26Å; E528-M532 WeakPolarHBondContact O-CG 3.38Å; E528-M532 PolarHBondContact O-N 3.22Å; F529-M532 PolarHBondContact O-N 2.94Å; M532-L556 HydrophobicContact SD-CD1 3.94Å; M532-S559 WeakPolarHBondContact CE-OG 3.32Å; M532-S559 WeakPolarHBondContact SD-CB 3.35Å; M532-S559 PolarHBondContact SD-OG 3.46Å |
| 533 | F | 80.4 | Confident | 74.8 | Confident | 8 Ų | 8 | 82.9 Ų | 82.9 | 4% | 0.035 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 24.4 | -173.9 | -54.7 | -68.4 | 0 | 0 | 0 | 112.5 | F529 V531 D535 L536 I537 M552 | F529-F533 HydrophobicContact CD1-CD2 4.31Å; F529-F533 AromaticContact CD2-CD2 3.52Å; F529-F533 HydrophobicContact CD2-CD2 3.52Å; F529-F533 AromaticContact CD2-CE2 3.64Å; F529-F533 HydrophobicContact CD2-CE2 3.64Å; F529-F533 HydrophobicContact CE1-CD2 4.24Å; F529-F533 AromaticContact CE2-CD2 3.45Å; F529-F533 HydrophobicContact CE2-CD2 3.45Å; F529-F533 VanDerWaalsContact CE2-CD2 3.45Å; F529-F533 AromaticContact CE2-CE2 3.6Å; F529-F533 HydrophobicContact CE2-CE2 3.6Å; F529-F533 HydrophobicContact CE2-CG 4.47Å; F529-F533 AromaticContact CG-CD2 3.98Å; F529-F533 HydrophobicContact CG-CD2 3.98Å; F529-F533 HydrophobicContact CG-CE2 4.47Å; F529-F533 AromaticContact CZ-CD2 3.84Å; F529-F533 HydrophobicContact CZ-CD2 3.84Å; F529-F533 HydrophobicContact CZ-CE2 4.39Å; F529-F533 WeakPolarHBondContact O-CD2 3.31Å; F529-F533 PolarHBondContact O-N 3.17Å; V531-F533 VanDerWaalsContact C-N 3.35Å; V531-F533 PolarHBondContact O-N 2.88Å; F533-D535 VanDerWaalsContact C-N 3.25Å; F533-D535 PolarHBondContact O-N 3.06Å; F533-L536 HydrophobicContact CB-CB 4.41Å; F533-L536 PolarHBondContact O-N 2.89Å; F533-L536 VanDerWaalsContact O-N 3.09Å; F533-I537 HydrophobicContact CB-CD1 4.42Å; F533-I537 VanDerWaalsContact O-CG1 3.29Å; F533-I537 WeakPolarHBondContact O-CG1 3.31Å; F533-I537 PolarHBondContact O-N 3.35Å; F533-M552 HydrophobicContact CB-CE 4.13Å; F533-M552 HydrophobicContact CD1-CE 3.59Å; F533-M552 HydrophobicContact CD1-CG 4.41Å; F533-M552 HydrophobicContact CD2-CE 3.77Å; F533-M552 HydrophobicContact CE1-CB 4.06Å; F533-M552 HydrophobicContact CE1-CE 3.89Å; F533-M552 HydrophobicContact CE1-CG 3.85Å; F533-M552 HydrophobicContact CE2-CB 4.3Å; F533-M552 HydrophobicContact CE2-CE 4.07Å; F533-M552 HydrophobicContact CG-CE 3.53Å; F533-M552 HydrophobicContact CZ-CB 3.73Å; F533-M552 HydrophobicContact CZ-CE 4.12Å; F533-M552 HydrophobicContact CZ-CG 4.06Å; F533-M552 WeakPolarHBondContact CZ-O 3.25Å |
| 534 | S | 73.3 | Confident | 73.6 | Confident | 47 Ų | 47 | 86 Ų | 86 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | -178.4 | -92.8 | 0 | 0 | 0 | 0 | 111.8 | K530 L536 I537 Q538 | K530-S534 WeakPolarHBondContact O-CA 3.33Å; K530-S534 VanDerWaalsContact O-CB 3.28Å; K530-S534 WeakPolarHBondContact O-CB 3.34Å; K530-S534 PolarHBondContact O-N 3.48Å; K530-S534 PolarHBondContact O-OG 2.84Å; S534-L536 PolarHBondContact O-N 2.85Å; S534-I537 PolarHBondContact O-N 3.08Å; S534-Q538 WeakPolarHBondContact O-CB 3.34Å; S534-Q538 WeakPolarHBondContact O-CG 3.41Å; S534-Q538 PolarHBondContact O-N 2.99Å |
| 535 | D | 70.7 | Confident | 73 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 178.5 | -62.4 | -20.7 | 0 | 0 | 0 | 111.7 | F533 T539 | F533-D535 VanDerWaalsContact C-N 3.25Å; F533-D535 PolarHBondContact O-N 3.06Å; D535-T539 WeakPolarHBondContact O-CB 3.4Å; D535-T539 WeakPolarHBondContact O-CG2 3.34Å; D535-T539 PolarHBondContact O-N 3.01Å; D535-T539 VanDerWaalsContact O-N 3.13Å; D535-T539 PolarHBondContact O-OG1 3.39Å |
| 536 | L | 66.9 | Low | 72.6 | Confident | 58 Ų | 58 | 89.5 Ų | 89.5 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.8 | -37.4 | 177.4 | -79.4 | 79.6 | 0 | 0 | 0 | 112.3 | F533 S534 T539 D540 Q541 P543 M552 | F533-L536 HydrophobicContact CB-CB 4.41Å; F533-L536 PolarHBondContact O-N 2.89Å; F533-L536 VanDerWaalsContact O-N 3.09Å; S534-L536 PolarHBondContact O-N 2.85Å; L536-T539 WeakPolarHBondContact CA-OG1 3.49Å; L536-T539 PolarHBondContact O-OG1 3.23Å; L536-D540 PolarHBondContact O-N 3.44Å; L536-Q541 PolarHBondContact O-N 2.9Å; L536-P543 HydrophobicContact CD2-CG 4.39Å; L536-M552 HydrophobicContact CD2-CE 4.45Å |
| 537 | I | 65.1 | Low | 72.4 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 178.2 | -65.6 | 164.4 | 0 | 0 | 0 | 110.3 | F529 K530 F533 S534 D540 L542 | F529-I537 HydrophobicContact CD1-CD1 4.38Å; F529-I537 HydrophobicContact CE1-CD1 4.32Å; K530-I537 HydrophobicContact CB-CD1 4.42Å; K530-I537 HydrophobicContact CG-CD1 4.13Å; F533-I537 HydrophobicContact CB-CD1 4.42Å; F533-I537 VanDerWaalsContact O-CG1 3.29Å; F533-I537 WeakPolarHBondContact O-CG1 3.31Å; F533-I537 PolarHBondContact O-N 3.35Å; S534-I537 PolarHBondContact O-N 3.08Å; I537-D540 PolarHBondContact O-N 2.69Å; I537-L542 HydrophobicContact CG1-CD1 4.47Å |
| 538 | Q | 65.2 | Low | 72 | Confident | 163 Ų | 163 | 90 Ų | 90 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.1 | -33.4 | 177.7 | -75.2 | -176.1 | 11.8 | 0 | 0 | 113 | S534 D540 | S534-Q538 WeakPolarHBondContact O-CB 3.34Å; S534-Q538 WeakPolarHBondContact O-CG 3.41Å; S534-Q538 PolarHBondContact O-N 2.99Å; Q538-D540 PolarHBondContact O-N 2.91Å |
| 539 | T | 66 | Low | 71.7 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | D535 L536 Q541 | D535-T539 WeakPolarHBondContact O-CB 3.4Å; D535-T539 WeakPolarHBondContact O-CG2 3.34Å; D535-T539 PolarHBondContact O-N 3.01Å; D535-T539 VanDerWaalsContact O-N 3.13Å; D535-T539 PolarHBondContact O-OG1 3.39Å; L536-T539 WeakPolarHBondContact CA-OG1 3.49Å; L536-T539 PolarHBondContact O-OG1 3.23Å; T539-Q541 PolarHBondContact O-N 3.1Å |
| 540 | D | 56.9 | Low | 71.5 | Confident | 142 Ų | 142 | 91 Ų | 91 | 76% | 0.759 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 22 | -173.8 | -136.1 | 17.8 | 0 | 0 | 0 | 112.8 | L536 I537 Q538 L542 | L536-D540 PolarHBondContact O-N 3.44Å; I537-D540 PolarHBondContact O-N 2.69Å; Q538-D540 PolarHBondContact O-N 2.91Å; D540-L542 VanDerWaalsContact C-N 3.27Å; D540-L542 PolarHBondContact O-N 3.3Å |
| 541 | Q | 63.8 | Low | 71.4 | Confident | 144 Ų | 144 | 91.7 Ų | 91.7 | 67% | 0.673 | 49% | 0.49 | S | S | * | . | trans | -95 | 44.3 | 177.9 | -67.2 | -175.3 | 9.1 | 0 | 0 | 110.7 | L536 T539 P543 | L536-Q541 PolarHBondContact O-N 2.9Å; T539-Q541 PolarHBondContact O-N 3.1Å; Q541-P543 WeakPolarHBondContact O-CD 3.48Å | ||
| 542 | L | 60.7 | Low | 71.2 | Confident | 78 Ų | 78 | 87.7 Ų | 87.7 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | trans | -63.2 | 124.4 | 171.8 | -87.9 | 141.7 | 0 | 0 | 0 | 109 | I537 D540 V544 M552 | I537-L542 HydrophobicContact CG1-CD1 4.47Å; D540-L542 VanDerWaalsContact C-N 3.27Å; D540-L542 PolarHBondContact O-N 3.3Å; L542-V544 PolarHBondContact O-N 3.16Å; L542-M552 HydrophobicContact CD2-CE 4.25Å | ||
| 543 | P | 61.6 | Low | 71.3 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | trans | -62.2 | 126.3 | -177.5 | -19.9 | 30.6 | 0 | 0 | 0 | 110.9 | L536 Q541 D545 C548 M552 | L536-P543 HydrophobicContact CD2-CG 4.39Å; Q541-P543 WeakPolarHBondContact O-CD 3.48Å; P543-D545 VanDerWaalsContact C-N 3.29Å; P543-C548 HydrophobicContact CB-CB 3.2Å; P543-C548 HydrophobicContact CG-CB 3.75Å; P543-M552 HydrophobicContact CG-SD 3.88Å | ||
| 544 | V | 59.9 | Low | 71.5 | Confident | 154 Ų | 154 | 93.8 Ų | 93.8 | 93% | 0.933 | 49% | 0.491 | S | S | * | . | trans | -78.4 | -19.6 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | L542 | L542-V544 PolarHBondContact O-N 3.16Š| ||
| 545 | D | 74.8 | Confident | 72.1 | Confident | 92 Ų | 92 | 96.9 Ų | 96.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -74.4 | 136.3 | -177.7 | -164.1 | -3.3 | 0 | 0 | 0 | 112.4 | P543 E547 C548 A549 | P543-D545 VanDerWaalsContact C-N 3.29Å; D545-E547 VanDerWaalsContact C-N 3.28Å; D545-E547 PolarHBondContact O-N 3.2Å; D545-E547 PolarHBondContact OD1-N 3.49Å; D545-C548 HydrophobicContact CB-CB 4.43Å; D545-C548 PolarHBondContact O-N 3.32Å; D545-A549 PolarHBondContact O-N 3.49Å |
| 546 | H | 77.5 | Confident | 72.7 | Confident | 138 Ų | 138 | 92.1 Ų | 92.1 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | 177.9 | -178.8 | -78.9 | 0 | 0 | 0 | 111.6 | A549 E550 | H546-A549 PolarHBondContact O-N 2.94Å; H546-E550 PolarHBondContact O-N 2.95Å |
| 547 | E | 80.4 | Confident | 73.6 | Confident | 135 Ų | 135 | 95 Ų | 95 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 177.7 | -69.7 | -168.4 | 175 | 0 | 0 | 112 | D545 E550 Q551 | D545-E547 VanDerWaalsContact C-N 3.28Å; D545-E547 PolarHBondContact O-N 3.2Å; D545-E547 PolarHBondContact OD1-N 3.49Å; E547-E550 PolarHBondContact O-N 3.34Å; E547-Q551 WeakPolarHBondContact O-CG 3.47Å; E547-Q551 PolarHBondContact O-N 2.97Å |
| 548 | C | 76.4 | Confident | 74.6 | Confident | 45 Ų | 45 | 100.3 Ų | 100.3 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.3 | -70.1 | 0 | 0 | 0 | 0 | 112 | P543 D545 E550 Q551 M552 | P543-C548 HydrophobicContact CB-CB 3.2Å; P543-C548 HydrophobicContact CG-CB 3.75Å; D545-C548 HydrophobicContact CB-CB 4.43Å; D545-C548 PolarHBondContact O-N 3.32Å; C548-E550 VanDerWaalsContact C-N 3.32Å; C548-E550 PolarHBondContact O-N 3.23Å; C548-Q551 PolarHBondContact O-N 3.32Å; C548-M552 WeakPolarHBondContact O-CG 3.26Å; C548-M552 PolarHBondContact O-N 3.41Å |
| 549 | A | 75 | Confident | 75.6 | Confident | 49 Ų | 49 | 93.7 Ų | 93.7 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D545 H546 M552 K553 | D545-A549 PolarHBondContact O-N 3.49Å; H546-A549 PolarHBondContact O-N 2.94Å; A549-M552 PolarHBondContact O-N 3.02Å; A549-K553 WeakPolarHBondContact O-CB 3.46Å; A549-K553 PolarHBondContact O-N 3.43Å |
| 550 | E | 80.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 90 Ų | 90 | 28% | 0.28 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 172.7 | -80 | -63.1 | 135 | 0 | 0 | 111.6 | H546 E547 C548 M552 K553 H554 | H546-E550 PolarHBondContact O-N 2.95Å; E547-E550 PolarHBondContact O-N 3.34Å; C548-E550 VanDerWaalsContact C-N 3.32Å; C548-E550 PolarHBondContact O-N 3.23Å; E550-M552 PolarHBondContact O-N 3.49Å; E550-K553 VanDerWaalsContact CD-NZ 3.26Å; E550-K553 WeakPolarHBondContact O-CB 3.43Å; E550-K553 PolarHBondContact O-N 3.34Å; E550-K553 IonicContact OE1-NZ 3.98Å; E550-K553 PolarHBondContact OE1-NZ 3.21Å; E550-K553 IonicContact OE2-NZ 3.31Å; E550-K553 PolarHBondContact OE2-NZ 3.48Å; E550-H554 PolarHBondContact O-N 2.92Å; E550-H554 PolarHBondContact O-ND1 3.35Å; E550-H554 IonicContact OE2-CE1 2.58Å; E550-H554 PolarHBondContact OE2-CE1 3.37Å; E550-H554 IonicContact OE2-ND1 3.52Å |
| 551 | Q | 80.7 | Confident | 77.9 | Confident | 127 Ų | 127 | 87.8 Ų | 87.8 | 59% | 0.593 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.7 | -46.7 | 174.5 | -74 | 174 | 8.3 | 0 | 0 | 112.1 | E547 C548 K553 H554 E555 | E547-Q551 WeakPolarHBondContact O-CG 3.47Å; E547-Q551 PolarHBondContact O-N 2.97Å; C548-Q551 PolarHBondContact O-N 3.32Å; Q551-K553 VanDerWaalsContact C-N 3.27Å; Q551-K553 PolarHBondContact O-N 3.3Å; Q551-H554 PolarHBondContact O-N 3.44Å; Q551-H554 VanDerWaalsContact O-N 3.12Å; Q551-E555 PolarHBondContact O-N 3.4Å |
| 552 | M | 79.1 | Confident | 79 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 175.2 | -69.8 | 175.5 | 74.2 | 0 | 0 | 111.7 | F529 F533 L536 L542 P543 C548 A549 E550 E555 L556 | F529-M552 HydrophobicContact CE2-CE 3.94Å; F529-M552 HydrophobicContact CZ-CE 3.63Å; F533-M552 HydrophobicContact CB-CE 4.13Å; F533-M552 HydrophobicContact CD1-CE 3.59Å; F533-M552 HydrophobicContact CD1-CG 4.41Å; F533-M552 HydrophobicContact CD2-CE 3.77Å; F533-M552 HydrophobicContact CE1-CB 4.06Å; F533-M552 HydrophobicContact CE1-CE 3.89Å; F533-M552 HydrophobicContact CE1-CG 3.85Å; F533-M552 HydrophobicContact CE2-CB 4.3Å; F533-M552 HydrophobicContact CE2-CE 4.07Å; F533-M552 HydrophobicContact CG-CE 3.53Å; F533-M552 HydrophobicContact CZ-CB 3.73Å; F533-M552 HydrophobicContact CZ-CE 4.12Å; F533-M552 HydrophobicContact CZ-CG 4.06Å; F533-M552 WeakPolarHBondContact CZ-O 3.25Å; L536-M552 HydrophobicContact CD2-CE 4.45Å; L542-M552 HydrophobicContact CD2-CE 4.25Å; P543-M552 HydrophobicContact CG-SD 3.88Å; C548-M552 WeakPolarHBondContact O-CG 3.26Å; C548-M552 PolarHBondContact O-N 3.41Å; A549-M552 PolarHBondContact O-N 3.02Å; E550-M552 PolarHBondContact O-N 3.49Å; M552-E555 PolarHBondContact O-N 2.84Å; M552-L556 WeakPolarHBondContact O-CB 3.33Å; M552-L556 PolarHBondContact O-N 2.89Å |
| 553 | K | 83.2 | Confident | 80.2 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 37% | 0.37 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.3 | 171.5 | -180 | 158.7 | -148.3 | 0 | 112.1 | A549 E550 Q551 E555 L556 Y557 | A549-K553 WeakPolarHBondContact O-CB 3.46Å; A549-K553 PolarHBondContact O-N 3.43Å; E550-K553 VanDerWaalsContact CD-NZ 3.26Å; E550-K553 WeakPolarHBondContact O-CB 3.43Å; E550-K553 PolarHBondContact O-N 3.34Å; E550-K553 IonicContact OE1-NZ 3.98Å; E550-K553 PolarHBondContact OE1-NZ 3.21Å; E550-K553 IonicContact OE2-NZ 3.31Å; E550-K553 PolarHBondContact OE2-NZ 3.48Å; Q551-K553 VanDerWaalsContact C-N 3.27Å; Q551-K553 PolarHBondContact O-N 3.3Å; K553-E555 VanDerWaalsContact C-N 3.34Å; K553-L556 PolarHBondContact O-N 3Å; K553-Y557 HydrophobicContact CD-CE2 4.09Å; K553-Y557 HydrophobicContact CG-CD2 3.74Å; K553-Y557 HydrophobicContact CG-CE2 3.46Å; K553-Y557 VanDerWaalsContact CG-CE2 3.46Å; K553-Y557 WeakPolarHBondContact O-CB 3.18Å; K553-Y557 WeakPolarHBondContact O-CD2 3.46Å; K553-Y557 PolarHBondContact O-N 3.03Å |
| 554 | H | 84.4 | Confident | 81.4 | Confident | 119 Ų | 119 | 83.3 Ų | 83.3 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 176 | -75.9 | 70.1 | 0 | 0 | 0 | 111.3 | E550 Q551 Y557 Y558 | E550-H554 PolarHBondContact O-N 2.92Å; E550-H554 PolarHBondContact O-ND1 3.35Å; E550-H554 IonicContact OE2-CE1 2.58Å; E550-H554 PolarHBondContact OE2-CE1 3.37Å; E550-H554 IonicContact OE2-ND1 3.52Å; Q551-H554 PolarHBondContact O-N 3.44Å; Q551-H554 VanDerWaalsContact O-N 3.12Å; H554-Y557 PolarHBondContact O-N 2.83Å; H554-Y558 WeakPolarHBondContact O-CB 3.34Å; H554-Y558 PolarHBondContact O-N 3.04Å |
| 555 | E | 85 | Confident | 82.6 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 52% | 0.523 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 176 | -172 | 172.4 | -166.5 | 0 | 0 | 112 | Q551 M552 K553 Y557 Y558 S559 | Q551-E555 PolarHBondContact O-N 3.4Å; M552-E555 PolarHBondContact O-N 2.84Å; K553-E555 VanDerWaalsContact C-N 3.34Å; E555-Y557 VanDerWaalsContact C-N 3.34Å; E555-Y557 PolarHBondContact O-N 3.28Å; E555-Y558 PolarHBondContact O-N 3.46Å; E555-S559 WeakPolarHBondContact O-CB 3.34Å; E555-S559 PolarHBondContact O-N 3.4Å |
| 556 | L | 84.3 | Confident | 83 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 173.5 | -178.7 | 67.8 | 0 | 0 | 0 | 111.1 | E528 F529 M532 M552 K553 S559 L560 | E528-L556 HydrophobicContact CB-CD1 4.49Å; F529-L556 HydrophobicContact CD2-CD2 4.24Å; M532-L556 HydrophobicContact SD-CD1 3.94Å; M552-L556 WeakPolarHBondContact O-CB 3.33Å; M552-L556 PolarHBondContact O-N 2.89Å; K553-L556 PolarHBondContact O-N 3Å; L556-S559 PolarHBondContact O-N 3.47Å; L556-L560 HydrophobicContact CD1-CD1 4.09Å; L556-L560 HydrophobicContact CD1-CG 4.3Å; L556-L560 HydrophobicContact CD2-CD1 4.36Å; L556-L560 HydrophobicContact CG-CD1 3.77Å; L556-L560 HydrophobicContact CG-CG 4.39Å; L556-L560 WeakPolarHBondContact O-CB 3.47Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.3Å; L556-L560 PolarHBondContact O-N 3.28Å |
| 557 | Y | 85 | Confident | 83.6 | Confident | 117 Ų | 117 | 79.5 Ų | 79.5 | 46% | 0.459 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.8 | -82 | -52.4 | 0 | 0 | 0 | 112.7 | K553 H554 E555 S559 L560 N561 | K553-Y557 HydrophobicContact CD-CE2 4.09Å; K553-Y557 HydrophobicContact CG-CD2 3.74Å; K553-Y557 HydrophobicContact CG-CE2 3.46Å; K553-Y557 VanDerWaalsContact CG-CE2 3.46Å; K553-Y557 WeakPolarHBondContact O-CB 3.18Å; K553-Y557 WeakPolarHBondContact O-CD2 3.46Å; K553-Y557 PolarHBondContact O-N 3.03Å; H554-Y557 PolarHBondContact O-N 2.83Å; E555-Y557 VanDerWaalsContact C-N 3.34Å; E555-Y557 PolarHBondContact O-N 3.28Å; Y557-S559 VanDerWaalsContact C-N 3.32Å; Y557-S559 PolarHBondContact O-N 2.91Å; Y557-L560 PolarHBondContact O-N 2.97Å; Y557-N561 WeakPolarHBondContact O-CB 3.42Å; Y557-N561 PolarHBondContact O-N 3.4Å |
| 558 | Y | 87.7 | Confident | 83.9 | Confident | 174 Ų | 174 | 75.1 Ų | 75.1 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 176.3 | 179.5 | -97.3 | 0 | 0 | 0 | 110.9 | H554 E555 N561 S562 | H554-Y558 WeakPolarHBondContact O-CB 3.34Å; H554-Y558 PolarHBondContact O-N 3.04Å; E555-Y558 PolarHBondContact O-N 3.46Å; Y558-N561 PolarHBondContact O-N 3.01Å; Y558-S562 VanDerWaalsContact O-CB 3.31Å; Y558-S562 WeakPolarHBondContact O-CB 3.18Å; Y558-S562 PolarHBondContact O-N 3.24Å; Y558-S562 PolarHBondContact O-OG 3.12Å |
| 559 | S | 84.6 | Confident | 84.3 | Confident | 24 Ų | 24 | 74 Ų | 74 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | M532 E555 L556 Y557 N561 S562 S563 | M532-S559 WeakPolarHBondContact CE-OG 3.32Å; M532-S559 WeakPolarHBondContact SD-CB 3.35Å; M532-S559 PolarHBondContact SD-OG 3.46Å; E555-S559 WeakPolarHBondContact O-CB 3.34Å; E555-S559 PolarHBondContact O-N 3.4Å; L556-S559 PolarHBondContact O-N 3.47Å; Y557-S559 VanDerWaalsContact C-N 3.32Å; Y557-S559 PolarHBondContact O-N 2.91Å; S559-N561 VanDerWaalsContact C-N 3.29Å; S559-N561 PolarHBondContact O-N 3.48Å; S559-S562 WeakPolarHBondContact CA-OG 3.47Å; S559-S562 PolarHBondContact O-N 3.21Å; S559-S562 PolarHBondContact O-OG 3.17Å; S559-S563 WeakPolarHBondContact O-CB 3.4Å; S559-S563 PolarHBondContact O-N 2.82Å; S559-S563 PolarHBondContact O-OG 2.79Å |
| 560 | L | 84.4 | Confident | 84.8 | Confident | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | 177.4 | -74.4 | 168.6 | 0 | 0 | 0 | 112.4 | L525 E528 L556 Y557 S563 G564 K565 Y566 F569 | L525-L560 HydrophobicContact CD2-CD1 3.58Å; L525-L560 HydrophobicContact CD2-CD2 4.15Å; E528-L560 HydrophobicContact CG-CD2 4.46Å; L556-L560 HydrophobicContact CD1-CD1 4.09Å; L556-L560 HydrophobicContact CD1-CG 4.3Å; L556-L560 HydrophobicContact CD2-CD1 4.36Å; L556-L560 HydrophobicContact CG-CD1 3.77Å; L556-L560 HydrophobicContact CG-CG 4.39Å; L556-L560 WeakPolarHBondContact O-CB 3.47Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.3Å; L556-L560 PolarHBondContact O-N 3.28Å; Y557-L560 PolarHBondContact O-N 2.97Å; L560-S563 PolarHBondContact O-OG 3.23Å; L560-G564 PolarHBondContact O-N 3.36Å; L560-K565 HydrophobicContact CD2-CB 4.03Å; L560-K565 PolarHBondContact O-N 3.48Å; L560-Y566 WeakPolarHBondContact O-CB 3.31Å; L560-Y566 PolarHBondContact O-N 3.18Å; L560-F569 HydrophobicContact CD2-CE2 3.85Å |
| 561 | N | 87.1 | Confident | 85.1 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -77 | -43.9 | 176.5 | -80.2 | -13.9 | 0 | 0 | 0 | 112.8 | Y557 Y558 S559 G564 Y566 | Y557-N561 WeakPolarHBondContact O-CB 3.42Å; Y557-N561 PolarHBondContact O-N 3.4Å; Y558-N561 PolarHBondContact O-N 3.01Å; S559-N561 VanDerWaalsContact C-N 3.29Å; S559-N561 PolarHBondContact O-N 3.48Å; N561-G564 PolarHBondContact O-N 3.04Å; N561-Y566 WeakPolarHBondContact OD1-CB 3.44Å; N561-Y566 WeakPolarHBondContact OD1-CD1 3.39Å; N561-Y566 VanDerWaalsContact OD1-CG 3.31Å |
| 562 | S | 86.5 | Confident | 85.3 | Confident | 82 Ų | 82 | 76 Ų | 76 | 57% | 0.573 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.7 | -32.7 | 179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | Y558 S559 G564 | Y558-S562 VanDerWaalsContact O-CB 3.31Å; Y558-S562 WeakPolarHBondContact O-CB 3.18Å; Y558-S562 PolarHBondContact O-N 3.24Å; Y558-S562 PolarHBondContact O-OG 3.12Å; S559-S562 WeakPolarHBondContact CA-OG 3.47Å; S559-S562 PolarHBondContact O-N 3.21Å; S559-S562 PolarHBondContact O-OG 3.17Å; S562-G564 VanDerWaalsContact C-N 3.31Å |
| 563 | S | 86.2 | Confident | 85.7 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.1 | 174.1 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | S559 L560 K565 | S559-S563 WeakPolarHBondContact O-CB 3.4Å; S559-S563 PolarHBondContact O-N 2.82Å; S559-S563 PolarHBondContact O-OG 2.79Å; L560-S563 PolarHBondContact O-OG 3.23Å; S563-K565 PolarHBondContact O-N 2.82Å; S563-K565 WeakPolarHBondContact OG-CG 3.14Å; S563-K565 PolarHBondContact OG-N 3.28Å |
| 564 | G | 86.8 | Confident | 86 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 73.6 | -1.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L560 N561 S562 Y566 F567 A568 | L560-G564 PolarHBondContact O-N 3.36Å; N561-G564 PolarHBondContact O-N 3.04Å; S562-G564 VanDerWaalsContact C-N 3.31Å; G564-Y566 VanDerWaalsContact C-N 3.28Å; G564-Y566 PolarHBondContact O-N 3.24Å; G564-F567 WeakPolarHBondContact O-CB 3.29Å; G564-F567 PolarHBondContact O-N 3.08Å; G564-F567 VanDerWaalsContact O-N 3.1Å; G564-A568 PolarHBondContact O-N 3.48Å |
| 565 | K | 84.6 | Confident | 86.1 | Confident | 79 Ų | 79 | 79.3 Ų | 79.3 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 179.2 | -67.2 | 178.3 | -172.3 | 178.7 | 0 | 112.5 | E528 L560 S563 F567 A568 F569 | E528-K565 HydrophobicContact CG-CD 4.34Å; E528-K565 IonicContact OE1-NZ 2.84Å; E528-K565 PolarHBondContact OE1-NZ 3.4Å; E528-K565 IonicContact OE2-NZ 2.93Å; E528-K565 PolarHBondContact OE2-NZ 3.01Å; L560-K565 HydrophobicContact CD2-CB 4.03Å; L560-K565 PolarHBondContact O-N 3.48Å; S563-K565 PolarHBondContact O-N 2.82Å; S563-K565 WeakPolarHBondContact OG-CG 3.14Å; S563-K565 PolarHBondContact OG-N 3.28Å; K565-F567 VanDerWaalsContact C-N 3.26Å; K565-F567 PolarHBondContact O-N 3.39Å; K565-A568 WeakPolarHBondContact O-CB 3.27Å; K565-A568 PolarHBondContact O-N 3.27Å; K565-A568 VanDerWaalsContact O-N 3.1Å; K565-F569 HydrophobicContact CB-CE2 4.45Å; K565-F569 HydrophobicContact CB-CZ 4.46Å; K565-F569 WeakPolarHBondContact O-CD2 3.37Å; K565-F569 WeakPolarHBondContact O-CG 3.41Å; K565-F569 PolarHBondContact O-N 3.29Å |
| 566 | Y | 84.6 | Confident | 86.2 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | 174.4 | -177.3 | -112.6 | 0 | 0 | 0 | 112.5 | L560 N561 G564 F569 K570 | L560-Y566 WeakPolarHBondContact O-CB 3.31Å; L560-Y566 PolarHBondContact O-N 3.18Å; N561-Y566 WeakPolarHBondContact OD1-CB 3.44Å; N561-Y566 WeakPolarHBondContact OD1-CD1 3.39Å; N561-Y566 VanDerWaalsContact OD1-CG 3.31Å; G564-Y566 VanDerWaalsContact C-N 3.28Å; G564-Y566 PolarHBondContact O-N 3.24Å; Y566-F569 PolarHBondContact O-N 3.48Å; Y566-K570 HydrophobicContact CD1-CD 4.41Å; Y566-K570 HydrophobicContact CE1-CD 4Å; Y566-K570 PolarHBondContact O-N 3.09Å; Y566-K570 WeakPolarHBondContact OH-CE 3.46Å; Y566-K570 PolarHBondContact OH-NZ 2.94Å |
| 567 | F | 88.8 | Confident | 86.3 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 61% | 0.605 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 175.9 | -177.5 | -98 | 0 | 0 | 0 | 111.6 | G564 K565 F569 K570 E571 | G564-F567 WeakPolarHBondContact O-CB 3.29Å; G564-F567 PolarHBondContact O-N 3.08Å; G564-F567 VanDerWaalsContact O-N 3.1Å; K565-F567 VanDerWaalsContact C-N 3.26Å; K565-F567 PolarHBondContact O-N 3.39Å; F567-F569 PolarHBondContact O-N 2.87Å; F567-K570 WeakPolarHBondContact O-CB 3.44Å; F567-K570 PolarHBondContact O-N 3.04Å; F567-E571 HydrophobicContact CD1-CG 4.46Å; F567-E571 HydrophobicContact CE1-CG 3.93Å; F567-E571 HydrophobicContact CZ-CG 4Å; F567-E571 PolarHBondContact O-N 3.13Å; F567-E571 VanDerWaalsContact O-N 3.08Å |
| 568 | A | 87.2 | Confident | 86.3 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G564 K565 E571 R572 | G564-A568 PolarHBondContact O-N 3.48Å; K565-A568 WeakPolarHBondContact O-CB 3.27Å; K565-A568 PolarHBondContact O-N 3.27Å; K565-A568 VanDerWaalsContact O-N 3.1Å; A568-E571 PolarHBondContact O-N 3.26Å; A568-R572 PolarHBondContact O-N 3.02Å; A568-R572 VanDerWaalsContact O-N 3.09Å |
| 569 | F | 86 | Confident | 86.2 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.4 | -59.6 | -32.4 | 0 | 0 | 0 | 112.2 | V521 Y524 L525 L560 K565 Y566 F567 R572 L573 | V521-F569 HydrophobicContact CG1-CB 4.23Å; V521-F569 HydrophobicContact CG1-CD1 4.22Å; V521-F569 HydrophobicContact CG1-CD2 4.35Å; V521-F569 HydrophobicContact CG1-CG 4.03Å; V521-F569 HydrophobicContact CG2-CB 4.43Å; V521-F569 HydrophobicContact CG2-CD1 4.11Å; V521-F569 HydrophobicContact CG2-CG 4.47Å; Y524-F569 HydrophobicContact CD2-CE1 4.48Å; Y524-F569 HydrophobicContact CG-CE1 4.3Å; L525-F569 HydrophobicContact CD2-CD2 4.25Å; L525-F569 HydrophobicContact CD2-CE2 3.65Å; L525-F569 HydrophobicContact CD2-CZ 4.47Å; L525-F569 HydrophobicContact CG-CE2 4.03Å; L560-F569 HydrophobicContact CD2-CE2 3.85Å; K565-F569 HydrophobicContact CB-CE2 4.45Å; K565-F569 HydrophobicContact CB-CZ 4.46Å; K565-F569 WeakPolarHBondContact O-CD2 3.37Å; K565-F569 WeakPolarHBondContact O-CG 3.41Å; K565-F569 PolarHBondContact O-N 3.29Å; Y566-F569 PolarHBondContact O-N 3.48Å; F567-F569 PolarHBondContact O-N 2.87Å; F569-R572 PolarHBondContact O-N 3.42Å; F569-L573 WeakPolarHBondContact O-CG 3.31Å; F569-L573 PolarHBondContact O-N 3.03Å |
| 570 | K | 85.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 174.7 | -77.3 | -176.6 | 169.8 | 177.2 | 0 | 111.9 | Y566 F567 R572 L573 K574 | Y566-K570 HydrophobicContact CD1-CD 4.41Å; Y566-K570 HydrophobicContact CE1-CD 4Å; Y566-K570 PolarHBondContact O-N 3.09Å; Y566-K570 WeakPolarHBondContact OH-CE 3.46Å; Y566-K570 PolarHBondContact OH-NZ 2.94Å; F567-K570 WeakPolarHBondContact O-CB 3.44Å; F567-K570 PolarHBondContact O-N 3.04Å; K570-R572 PolarHBondContact O-N 3.23Å; K570-L573 PolarHBondContact O-N 3.39Å; K570-K574 VanDerWaalsContact O-CB 3.3Å; K570-K574 WeakPolarHBondContact O-CB 3.35Å; K570-K574 PolarHBondContact O-N 3.36Å |
| 571 | E | 85.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -36 | -179.7 | -74.5 | -61.5 | 118.8 | 0 | 0 | 112.6 | F567 A568 K574 F575 | F567-E571 HydrophobicContact CD1-CG 4.46Å; F567-E571 HydrophobicContact CE1-CG 3.93Å; F567-E571 HydrophobicContact CZ-CG 4Å; F567-E571 PolarHBondContact O-N 3.13Å; F567-E571 VanDerWaalsContact O-N 3.08Å; A568-E571 PolarHBondContact O-N 3.26Å; E571-K574 VanDerWaalsContact CD-NZ 3.32Å; E571-K574 WeakPolarHBondContact O-CB 3.42Å; E571-K574 WeakPolarHBondContact OE1-CD 3.44Å; E571-K574 IonicContact OE1-NZ 2.7Å; E571-K574 PolarHBondContact OE1-NZ 3.19Å; E571-K574 IonicContact OE2-NZ 3.42Å; E571-K574 PolarHBondContact OE2-NZ 3.21Å; E571-F575 VanDerWaalsContact O-CD2 3.25Å; E571-F575 WeakPolarHBondContact O-CD2 3.41Å |
| 572 | R | 85.1 | Confident | 85.9 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -52.1 | 172.5 | -92.3 | -173.7 | 165.8 | 97.1 | -4.4 | 112.5 | A568 F569 K570 K574 F575 | A568-R572 PolarHBondContact O-N 3.02Å; A568-R572 VanDerWaalsContact O-N 3.09Å; F569-R572 PolarHBondContact O-N 3.42Å; K570-R572 PolarHBondContact O-N 3.23Å; R572-K574 VanDerWaalsContact C-N 3.25Å; R572-K574 PolarHBondContact O-N 2.51Å; R572-F575 PolarHBondContact O-N 3.15Å |
| 573 | L | 87.6 | Confident | 85.6 | Confident | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | -178.5 | -71.9 | 172.6 | 0 | 0 | 0 | 111.5 | Y514 Q517 I518 F569 K570 F575 A576 V577 | Y514-L573 HydrophobicContact CE2-CD2 4.18Å; Q517-L573 HydrophobicContact CB-CD2 4.35Å; I518-L573 HydrophobicContact CG1-CD2 4.04Å; F569-L573 WeakPolarHBondContact O-CG 3.31Å; F569-L573 PolarHBondContact O-N 3.03Å; K570-L573 PolarHBondContact O-N 3.39Å; L573-F575 PolarHBondContact O-N 3.04Å; L573-A576 PolarHBondContact O-N 3.16Å; L573-V577 WeakPolarHBondContact O-CB 3.29Å; L573-V577 WeakPolarHBondContact O-CG2 3.47Å; L573-V577 PolarHBondContact O-N 2.93Å |
| 574 | K | 89.4 | Confident | 85.2 | Confident | 101 Ų | 101 | 71.1 Ų | 71.1 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 176.8 | 177.6 | -175 | 175.8 | -170.4 | 0 | 112.9 | K570 E571 R572 V577 I578 | K570-K574 VanDerWaalsContact O-CB 3.3Å; K570-K574 WeakPolarHBondContact O-CB 3.35Å; K570-K574 PolarHBondContact O-N 3.36Å; E571-K574 VanDerWaalsContact CD-NZ 3.32Å; E571-K574 WeakPolarHBondContact O-CB 3.42Å; E571-K574 WeakPolarHBondContact OE1-CD 3.44Å; E571-K574 IonicContact OE1-NZ 2.7Å; E571-K574 PolarHBondContact OE1-NZ 3.19Å; E571-K574 IonicContact OE2-NZ 3.42Å; E571-K574 PolarHBondContact OE2-NZ 3.21Å; R572-K574 VanDerWaalsContact C-N 3.25Å; R572-K574 PolarHBondContact O-N 2.51Å; K574-V577 PolarHBondContact O-N 3.3Å; K574-I578 HydrophobicContact CG-CD1 3.93Å; K574-I578 WeakPolarHBondContact O-CB 3.38Å; K574-I578 WeakPolarHBondContact O-CG1 3.49Å; K574-I578 PolarHBondContact O-N 2.94Å |
| 575 | F | 86.6 | Confident | 84.7 | Confident | 144 Ų | 144 | 72 Ų | 72 | 63% | 0.632 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 178.4 | -76.4 | -72.6 | 0 | 0 | 0 | 112.6 | E571 R572 L573 I578 K579 | E571-F575 VanDerWaalsContact O-CD2 3.25Å; E571-F575 WeakPolarHBondContact O-CD2 3.41Å; R572-F575 PolarHBondContact O-N 3.15Å; L573-F575 PolarHBondContact O-N 3.04Å; F575-I578 PolarHBondContact O-N 3.04Å; F575-K579 PolarHBondContact O-N 3.24Å; F575-K579 VanDerWaalsContact O-N 3.1Å |
| 576 | A | 86.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y514 Q517 L573 K579 I580 | Y514-A576 HydrophobicContact CD2-CB 3.96Å; Q517-A576 HydrophobicContact CB-CB 4.43Å; Q517-A576 HydrophobicContact CG-CB 4.02Å; L573-A576 PolarHBondContact O-N 3.16Å; A576-K579 WeakPolarHBondContact O-CB 3.35Å; A576-K579 PolarHBondContact O-N 3.02Å; A576-I580 PolarHBondContact O-N 2.91Å |
| 577 | V | 87.1 | Confident | 83.3 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | Y514 L573 K574 K579 I580 V581 L604 L608 | Y514-V577 HydrophobicContact CD2-CG2 4.32Å; Y514-V577 HydrophobicContact CE2-CG2 3.83Å; L573-V577 WeakPolarHBondContact O-CB 3.29Å; L573-V577 WeakPolarHBondContact O-CG2 3.47Å; L573-V577 PolarHBondContact O-N 2.93Å; K574-V577 PolarHBondContact O-N 3.3Å; V577-K579 PolarHBondContact O-N 3.2Å; V577-I580 WeakPolarHBondContact O-CB 3.26Å; V577-I580 PolarHBondContact O-N 3.42Å; V577-I580 VanDerWaalsContact O-N 3.12Å; V577-V581 HydrophobicContact CG1-CG2 4.28Å; V577-V581 WeakPolarHBondContact O-CG2 3.45Å; V577-V581 PolarHBondContact O-N 3.22Å; V577-L604 HydrophobicContact CG1-CD2 4.34Å; V577-L608 HydrophobicContact CB-CD1 4.37Å; V577-L608 HydrophobicContact CG1-CD1 3.72Å; V577-L608 HydrophobicContact CG2-CD1 3.68Å; V577-L608 HydrophobicContact CG2-CD2 3.94Å; V577-L608 HydrophobicContact CG2-CG 4.47Å |
| 578 | I | 85.5 | Confident | 82.3 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 175.7 | -71.4 | 164.8 | 0 | 0 | 0 | 110.6 | K574 F575 V581 R582 | K574-I578 HydrophobicContact CG-CD1 3.93Å; K574-I578 WeakPolarHBondContact O-CB 3.38Å; K574-I578 WeakPolarHBondContact O-CG1 3.49Å; K574-I578 PolarHBondContact O-N 2.94Å; F575-I578 PolarHBondContact O-N 3.04Å; I578-V581 PolarHBondContact O-N 2.93Å; I578-R582 HydrophobicContact CG2-CG 4.4Å; I578-R582 WeakPolarHBondContact O-CB 3.31Å; I578-R582 VanDerWaalsContact O-CG 3.31Å; I578-R582 WeakPolarHBondContact O-CG 3.27Å; I578-R582 PolarHBondContact O-N 2.94Å |
| 579 | K | 85.3 | Confident | 81.7 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 41% | 0.409 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 177.1 | -162.8 | 176.9 | -177.4 | 177.3 | 0 | 111.8 | A510 F575 A576 V577 R582 E583 | A510-K579 HydrophobicContact CB-CD 4.32Å; A510-K579 HydrophobicContact CB-CG 3.97Å; F575-K579 PolarHBondContact O-N 3.24Å; F575-K579 VanDerWaalsContact O-N 3.1Å; A576-K579 WeakPolarHBondContact O-CB 3.35Å; A576-K579 PolarHBondContact O-N 3.02Å; V577-K579 PolarHBondContact O-N 3.2Å; K579-R582 PolarHBondContact O-N 3.15Å; K579-E583 HydrophobicContact CG-CG 4.29Å; K579-E583 VanDerWaalsContact O-CB 3.29Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.32Å; K579-E583 WeakPolarHBondContact O-CG 3.43Å; K579-E583 PolarHBondContact O-N 3.38Å |
| 580 | I | 84.5 | Confident | 81 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 173 | -73.5 | 176.7 | 0 | 0 | 0 | 111.3 | A510 Y514 A576 V577 R582 E583 K584 F585 Y607 L608 | A510-I580 HydrophobicContact CB-CG1 4.31Å; Y514-I580 VanDerWaalsContact CB-CD1 3.44Å; Y514-I580 HydrophobicContact CD1-CD1 3.86Å; Y514-I580 HydrophobicContact CD2-CD1 4.05Å; Y514-I580 HydrophobicContact CG-CD1 3.52Å; A576-I580 PolarHBondContact O-N 2.91Å; V577-I580 WeakPolarHBondContact O-CB 3.26Å; V577-I580 PolarHBondContact O-N 3.42Å; V577-I580 VanDerWaalsContact O-N 3.12Å; I580-R582 VanDerWaalsContact C-N 3.3Å; I580-R582 PolarHBondContact O-N 3.34Å; I580-E583 PolarHBondContact O-N 3.41Å; I580-K584 HydrophobicContact CG2-CB 4.38Å; I580-K584 WeakPolarHBondContact O-CA 3.44Å; I580-K584 VanDerWaalsContact O-CB 3.29Å; I580-K584 WeakPolarHBondContact O-CB 3.25Å; I580-K584 PolarHBondContact O-N 3.3Å; I580-F585 HydrophobicContact CG2-CD2 4.23Å; I580-F585 HydrophobicContact CG2-CE2 4.11Å; I580-F585 PolarHBondContact O-N 2.99Å; I580-Y607 HydrophobicContact CG2-CD1 4.41Å; I580-Y607 HydrophobicContact CG2-CE1 3.8Å; I580-L608 HydrophobicContact CD1-CD2 3.99Å |
| 581 | V | 84.2 | Confident | 80.6 | Confident | 23 Ų | 23 | 85 Ų | 85 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | -179.7 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | V577 I578 F585 F586 R587 F600 L604 | V577-V581 HydrophobicContact CG1-CG2 4.28Å; V577-V581 WeakPolarHBondContact O-CG2 3.45Å; V577-V581 PolarHBondContact O-N 3.22Å; I578-V581 PolarHBondContact O-N 2.93Å; V581-F585 CarbonylContact O-C 3.6Å; V581-F585 WeakPolarHBondContact O-CB 3.4Å; V581-F585 PolarHBondContact O-N 3.2Å; V581-F586 PolarHBondContact O-N 3.03Å; V581-R587 HydrophobicContact CG1-CB 4.02Å; V581-R587 PolarHBondContact O-N 2.87Å; V581-F600 HydrophobicContact CG1-CE1 4.45Å; V581-F600 HydrophobicContact CG1-CZ 3.99Å; V581-F600 HydrophobicContact CG2-CZ 4.28Å; V581-L604 HydrophobicContact CG2-CD1 3.84Å; V581-L604 HydrophobicContact CG2-CD2 3.66Å; V581-L604 HydrophobicContact CG2-CG 4.43Å |
| 582 | R | 80.6 | Confident | 80.4 | Confident | 157 Ų | 157 | 89.2 Ų | 89.2 | 59% | 0.592 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.4 | -48.8 | 177.6 | -71.6 | 177.4 | -178.3 | -176.1 | 1.9 | 112.6 | I578 K579 I580 F586 | I578-R582 HydrophobicContact CG2-CG 4.4Å; I578-R582 WeakPolarHBondContact O-CB 3.31Å; I578-R582 VanDerWaalsContact O-CG 3.31Å; I578-R582 WeakPolarHBondContact O-CG 3.27Å; I578-R582 PolarHBondContact O-N 2.94Å; K579-R582 PolarHBondContact O-N 3.15Å; I580-R582 VanDerWaalsContact C-N 3.3Å; I580-R582 PolarHBondContact O-N 3.34Å; R582-F586 WeakPolarHBondContact O-CA 3.31Å |
| 583 | E | 79.8 | Confident | 80.3 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -85.6 | -32.8 | -170.7 | -65.2 | -66.6 | 152.9 | 0 | 0 | 113.9 | T506 A510 K579 I580 F586 | T506-E583 WeakPolarHBondContact CB-OE2 3.29Å; T506-E583 PolarHBondContact OG1-OE2 3.13Å; A510-E583 HydrophobicContact CB-CB 4.11Å; A510-E583 HydrophobicContact CB-CG 4.28Å; K579-E583 HydrophobicContact CG-CG 4.29Å; K579-E583 VanDerWaalsContact O-CB 3.29Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.32Å; K579-E583 WeakPolarHBondContact O-CG 3.43Å; K579-E583 PolarHBondContact O-N 3.38Å; I580-E583 PolarHBondContact O-N 3.41Å; E583-F586 WeakPolarHBondContact O-CE1 3.41Å |
| 584 | K | 77.3 | Confident | 80.2 | Confident | 81 Ų | 81 | 92 Ų | 92 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -43.6 | -176.2 | -175.3 | 167.3 | 179 | 163.6 | 0 | 113.4 | A507 I580 F586 Y607 | A507-K584 HydrophobicContact CB-CB 4.47Å; I580-K584 HydrophobicContact CG2-CB 4.38Å; I580-K584 WeakPolarHBondContact O-CA 3.44Å; I580-K584 VanDerWaalsContact O-CB 3.29Å; I580-K584 WeakPolarHBondContact O-CB 3.25Å; I580-K584 PolarHBondContact O-N 3.3Å; K584-F586 WeakPolarHBondContact O-CD2 3.34Å; K584-F586 WeakPolarHBondContact O-CE2 3.46Å; K584-Y607 HydrophobicContact CD-CE1 4.23Å; K584-Y607 HydrophobicContact CD-CE2 4.3Å; K584-Y607 VanDerWaalsContact CD-OH 3.31Å; K584-Y607 WeakPolarHBondContact CD-OH 3.46Å; K584-Y607 WeakPolarHBondContact CE-OH 3.49Å; K584-Y607 PolarHBondContact NZ-OH 3.39Å |
| 585 | F | 77.8 | Confident | 80.1 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 24% | 0.237 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -90 | -7.8 | 179.8 | -69.4 | -84.3 | 0 | 0 | 0 | 113.2 | I580 V581 R587 F600 L604 Y607 | I580-F585 HydrophobicContact CG2-CD2 4.23Å; I580-F585 HydrophobicContact CG2-CE2 4.11Å; I580-F585 PolarHBondContact O-N 2.99Å; V581-F585 CarbonylContact O-C 3.6Å; V581-F585 WeakPolarHBondContact O-CB 3.4Å; V581-F585 PolarHBondContact O-N 3.2Å; F585-R587 HydrophobicContact CB-CG 4.28Å; F585-R587 WeakPolarHBondContact O-CG 3.17Å; F585-R587 PolarHBondContact O-N 3.4Å; F585-R587 PolarHBondContact O-NH1 3Å; F585-F600 HydrophobicContact CB-CE2 4.06Å; F585-F600 HydrophobicContact CB-CZ 4.38Å; F585-F600 AromaticContact CD1-CE2 3.91Å; F585-F600 HydrophobicContact CD1-CE2 3.91Å; F585-F600 AromaticContact CG-CE2 3.97Å; F585-F600 HydrophobicContact CG-CE2 3.97Å; F585-F600 HydrophobicContact CG-CZ 4.42Å; F585-L604 HydrophobicContact CD2-CD1 4.17Å; F585-L604 HydrophobicContact CE2-CD1 3.68Å; F585-L604 HydrophobicContact CZ-CD1 4.32Å; F585-Y607 AromaticContact CE2-CD1 3.86Å; F585-Y607 HydrophobicContact CE2-CD1 3.86Å; F585-Y607 HydrophobicContact CE2-CE1 4.27Å; F585-Y607 HydrophobicContact CE2-CG 4.35Å; F585-Y607 HydrophobicContact CZ-CD1 4.03Å; F585-Y607 HydrophobicContact CZ-CG 4.05Å |
| 586 | F | 70.5 | Confident | 79.9 | Confident | 128 Ų | 128 | 92.8 Ų | 92.8 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | 52.9 | 35.9 | -179.9 | -51.8 | -76.3 | 0 | 0 | 0 | 113.1 | V581 R582 E583 K584 | V581-F586 PolarHBondContact O-N 3.03Å; R582-F586 WeakPolarHBondContact O-CA 3.31Å; E583-F586 WeakPolarHBondContact O-CE1 3.41Å; K584-F586 WeakPolarHBondContact O-CD2 3.34Å; K584-F586 WeakPolarHBondContact O-CE2 3.46Å | ||
| 587 | R | 69.2 | Low | 79.7 | Confident | 135 Ų | 135 | 95.3 Ų | 95.3 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | trans | -106.7 | 106.5 | -179.1 | -65.3 | -60 | -178.4 | -97.8 | 6.3 | 110.9 | V581 F585 F600 | V581-R587 HydrophobicContact CG1-CB 4.02Å; V581-R587 PolarHBondContact O-N 2.87Å; F585-R587 HydrophobicContact CB-CG 4.28Å; F585-R587 WeakPolarHBondContact O-CG 3.17Å; F585-R587 PolarHBondContact O-N 3.4Å; F585-R587 PolarHBondContact O-NH1 3Å; R587-F600 HydrophobicContact CG-CE2 4.22Å; R587-F600 HydrophobicContact CG-CZ 4.38Å | ||
| 588 | T | 66.9 | Low | 79.7 | Confident | 117 Ų | 117 | 99.1 Ų | 99.1 | 72% | 0.718 | 48% | 0.478 | S | S | * | . | trans | -113.2 | -16.9 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 589 | K | 74.3 | Confident | 79.7 | Confident | 177 Ų | 177 | 100.4 Ų | 100.4 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -98.6 | 147 | -177.5 | -63.7 | -176.2 | -178.9 | -179.1 | 0 | 111.8 | ||
| 590 | P | 72.6 | Confident | 79.7 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 79% | 0.786 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 149.8 | 175.2 | 29 | -33.7 | 0 | 0 | 0 | 111.7 | ||
| 591 | F | 75.7 | Confident | 79.8 | Confident | 67 Ų | 67 | 101 Ų | 101 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 136.5 | 177.9 | -68.6 | -95.8 | 0 | 0 | 0 | 110.7 | Q596 L597 F600 | F591-Q596 HydrophobicContact CD1-CB 4.14Å; F591-L597 HydrophobicContact CB-CB 3.88Å; F591-L597 HydrophobicContact CB-CD1 4.39Å; F591-L597 HydrophobicContact CD1-CB 4.3Å; F591-L597 HydrophobicContact CD2-CB 4.27Å; F591-L597 HydrophobicContact CD2-CD1 3.41Å; F591-L597 VanDerWaalsContact CD2-CD1 3.41Å; F591-L597 HydrophobicContact CD2-CG 4.4Å; F591-L597 HydrophobicContact CE2-CD1 3.79Å; F591-L597 HydrophobicContact CG-CB 3.9Å; F591-L597 HydrophobicContact CG-CD1 3.96Å; F591-F600 HydrophobicContact CE1-CB 3.94Å; F591-F600 HydrophobicContact CE1-CG 4.28Å; F591-F600 AromaticContact CE2-CD1 3.73Å; F591-F600 HydrophobicContact CE2-CD1 3.73Å; F591-F600 HydrophobicContact CE2-CE1 4.27Å; F591-F600 HydrophobicContact CE2-CG 4.23Å; F591-F600 HydrophobicContact CZ-CB 3.62Å; F591-F600 AromaticContact CZ-CD1 3.48Å; F591-F600 HydrophobicContact CZ-CD1 3.48Å; F591-F600 VanDerWaalsContact CZ-CD1 3.48Å; F591-F600 HydrophobicContact CZ-CD2 4.25Å; F591-F600 HydrophobicContact CZ-CE1 4.21Å; F591-F600 AromaticContact CZ-CG 3.49Å; F591-F600 HydrophobicContact CZ-CG 3.49Å; F591-F600 VanDerWaalsContact CZ-CG 3.49Å |
| 592 | T | 81.4 | Confident | 79.8 | Confident | 152 Ų | 152 | 107 Ų | 107 | 93% | 0.933 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -90.3 | -30.7 | 175.2 | -35.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 593 | D | 83.2 | Confident | 80.2 | Confident | 67 Ų | 67 | 103.2 Ų | 103.2 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | trans | -105.6 | 127.8 | -179.6 | -179.7 | 14.5 | 0 | 0 | 0 | 110.5 | E595 Q596 L597 | D593-E595 VanDerWaalsContact C-N 3.34Å; D593-E595 PolarHBondContact OD1-N 3.11Å; D593-Q596 HydrophobicContact CB-CB 4.24Å; D593-Q596 HydrophobicContact CB-CG 4.13Å; D593-Q596 PolarHBondContact O-N 3.42Å; D593-Q596 WeakPolarHBondContact OD2-CG 3.49Å; D593-L597 PolarHBondContact O-N 3.39Å | ||
| 594 | Q | 85.8 | Confident | 80.6 | Confident | 148 Ų | 148 | 100.7 Ų | 100.7 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.7 | -32.1 | -177.1 | -175.5 | 160.9 | -24.6 | 0 | 0 | 111.9 | L597 Q598 | Q594-L597 PolarHBondContact O-N 3.11Å; Q594-Q598 WeakPolarHBondContact O-CG 3.32Å; Q594-Q598 PolarHBondContact O-N 2.81Å; Q594-Q598 VanDerWaalsContact O-N 3.12Å |
| 595 | E | 87.1 | Confident | 81.2 | Confident | 147 Ų | 147 | 103.6 Ų | 103.6 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 177 | -70.1 | -170.4 | 172.9 | 0 | 0 | 111.4 | D593 L597 Q598 L599 | D593-E595 VanDerWaalsContact C-N 3.34Å; D593-E595 PolarHBondContact OD1-N 3.11Å; E595-L597 VanDerWaalsContact C-N 3.34Å; E595-L597 PolarHBondContact O-N 3.13Å; E595-Q598 PolarHBondContact O-N 2.73Å; E595-L599 PolarHBondContact O-N 3.23Å |
| 596 | Q | 83.2 | Confident | 81.9 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 176 | -70.8 | 179.7 | 14.5 | 0 | 0 | 112.7 | F591 D593 Q598 F600 | F591-Q596 HydrophobicContact CD1-CB 4.14Å; D593-Q596 HydrophobicContact CB-CB 4.24Å; D593-Q596 HydrophobicContact CB-CG 4.13Å; D593-Q596 PolarHBondContact O-N 3.42Å; D593-Q596 WeakPolarHBondContact OD2-CG 3.49Å; Q596-Q598 VanDerWaalsContact C-N 3.34Å; Q596-F600 WeakPolarHBondContact O-CB 3.26Å; Q596-F600 PolarHBondContact O-N 3.12Å |
| 597 | L | 81.7 | Confident | 82.8 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.6 | 175.6 | 63.2 | 0 | 0 | 0 | 110.8 | F591 D593 Q594 E595 F600 L601 | F591-L597 HydrophobicContact CB-CB 3.88Å; F591-L597 HydrophobicContact CB-CD1 4.39Å; F591-L597 HydrophobicContact CD1-CB 4.3Å; F591-L597 HydrophobicContact CD2-CB 4.27Å; F591-L597 HydrophobicContact CD2-CD1 3.41Å; F591-L597 VanDerWaalsContact CD2-CD1 3.41Å; F591-L597 HydrophobicContact CD2-CG 4.4Å; F591-L597 HydrophobicContact CE2-CD1 3.79Å; F591-L597 HydrophobicContact CG-CB 3.9Å; F591-L597 HydrophobicContact CG-CD1 3.96Å; D593-L597 PolarHBondContact O-N 3.39Å; Q594-L597 PolarHBondContact O-N 3.11Å; E595-L597 VanDerWaalsContact C-N 3.34Å; E595-L597 PolarHBondContact O-N 3.13Å; L597-F600 PolarHBondContact O-N 2.75Å; L597-L601 HydrophobicContact CD1-CD1 4.06Å; L597-L601 HydrophobicContact CD1-CG 4.06Å; L597-L601 HydrophobicContact CG-CD1 4Å; L597-L601 HydrophobicContact CG-CG 4.38Å; L597-L601 WeakPolarHBondContact O-CB 3.32Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 2.94Å |
| 598 | Q | 86.1 | Confident | 83.8 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -179.8 | -69.1 | -64 | -23.1 | 0 | 0 | 112.3 | Q594 E595 Q596 F600 L601 R602 | Q594-Q598 WeakPolarHBondContact O-CG 3.32Å; Q594-Q598 PolarHBondContact O-N 2.81Å; Q594-Q598 VanDerWaalsContact O-N 3.12Å; E595-Q598 PolarHBondContact O-N 2.73Å; Q596-Q598 VanDerWaalsContact C-N 3.34Å; Q598-F600 PolarHBondContact O-N 3.09Å; Q598-L601 PolarHBondContact O-N 3.36Å; Q598-R602 PolarHBondContact O-N 3.1Å |
| 599 | L | 86 | Confident | 84.9 | Confident | 88 Ų | 88 | 91.1 Ų | 91.1 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.4 | -77.6 | 163.9 | 0 | 0 | 0 | 111.8 | E595 R602 D603 | E595-L599 PolarHBondContact O-N 3.23Å; L599-R602 WeakPolarHBondContact O-CB 3.32Å; L599-R602 PolarHBondContact O-N 3.2Å; L599-D603 PolarHBondContact O-N 3.41Å |
| 600 | F | 86 | Confident | 85.6 | Confident | 30 Ų | 30 | 87 Ų | 87 | 13% | 0.132 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177 | 173.6 | -104.8 | 0 | 0 | 0 | 112.5 | V581 F585 R587 F591 Q596 L597 Q598 R602 D603 L604 | V581-F600 HydrophobicContact CG1-CE1 4.45Å; V581-F600 HydrophobicContact CG1-CZ 3.99Å; V581-F600 HydrophobicContact CG2-CZ 4.28Å; F585-F600 HydrophobicContact CB-CE2 4.06Å; F585-F600 HydrophobicContact CB-CZ 4.38Å; F585-F600 AromaticContact CD1-CE2 3.91Å; F585-F600 HydrophobicContact CD1-CE2 3.91Å; F585-F600 AromaticContact CG-CE2 3.97Å; F585-F600 HydrophobicContact CG-CE2 3.97Å; F585-F600 HydrophobicContact CG-CZ 4.42Å; R587-F600 HydrophobicContact CG-CE2 4.22Å; R587-F600 HydrophobicContact CG-CZ 4.38Å; F591-F600 HydrophobicContact CE1-CB 3.94Å; F591-F600 HydrophobicContact CE1-CG 4.28Å; F591-F600 AromaticContact CE2-CD1 3.73Å; F591-F600 HydrophobicContact CE2-CD1 3.73Å; F591-F600 HydrophobicContact CE2-CE1 4.27Å; F591-F600 HydrophobicContact CE2-CG 4.23Å; F591-F600 HydrophobicContact CZ-CB 3.62Å; F591-F600 AromaticContact CZ-CD1 3.48Å; F591-F600 HydrophobicContact CZ-CD1 3.48Å; F591-F600 VanDerWaalsContact CZ-CD1 3.48Å; F591-F600 HydrophobicContact CZ-CD2 4.25Å; F591-F600 HydrophobicContact CZ-CE1 4.21Å; F591-F600 AromaticContact CZ-CG 3.49Å; F591-F600 HydrophobicContact CZ-CG 3.49Å; F591-F600 VanDerWaalsContact CZ-CG 3.49Å; Q596-F600 WeakPolarHBondContact O-CB 3.26Å; Q596-F600 PolarHBondContact O-N 3.12Å; L597-F600 PolarHBondContact O-N 2.75Å; Q598-F600 PolarHBondContact O-N 3.09Å; F600-R602 VanDerWaalsContact C-N 3.27Å; F600-R602 PolarHBondContact O-N 2.69Å; F600-D603 PolarHBondContact O-N 3.3Å; F600-L604 HydrophobicContact CE1-CB 4.49Å; F600-L604 HydrophobicContact CE1-CD2 4Å; F600-L604 HydrophobicContact CZ-CB 4.37Å; F600-L604 HydrophobicContact CZ-CD2 4.17Å; F600-L604 VanDerWaalsContact O-CB 3.26Å; F600-L604 WeakPolarHBondContact O-CB 3.46Å; F600-L604 PolarHBondContact O-N 2.62Å |
| 601 | L | 86.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 82.5 Ų | 82.5 | 40% | 0.403 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.5 | -72.5 | 175.7 | 0 | 0 | 0 | 111.5 | L597 Q598 F605 | L597-L601 HydrophobicContact CD1-CD1 4.06Å; L597-L601 HydrophobicContact CD1-CG 4.06Å; L597-L601 HydrophobicContact CG-CD1 4Å; L597-L601 HydrophobicContact CG-CG 4.38Å; L597-L601 WeakPolarHBondContact O-CB 3.32Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 2.94Å; Q598-L601 PolarHBondContact O-N 3.36Å; L601-F605 VanDerWaalsContact O-CB 3.25Å; L601-F605 WeakPolarHBondContact O-CB 3.48Å; L601-F605 PolarHBondContact O-N 2.82Å |
| 602 | R | 85.2 | Confident | 87 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.3 | -52 | 173.6 | -175.5 | -164.6 | 70.2 | -179.7 | -0 | 111.4 | Q598 L599 F600 L604 F605 V606 | Q598-R602 PolarHBondContact O-N 3.1Å; L599-R602 WeakPolarHBondContact O-CB 3.32Å; L599-R602 PolarHBondContact O-N 3.2Å; F600-R602 VanDerWaalsContact C-N 3.27Å; F600-R602 PolarHBondContact O-N 2.69Å; R602-L604 PolarHBondContact O-N 3.19Å; R602-F605 PolarHBondContact O-N 3.33Å; R602-V606 WeakPolarHBondContact O-CG2 3.48Å; R602-V606 PolarHBondContact O-N 3.05Å |
| 603 | D | 87.3 | Confident | 87.2 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.7 | -37.8 | -176.6 | -64.8 | -5.8 | 0 | 0 | 0 | 111.6 | L599 F600 Y607 | L599-D603 PolarHBondContact O-N 3.41Å; F600-D603 PolarHBondContact O-N 3.3Å; D603-Y607 WeakPolarHBondContact O-CB 3.27Å; D603-Y607 PolarHBondContact O-N 3.14Å |
| 604 | L | 89.1 | Confident | 87.4 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.5 | 178 | 62.9 | 0 | 0 | 0 | 111.3 | V577 V581 F585 F600 R602 Y607 L608 | V577-L604 HydrophobicContact CG1-CD2 4.34Å; V581-L604 HydrophobicContact CG2-CD1 3.84Å; V581-L604 HydrophobicContact CG2-CD2 3.66Å; V581-L604 HydrophobicContact CG2-CG 4.43Å; F585-L604 HydrophobicContact CD2-CD1 4.17Å; F585-L604 HydrophobicContact CE2-CD1 3.68Å; F585-L604 HydrophobicContact CZ-CD1 4.32Å; F600-L604 HydrophobicContact CE1-CB 4.49Å; F600-L604 HydrophobicContact CE1-CD2 4Å; F600-L604 HydrophobicContact CZ-CB 4.37Å; F600-L604 HydrophobicContact CZ-CD2 4.17Å; F600-L604 VanDerWaalsContact O-CB 3.26Å; F600-L604 WeakPolarHBondContact O-CB 3.46Å; F600-L604 PolarHBondContact O-N 2.62Å; R602-L604 PolarHBondContact O-N 3.19Å; L604-Y607 PolarHBondContact O-N 2.94Å; L604-L608 HydrophobicContact CD1-CD1 3.9Å; L604-L608 HydrophobicContact CD1-CD2 4.43Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CD2-CD1 4.46Å; L604-L608 HydrophobicContact CG-CD1 3.82Å; L604-L608 HydrophobicContact CG-CG 4.27Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.38Å; L604-L608 PolarHBondContact O-N 2.88Å |
| 605 | F | 90.3 | Very high | 87.3 | Confident | 142 Ų | 142 | 73.7 Ų | 73.7 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.3 | -49 | 178.8 | 178.7 | -97 | 0 | 0 | 0 | 111.7 | L601 R602 Y607 L608 V609 | L601-F605 VanDerWaalsContact O-CB 3.25Å; L601-F605 WeakPolarHBondContact O-CB 3.48Å; L601-F605 PolarHBondContact O-N 2.82Å; R602-F605 PolarHBondContact O-N 3.33Å; F605-Y607 VanDerWaalsContact C-N 3.31Å; F605-Y607 PolarHBondContact O-N 3.26Å; F605-L608 PolarHBondContact O-N 3.36Å; F605-V609 HydrophobicContact CD1-CG2 4.26Å; F605-V609 HydrophobicContact CD2-CG2 4.45Å; F605-V609 HydrophobicContact CE1-CG2 3.89Å; F605-V609 HydrophobicContact CE2-CG2 4.09Å; F605-V609 HydrophobicContact CZ-CG2 3.79Å; F605-V609 VanDerWaalsContact O-CG2 3.28Å; F605-V609 WeakPolarHBondContact O-CG2 3.22Å; F605-V609 PolarHBondContact O-N 2.92Å |
| 606 | V | 91.9 | Very high | 87.2 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.2 | -49.1 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | R602 L608 V609 D610 | R602-V606 WeakPolarHBondContact O-CG2 3.48Å; R602-V606 PolarHBondContact O-N 3.05Å; V606-L608 PolarHBondContact O-N 3.32Å; V606-V609 PolarHBondContact O-N 3.28Å; V606-D610 PolarHBondContact O-N 2.83Å |
| 607 | Y | 89.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 179.8 | 173.8 | -98.5 | 0 | 0 | 0 | 113.5 | V511 I580 K584 F585 D603 L604 F605 V609 D610 E611 | V511-Y607 WeakPolarHBondContact CG2-OH 3.27Å; I580-Y607 HydrophobicContact CG2-CD1 4.41Å; I580-Y607 HydrophobicContact CG2-CE1 3.8Å; K584-Y607 HydrophobicContact CD-CE1 4.23Å; K584-Y607 HydrophobicContact CD-CE2 4.3Å; K584-Y607 VanDerWaalsContact CD-OH 3.31Å; K584-Y607 WeakPolarHBondContact CD-OH 3.46Å; K584-Y607 WeakPolarHBondContact CE-OH 3.49Å; K584-Y607 PolarHBondContact NZ-OH 3.39Å; F585-Y607 AromaticContact CE2-CD1 3.86Å; F585-Y607 HydrophobicContact CE2-CD1 3.86Å; F585-Y607 HydrophobicContact CE2-CE1 4.27Å; F585-Y607 HydrophobicContact CE2-CG 4.35Å; F585-Y607 HydrophobicContact CZ-CD1 4.03Å; F585-Y607 HydrophobicContact CZ-CG 4.05Å; D603-Y607 WeakPolarHBondContact O-CB 3.27Å; D603-Y607 PolarHBondContact O-N 3.14Å; L604-Y607 PolarHBondContact O-N 2.94Å; F605-Y607 VanDerWaalsContact C-N 3.31Å; F605-Y607 PolarHBondContact O-N 3.26Å; Y607-V609 VanDerWaalsContact C-N 3.31Å; Y607-V609 PolarHBondContact O-N 2.91Å; Y607-D610 PolarHBondContact O-N 2.66Å; Y607-E611 HydrophobicContact CD1-CG 4.39Å; Y607-E611 HydrophobicContact CD2-CG 4.31Å; Y607-E611 HydrophobicContact CE1-CG 3.74Å; Y607-E611 HydrophobicContact CE2-CG 3.64Å; Y607-E611 WeakPolarHBondContact O-CG 3.49Å; Y607-E611 PolarHBondContact O-N 3.19Å; Y607-E611 WeakPolarHBondContact OH-CG 3.08Å; Y607-E611 PolarHBondContact OH-OE1 3.22Å |
| 608 | L | 90.7 | Very high | 87.2 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 179.7 | -71.9 | 174.1 | 0 | 0 | 0 | 111.7 | Y514 V577 I580 L604 F605 V606 M612 | Y514-L608 HydrophobicContact CE1-CD2 3.98Å; Y514-L608 HydrophobicContact CE2-CD2 3.99Å; Y514-L608 PolarHBondContact OH-O 3.38Å; V577-L608 HydrophobicContact CB-CD1 4.37Å; V577-L608 HydrophobicContact CG1-CD1 3.72Å; V577-L608 HydrophobicContact CG2-CD1 3.68Å; V577-L608 HydrophobicContact CG2-CD2 3.94Å; V577-L608 HydrophobicContact CG2-CG 4.47Å; I580-L608 HydrophobicContact CD1-CD2 3.99Å; L604-L608 HydrophobicContact CD1-CD1 3.9Å; L604-L608 HydrophobicContact CD1-CD2 4.43Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CD2-CD1 4.46Å; L604-L608 HydrophobicContact CG-CD1 3.82Å; L604-L608 HydrophobicContact CG-CG 4.27Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.38Å; L604-L608 PolarHBondContact O-N 2.88Å; F605-L608 PolarHBondContact O-N 3.36Å; V606-L608 PolarHBondContact O-N 3.32Å; L608-M612 WeakPolarHBondContact O-CB 3.38Å; L608-M612 PolarHBondContact O-N 3.21Å |
| 609 | V | 90.2 | Very high | 86.9 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | F605 V606 Y607 M612 H613 | F605-V609 HydrophobicContact CD1-CG2 4.26Å; F605-V609 HydrophobicContact CD2-CG2 4.45Å; F605-V609 HydrophobicContact CE1-CG2 3.89Å; F605-V609 HydrophobicContact CE2-CG2 4.09Å; F605-V609 HydrophobicContact CZ-CG2 3.79Å; F605-V609 VanDerWaalsContact O-CG2 3.28Å; F605-V609 WeakPolarHBondContact O-CG2 3.22Å; F605-V609 PolarHBondContact O-N 2.92Å; V606-V609 PolarHBondContact O-N 3.28Å; Y607-V609 VanDerWaalsContact C-N 3.31Å; Y607-V609 PolarHBondContact O-N 2.91Å; V609-M612 WeakPolarHBondContact O-CB 3.44Å; V609-M612 PolarHBondContact O-N 3.01Å; V609-M612 VanDerWaalsContact O-N 3.16Å; V609-H613 WeakPolarHBondContact CG1-NE2 3.36Å; V609-H613 PolarHBondContact O-CD2 3.39Å; V609-H613 PolarHBondContact O-N 3.29Å |
| 610 | D | 88.5 | Confident | 86.3 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.8 | -71.3 | -21.5 | 0 | 0 | 0 | 112 | V606 Y607 M612 H613 I614 | V606-D610 PolarHBondContact O-N 2.83Å; Y607-D610 PolarHBondContact O-N 2.66Å; D610-M612 PolarHBondContact O-N 3.09Å; D610-H613 PolarHBondContact O-N 3.38Å; D610-I614 WeakPolarHBondContact O-CG1 3.49Å; D610-I614 PolarHBondContact O-N 3.05Å |
| 611 | E | 88.1 | Confident | 85.2 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.9 | -31 | 175.5 | -72.5 | -61.4 | 159.5 | 0 | 0 | 112.3 | V511 Y514 H515 Y607 I614 G615 | V511-E611 VanDerWaalsContact CG1-OE2 3.29Å; V511-E611 WeakPolarHBondContact CG1-OE2 3.37Å; Y514-E611 HydrophobicContact CD1-CB 4.07Å; Y514-E611 HydrophobicContact CE1-CB 3.89Å; H515-E611 PolarHBondContact CD2-O 2.82Å; H515-E611 IonicContact CD2-OE2 2.68Å; H515-E611 IonicContact CE1-OE2 3.27Å; H515-E611 PolarHBondContact CE1-OE2 2.94Å; H515-E611 VanDerWaalsContact CE1-OE2 3.26Å; H515-E611 PolarHBondContact NE2-O 3.1Å; H515-E611 IonicContact NE2-OE2 2.62Å; H515-E611 PolarHBondContact NE2-OE2 3.26Å; Y607-E611 HydrophobicContact CD1-CG 4.39Å; Y607-E611 HydrophobicContact CD2-CG 4.31Å; Y607-E611 HydrophobicContact CE1-CG 3.74Å; Y607-E611 HydrophobicContact CE2-CG 3.64Å; Y607-E611 WeakPolarHBondContact O-CG 3.49Å; Y607-E611 PolarHBondContact O-N 3.19Å; Y607-E611 WeakPolarHBondContact OH-CG 3.08Å; Y607-E611 PolarHBondContact OH-OE1 3.22Å; E611-I614 PolarHBondContact O-N 3.34Å; E611-G615 PolarHBondContact O-N 2.88Å |
| 612 | M | 89.1 | Confident | 83.6 | Confident | 60 Ų | 60 | 77 Ų | 77 | 30% | 0.296 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 173.7 | 177.3 | -165.7 | 75.7 | 0 | 0 | 111.5 | I518 L608 V609 D610 I614 G615 L616 | I518-M612 VanDerWaalsContact CD1-CA 3.47Å; I518-M612 HydrophobicContact CD1-CB 3.56Å; I518-M612 HydrophobicContact CD1-CG 3.71Å; I518-M612 HydrophobicContact CG1-CG 4.45Å; I518-M612 HydrophobicContact CG2-CG 4.21Å; L608-M612 WeakPolarHBondContact O-CB 3.38Å; L608-M612 PolarHBondContact O-N 3.21Å; V609-M612 WeakPolarHBondContact O-CB 3.44Å; V609-M612 PolarHBondContact O-N 3.01Å; V609-M612 VanDerWaalsContact O-N 3.16Å; D610-M612 PolarHBondContact O-N 3.09Å; M612-I614 VanDerWaalsContact C-N 3.29Å; M612-I614 PolarHBondContact O-N 2.71Å; M612-G615 PolarHBondContact O-N 3.06Å; M612-L616 HydrophobicContact CE-CD1 4.27Å; M612-L616 HydrophobicContact CG-CD1 3.82Å; M612-L616 HydrophobicContact CG-CG 4.14Å; M612-L616 WeakPolarHBondContact O-CB 3.32Å; M612-L616 VanDerWaalsContact O-CG 3.29Å; M612-L616 WeakPolarHBondContact O-CG 3.45Å; M612-L616 PolarHBondContact O-N 3.13Å; M612-L616 HydrophobicContact SD-CD1 4.32Å |
| 613 | H | 86.8 | Confident | 81.8 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 174.4 | -71.5 | -56.2 | 0 | 0 | 0 | 111.7 | V609 D610 K617 | V609-H613 WeakPolarHBondContact CG1-NE2 3.36Å; V609-H613 PolarHBondContact O-CD2 3.39Å; V609-H613 PolarHBondContact O-N 3.29Å; D610-H613 PolarHBondContact O-N 3.38Å; H613-K617 VanDerWaalsContact O-CB 3.23Å; H613-K617 WeakPolarHBondContact O-CB 3.46Å; H613-K617 PolarHBondContact O-N 2.89Å |
| 614 | I | 86.5 | Confident | 79.8 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 173.9 | -64.3 | 167 | 0 | 0 | 0 | 110.8 | D610 E611 M612 K617 K618 | D610-I614 WeakPolarHBondContact O-CG1 3.49Å; D610-I614 PolarHBondContact O-N 3.05Å; E611-I614 PolarHBondContact O-N 3.34Å; M612-I614 VanDerWaalsContact C-N 3.29Å; M612-I614 PolarHBondContact O-N 2.71Å; I614-K617 PolarHBondContact O-N 3.37Å; I614-K618 WeakPolarHBondContact O-CG 3.25Å; I614-K618 PolarHBondContact O-N 2.96Å |
| 615 | G | 84 | Confident | 77.5 | Confident | 2 Ų | 2 | 93.5 Ų | 93.5 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E611 M612 K617 K618 V619 | E611-G615 PolarHBondContact O-N 2.88Å; M612-G615 PolarHBondContact O-N 3.06Å; G615-K617 PolarHBondContact O-N 3.34Å; G615-K618 WeakPolarHBondContact O-CB 3.3Å; G615-K618 PolarHBondContact O-N 3.33Å; G615-K618 VanDerWaalsContact O-N 3.15Å; G615-V619 WeakPolarHBondContact O-CG2 3.21Å; G615-V619 PolarHBondContact O-N 3.42Å |
| 616 | L | 84.6 | Confident | 75.3 | Confident | 42 Ų | 42 | 92.2 Ų | 92.2 | 22% | 0.22 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 178.8 | -68.2 | 174.3 | 0 | 0 | 0 | 111.9 | I518 A522 M612 K618 V619 F620 | I518-L616 HydrophobicContact CG2-CD2 3.55Å; I518-L616 HydrophobicContact CG2-CG 3.78Å; A522-L616 HydrophobicContact CB-CD2 3.69Å; M612-L616 HydrophobicContact CE-CD1 4.27Å; M612-L616 HydrophobicContact CG-CD1 3.82Å; M612-L616 HydrophobicContact CG-CG 4.14Å; M612-L616 WeakPolarHBondContact O-CB 3.32Å; M612-L616 VanDerWaalsContact O-CG 3.29Å; M612-L616 WeakPolarHBondContact O-CG 3.45Å; M612-L616 PolarHBondContact O-N 3.13Å; M612-L616 HydrophobicContact SD-CD1 4.32Å; L616-K618 PolarHBondContact O-N 3.2Å; L616-V619 WeakPolarHBondContact O-CB 3.28Å; L616-V619 PolarHBondContact O-N 2.88Å; L616-F620 HydrophobicContact CB-CD2 4.24Å; L616-F620 HydrophobicContact CB-CE2 4.34Å; L616-F620 HydrophobicContact CD2-CE2 4.03Å; L616-F620 VanDerWaalsContact O-CD2 3.25Å; L616-F620 WeakPolarHBondContact O-CD2 3.46Å; L616-F620 PolarHBondContact O-N 3.1Å |
| 617 | K | 83.6 | Confident | 72.7 | Confident | 150 Ų | 150 | 96 Ų | 96 | 65% | 0.652 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.2 | -40.7 | 173.5 | -176.8 | 175.1 | -180 | 176.5 | 0 | 111 | H613 I614 G615 V619 C621 | H613-K617 VanDerWaalsContact O-CB 3.23Å; H613-K617 WeakPolarHBondContact O-CB 3.46Å; H613-K617 PolarHBondContact O-N 2.89Å; I614-K617 PolarHBondContact O-N 3.37Å; G615-K617 PolarHBondContact O-N 3.34Å; K617-V619 VanDerWaalsContact C-N 3.29Å; K617-V619 PolarHBondContact O-N 3.4Å; K617-C621 VanDerWaalsContact O-CB 3.23Å; K617-C621 WeakPolarHBondContact O-CB 3.36Å; K617-C621 PolarHBondContact O-N 3.43Å; K617-C621 PolarHBondContact O-SG 2.96Å |
| 618 | K | 81.9 | Confident | 70.5 | Confident | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -31.7 | 175.6 | -67.3 | 171.5 | -177.7 | 173.8 | 0 | 113.1 | H515 I614 G615 L616 | H515-K618 PolarHBondContact ND1-NZ 2.96Å; I614-K618 WeakPolarHBondContact O-CG 3.25Å; I614-K618 PolarHBondContact O-N 2.96Å; G615-K618 WeakPolarHBondContact O-CB 3.3Å; G615-K618 PolarHBondContact O-N 3.33Å; G615-K618 VanDerWaalsContact O-N 3.15Å; L616-K618 PolarHBondContact O-N 3.2Å |
| 619 | V | 78.7 | Confident | 68.1 | Low | 44 Ų | 44 | 103 Ų | 103 | 27% | 0.267 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.3 | -44.9 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | A519 G615 L616 K617 | A519-V619 HydrophobicContact CB-CG2 3.42Å; A519-V619 VanDerWaalsContact CB-CG2 3.42Å; G615-V619 WeakPolarHBondContact O-CG2 3.21Å; G615-V619 PolarHBondContact O-N 3.42Å; L616-V619 WeakPolarHBondContact O-CB 3.28Å; L616-V619 PolarHBondContact O-N 2.88Å; K617-V619 VanDerWaalsContact C-N 3.29Å; K617-V619 PolarHBondContact O-N 3.4Å |
| 620 | F | 73.6 | Confident | 65.9 | Low | 119 Ų | 119 | 106.2 Ų | 106.2 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -94.5 | -4.4 | -173.9 | -64 | -66.1 | 0 | 0 | 0 | 114.6 | L616 T622 | L616-F620 HydrophobicContact CB-CD2 4.24Å; L616-F620 HydrophobicContact CB-CE2 4.34Å; L616-F620 HydrophobicContact CD2-CE2 4.03Å; L616-F620 VanDerWaalsContact O-CD2 3.25Å; L616-F620 WeakPolarHBondContact O-CD2 3.46Å; L616-F620 PolarHBondContact O-N 3.1Å; F620-T622 PolarHBondContact O-N 3.14Å |
| 621 | C | 63.1 | Low | 64 | Low | 77 Ų | 77 | 105.5 Ų | 105.5 | 52% | 0.52 | 53% | 0.525 | S | S | . | . | trans | -63.3 | 90.2 | 166.1 | -85.9 | 0 | 0 | 0 | 0 | 108.8 | K617 R623 | K617-C621 VanDerWaalsContact O-CB 3.23Å; K617-C621 WeakPolarHBondContact O-CB 3.36Å; K617-C621 PolarHBondContact O-N 3.43Å; K617-C621 PolarHBondContact O-SG 2.96Å; C621-R623 PolarHBondContact O-N 3.16Å | ||
| 622 | T | 52.7 | Low | 62.3 | Low | 129 Ų | 129 | 110.5 Ų | 110.5 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | trans | -43.2 | 119 | 161.8 | 46.4 | 0 | 0 | 0 | 0 | 108.2 | F620 D624 | F620-T622 PolarHBondContact O-N 3.14Å; T622-D624 PolarHBondContact O-N 3.38Å | ||
| 623 | R | 47.3 | Very low | 60.6 | Low | 239 Ų | 239 | 115.2 Ų | 115.2 | 90% | 0.902 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -50.8 | 113.2 | 177.5 | -71.9 | 173.5 | 167.6 | 169.4 | -4.4 | 109.8 | C621 | C621-R623 PolarHBondContact O-N 3.16Š|
| 624 | D | 45.5 | Very low | 59.5 | Low | 141 Ų | 141 | 111.7 Ų | 111.7 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | trans | -160.6 | 31.7 | 157.9 | -94.5 | -20.9 | 0 | 0 | 0 | 112.5 | T622 T626 | T622-D624 PolarHBondContact O-N 3.38Å; D624-T626 PolarHBondContact O-N 3.34Å | ||
| 625 | F | 40.6 | Very low | 59.1 | Low | 209 Ų | 209 | 112.2 Ų | 112.2 | 92% | 0.917 | 57% | 0.569 | S | S | * | * | trans | -71.4 | 91.8 | 139.4 | -67.1 | -70.7 | 0 | 0 | 0 | 104.2 | K627 | F625-K627 PolarHBondContact O-N 3.18Š| ||
| 626 | T | 44.1 | Very low | 58.9 | Low | 116 Ų | 116 | 113.9 Ų | 113.9 | 71% | 0.712 | 58% | 0.58 | S | S | * | * | trans | -47.1 | 99.3 | 147.5 | 42.8 | 0 | 0 | 0 | 0 | 104 | D624 I628 | D624-T626 PolarHBondContact O-N 3.34Å; T626-I628 VanDerWaalsContact C-N 3.31Å; T626-I628 PolarHBondContact O-N 2.97Å | ||
| 627 | K | 36.7 | Very low | 59 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | trans | -49.6 | 114.1 | 164.1 | -104.6 | -169.9 | 166.8 | -155.1 | 0 | 102.1 | F625 P629 E630 | F625-K627 PolarHBondContact O-N 3.18Å; K627-P629 WeakPolarHBondContact O-CD 3.46Å; K627-E630 IonicContact NZ-OE1 2.71Å; K627-E630 PolarHBondContact NZ-OE1 3.19Å | ||
| 628 | I | 45.1 | Very low | 59 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | trans | -41.6 | 118.3 | 167.6 | -62.4 | 159 | 0 | 0 | 0 | 103.4 | T626 E630 | T626-I628 VanDerWaalsContact C-N 3.31Å; T626-I628 PolarHBondContact O-N 2.97Å; I628-E630 PolarHBondContact O-N 3.33Å | ||
| 629 | P | 38.7 | Very low | 59.3 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | trans | -49.3 | 114.3 | -176.7 | 14.9 | -26.8 | 0 | 0 | 0 | 105.6 | K627 P631 | K627-P629 WeakPolarHBondContact O-CD 3.46Å; P629-P631 VanDerWaalsContact O-CD 3.29Å; P629-P631 WeakPolarHBondContact O-CD 3.48Å | ||
| 630 | E | 44.5 | Very low | 59.9 | Low | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | trans | -54.6 | 115.2 | -177 | -74.7 | 176 | -157.4 | 0 | 0 | 104.3 | K627 I628 N632 R665 | K627-E630 IonicContact NZ-OE1 2.71Å; K627-E630 PolarHBondContact NZ-OE1 3.19Å; I628-E630 PolarHBondContact O-N 3.33Å; E630-N632 PolarHBondContact O-N 2.92Å; E630-R665 IonicContact OE2-NH1 3.67Å | ||
| 631 | P | 48.7 | Very low | 60.5 | Low | 73 Ų | 73 | 102.1 Ų | 102.1 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | trans | -52.6 | 122.7 | -167.6 | 14.3 | -27.7 | 0 | 0 | 0 | 107.9 | P629 L633 | P629-P631 VanDerWaalsContact O-CD 3.29Å; P629-P631 WeakPolarHBondContact O-CD 3.48Å; P631-L633 PolarHBondContact O-N 3.36Å | ||
| 632 | N | 52 | Low | 61.7 | Low | 134 Ų | 134 | 99.5 Ų | 99.5 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 116.3 | -174.9 | -97.2 | -22.4 | 0 | 0 | 0 | 109 | E630 S634 | E630-N632 PolarHBondContact O-N 2.92Å; N632-S634 VanDerWaalsContact C-N 3.34Å; N632-S634 PolarHBondContact O-N 3.17Å |
| 633 | L | 54.2 | Low | 63.4 | Low | 158 Ų | 158 | 93.3 Ų | 93.3 | 83% | 0.827 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.1 | 58.3 | 159.7 | -147.9 | 79.7 | 0 | 0 | 0 | 115.4 | P631 D635 | P631-L633 PolarHBondContact O-N 3.36Å; L633-D635 PolarHBondContact O-N 2.95Å; L633-D635 VanDerWaalsContact O-N 3.16Å |
| 634 | S | 63.7 | Low | 65.4 | Low | 34 Ų | 34 | 88.3 Ų | 88.3 | 24% | 0.238 | 45% | 0.449 | C | S | . | . | trans | -63.1 | 118.4 | 158.5 | -165.5 | 0 | 0 | 0 | 0 | 106.7 | N632 T638 | N632-S634 VanDerWaalsContact C-N 3.34Å; N632-S634 PolarHBondContact O-N 3.17Å; S634-T638 WeakPolarHBondContact OG-CB 3.43Å; S634-T638 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 635 | D | 77.1 | Confident | 67.4 | Low | 89 Ų | 89 | 82.4 Ų | 82.4 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | trans | -56.5 | 143.6 | 179.8 | -179.7 | 69.6 | 0 | 0 | 0 | 110.3 | L633 E637 T638 L639 | L633-D635 PolarHBondContact O-N 2.95Å; L633-D635 VanDerWaalsContact O-N 3.16Å; D635-E637 PolarHBondContact O-N 2.86Å; D635-E637 WeakPolarHBondContact OD2-CB 3.42Å; D635-E637 PolarHBondContact OD2-N 3.3Å; D635-E637 VanDerWaalsContact OD2-N 3.13Å; D635-T638 WeakPolarHBondContact O-CA 3.18Å; D635-T638 WeakPolarHBondContact O-CB 3.39Å; D635-T638 PolarHBondContact O-N 3.34Å; D635-L639 PolarHBondContact O-N 3.07Å; D635-L639 VanDerWaalsContact O-N 3.15Å | ||
| 636 | P | 81.3 | Confident | 69.6 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 24% | 0.24 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -52.9 | -29.7 | -179.3 | -29.3 | 37.3 | 0 | 0 | 0 | 114.4 | L640 R662 | P636-L640 PolarHBondContact O-N 2.95Å; P636-R662 HydrophobicContact CB-CG 4.26Å; P636-R662 WeakPolarHBondContact O-CD 3.13Å; P636-R662 PolarHBondContact O-NE 3.36Å |
| 637 | E | 85.2 | Confident | 71.7 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 36% | 0.36 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 175.4 | -176.2 | 53.2 | -151.2 | 0 | 0 | 112 | D635 L639 L640 R641 | D635-E637 PolarHBondContact O-N 2.86Å; D635-E637 WeakPolarHBondContact OD2-CB 3.42Å; D635-E637 PolarHBondContact OD2-N 3.3Å; D635-E637 VanDerWaalsContact OD2-N 3.13Å; E637-L639 VanDerWaalsContact C-N 3.33Å; E637-L639 PolarHBondContact O-N 3.39Å; E637-L640 WeakPolarHBondContact O-CB 3.22Å; E637-L640 PolarHBondContact O-N 3.5Å; E637-R641 WeakPolarHBondContact O-CG 3.35Å; E637-R641 PolarHBondContact O-N 3.22Å; E637-R641 VanDerWaalsContact O-N 3.08Å; E637-R641 IonicContact OE1-NE 3.76Å |
| 638 | T | 85.1 | Confident | 73.8 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.1 | -56 | 0 | 0 | 0 | 0 | 110.9 | S634 D635 L640 R641 Y642 | S634-T638 WeakPolarHBondContact OG-CB 3.43Å; S634-T638 WeakPolarHBondContact OG-CG2 3.31Å; D635-T638 WeakPolarHBondContact O-CA 3.18Å; D635-T638 WeakPolarHBondContact O-CB 3.39Å; D635-T638 PolarHBondContact O-N 3.34Å; T638-L640 VanDerWaalsContact C-N 3.35Å; T638-L640 PolarHBondContact O-N 2.95Å; T638-R641 WeakPolarHBondContact O-CB 3.3Å; T638-R641 PolarHBondContact O-N 3.18Å; T638-Y642 HydrophobicContact CG2-CD1 4.5Å; T638-Y642 HydrophobicContact CG2-CD2 4.45Å; T638-Y642 HydrophobicContact CG2-CE1 3.76Å; T638-Y642 HydrophobicContact CG2-CE2 3.74Å; T638-Y642 WeakPolarHBondContact CG2-OH 3.34Å; T638-Y642 PolarHBondContact O-N 3.1Å |
| 639 | L | 87.9 | Confident | 75.6 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 174.4 | -72.2 | 168.9 | 0 | 0 | 0 | 112.7 | D635 E637 R641 Y642 A643 Y658 R662 R665 | D635-L639 PolarHBondContact O-N 3.07Å; D635-L639 VanDerWaalsContact O-N 3.15Å; E637-L639 VanDerWaalsContact C-N 3.33Å; E637-L639 PolarHBondContact O-N 3.39Å; L639-R641 VanDerWaalsContact C-N 3.35Å; L639-Y642 HydrophobicContact CD2-CD2 4.39Å; L639-Y642 PolarHBondContact O-N 3.11Å; L639-A643 PolarHBondContact O-N 3.1Å; L639-Y658 HydrophobicContact CD2-CD1 4.23Å; L639-R662 HydrophobicContact CB-CB 4.05Å; L639-R662 HydrophobicContact CB-CG 4.39Å; L639-R662 HydrophobicContact CD1-CB 4.25Å; L639-R665 HydrophobicContact CD1-CG 4.17Å |
| 640 | L | 90.1 | Very high | 77.7 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.4 | 175.2 | 57.2 | 0 | 0 | 0 | 111.4 | P636 E637 T638 Y642 A643 R644 Y659 D675 | P636-L640 PolarHBondContact O-N 2.95Å; E637-L640 WeakPolarHBondContact O-CB 3.22Å; E637-L640 PolarHBondContact O-N 3.5Å; T638-L640 VanDerWaalsContact C-N 3.35Å; T638-L640 PolarHBondContact O-N 2.95Å; L640-Y642 VanDerWaalsContact C-N 3.34Å; L640-Y642 PolarHBondContact O-N 3.08Å; L640-A643 WeakPolarHBondContact O-CB 3.34Å; L640-A643 PolarHBondContact O-N 3.27Å; L640-R644 HydrophobicContact CD1-CG 4.17Å; L640-R644 WeakPolarHBondContact O-CG 3.37Å; L640-R644 PolarHBondContact O-N 3.03Å; L640-Y659 HydrophobicContact CD1-CE1 3.89Å; L640-D675 HydrophobicContact CD1-CB 4.25Å |
| 641 | R | 86.7 | Confident | 79.6 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.1 | -67 | 171.7 | -178.6 | -132 | 0.5 | 111.7 | E637 T638 L639 A643 R644 E645 S1103 | E637-R641 WeakPolarHBondContact O-CG 3.35Å; E637-R641 PolarHBondContact O-N 3.22Å; E637-R641 VanDerWaalsContact O-N 3.08Å; E637-R641 IonicContact OE1-NE 3.76Å; T638-R641 WeakPolarHBondContact O-CB 3.3Å; T638-R641 PolarHBondContact O-N 3.18Å; L639-R641 VanDerWaalsContact C-N 3.35Å; R641-A643 VanDerWaalsContact C-N 3.32Å; R641-A643 PolarHBondContact O-N 3.37Å; R641-R644 PolarHBondContact O-N 3.1Å; R641-E645 WeakPolarHBondContact O-CB 3.39Å; R641-E645 PolarHBondContact O-N 3.4Å; R641-S1103 PolarHBondContact NH1-OG 3.08Å |
| 642 | Y | 87.8 | Confident | 81.4 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 174.8 | -61.7 | -17 | 0 | 0 | 0 | 112.4 | T638 L639 L640 A646 Y658 T1105 I1135 | T638-Y642 HydrophobicContact CG2-CD1 4.5Å; T638-Y642 HydrophobicContact CG2-CD2 4.45Å; T638-Y642 HydrophobicContact CG2-CE1 3.76Å; T638-Y642 HydrophobicContact CG2-CE2 3.74Å; T638-Y642 WeakPolarHBondContact CG2-OH 3.34Å; T638-Y642 PolarHBondContact O-N 3.1Å; L639-Y642 HydrophobicContact CD2-CD2 4.39Å; L639-Y642 PolarHBondContact O-N 3.11Å; L640-Y642 VanDerWaalsContact C-N 3.34Å; L640-Y642 PolarHBondContact O-N 3.08Å; Y642-A646 WeakPolarHBondContact O-CB 3.37Å; Y642-A646 PolarHBondContact O-N 3Å; Y642-Y658 HydrophobicContact CD2-CD1 4.41Å; Y642-Y658 HydrophobicContact CD2-CE1 4.11Å; Y642-Y658 HydrophobicContact CG-CE1 4.5Å; Y642-T1105 HydrophobicContact CD1-CG2 3.85Å; Y642-T1105 HydrophobicContact CE1-CG2 3.75Å; Y642-I1135 HydrophobicContact CE1-CG2 4.24Å; Y642-I1135 HydrophobicContact CE2-CG2 3.7Å; Y642-I1135 VanDerWaalsContact CZ-CG2 3.47Å; Y642-I1135 VanDerWaalsContact OH-CG2 3.26Å; Y642-I1135 WeakPolarHBondContact OH-CG2 3.4Å |
| 643 | A | 89.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L639 L640 R641 E645 A646 E647 Y659 | L639-A643 PolarHBondContact O-N 3.1Å; L640-A643 WeakPolarHBondContact O-CB 3.34Å; L640-A643 PolarHBondContact O-N 3.27Å; R641-A643 VanDerWaalsContact C-N 3.32Å; R641-A643 PolarHBondContact O-N 3.37Å; A643-E645 VanDerWaalsContact C-N 3.34Å; A643-E645 PolarHBondContact O-N 2.78Å; A643-A646 WeakPolarHBondContact O-CB 3.23Å; A643-A646 PolarHBondContact O-N 3.39Å; A643-A646 VanDerWaalsContact O-N 3.12Å; A643-E647 WeakPolarHBondContact O-CG 3.38Å; A643-E647 PolarHBondContact O-N 2.9Å; A643-Y659 HydrophobicContact CB-CD1 4.33Å; A643-Y659 HydrophobicContact CB-CD2 3.94Å; A643-Y659 HydrophobicContact CB-CE1 4.03Å; A643-Y659 HydrophobicContact CB-CE2 3.63Å; A643-Y659 HydrophobicContact CB-CG 4.26Å |
| 644 | R | 89.4 | Confident | 84.5 | Confident | 133 Ų | 133 | 60 Ų | 60 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.1 | -71.1 | 179.7 | 176.9 | 169.6 | -0.2 | 112.8 | L640 R641 E647 Q648 | L640-R644 HydrophobicContact CD1-CG 4.17Å; L640-R644 WeakPolarHBondContact O-CG 3.37Å; L640-R644 PolarHBondContact O-N 3.03Å; R641-R644 PolarHBondContact O-N 3.1Å; R644-E647 WeakPolarHBondContact O-CB 3.45Å; R644-E647 PolarHBondContact O-N 3.48Å; R644-Q648 WeakPolarHBondContact O-CB 3.39Å; R644-Q648 PolarHBondContact O-N 3.32Å; R644-Q648 VanDerWaalsContact O-N 3.11Å |
| 645 | E | 86.4 | Confident | 85.8 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 173.4 | -177.8 | -179.3 | 110.7 | 0 | 0 | 111.5 | R641 A643 Q648 N649 H1073 L1077 T1105 A1107 | R641-E645 WeakPolarHBondContact O-CB 3.39Å; R641-E645 PolarHBondContact O-N 3.4Å; A643-E645 VanDerWaalsContact C-N 3.34Å; A643-E645 PolarHBondContact O-N 2.78Å; E645-Q648 PolarHBondContact O-N 2.96Å; E645-N649 WeakPolarHBondContact O-CB 3.45Å; E645-N649 PolarHBondContact O-N 3.5Å; E645-N649 PolarHBondContact O-ND2 3.15Å; E645-H1073 IonicContact OE2-CD2 3.66Å; E645-H1073 IonicContact OE2-CE1 2.69Å; E645-H1073 IonicContact OE2-NE2 3.44Å; E645-H1073 PolarHBondContact OE2-NE2 2.93Å; E645-L1077 HydrophobicContact CG-CD1 3.83Å; E645-L1077 WeakPolarHBondContact OE2-CD1 3Å; E645-T1105 VanDerWaalsContact CD-OG1 3.27Å; E645-T1105 PolarHBondContact OE1-OG1 3.48Å; E645-T1105 VanDerWaalsContact OE1-OG1 3.13Å; E645-T1105 WeakPolarHBondContact OE2-CB 3.26Å; E645-T1105 WeakPolarHBondContact OE2-CG2 3.42Å; E645-T1105 PolarHBondContact OE2-OG1 2.61Å; E645-A1107 WeakPolarHBondContact OE1-CB 3.31Å |
| 646 | A | 87.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y642 A643 Q648 N649 Q650 M651 W654 A655 Y658 | Y642-A646 WeakPolarHBondContact O-CB 3.37Å; Y642-A646 PolarHBondContact O-N 3Å; A643-A646 WeakPolarHBondContact O-CB 3.23Å; A643-A646 PolarHBondContact O-N 3.39Å; A643-A646 VanDerWaalsContact O-N 3.12Å; A646-Q648 VanDerWaalsContact C-N 3.34Å; A646-N649 PolarHBondContact O-N 2.62Å; A646-Q650 PolarHBondContact O-N 3.49Å; A646-M651 HydrophobicContact CB-CB 4.44Å; A646-M651 PolarHBondContact O-N 3.34Å; A646-W654 HydrophobicContact CB-CB 4.2Å; A646-A655 HydrophobicContact CB-CB 4Å; A646-Y658 HydrophobicContact CB-CD2 4.16Å; A646-Y658 HydrophobicContact CB-CE2 4.23Å |
| 647 | E | 87.9 | Confident | 86.8 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 20% | 0.201 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 172.1 | -74.6 | 174.1 | -142.1 | 0 | 0 | 111.9 | A643 R644 N649 Q650 A655 Y659 Y679 | A643-E647 WeakPolarHBondContact O-CG 3.38Å; A643-E647 PolarHBondContact O-N 2.9Å; R644-E647 WeakPolarHBondContact O-CB 3.45Å; R644-E647 PolarHBondContact O-N 3.48Å; E647-N649 VanDerWaalsContact C-N 3.35Å; E647-Q650 WeakPolarHBondContact O-CA 3.38Å; E647-Q650 PolarHBondContact O-N 3.34Å; E647-A655 HydrophobicContact CG-CB 3.98Å; E647-Y659 WeakPolarHBondContact OE1-CE2 3.08Å; E647-Y659 PolarHBondContact OE1-OH 2.94Å; E647-Y679 HydrophobicContact CG-CD2 3.47Å; E647-Y679 VanDerWaalsContact CG-CD2 3.47Å; E647-Y679 HydrophobicContact CG-CE2 3.63Å; E647-Y679 WeakPolarHBondContact OE1-CD2 3.39Å |
| 648 | Q | 81 | Confident | 87 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.6 | -35.8 | -176.9 | -173.7 | 67.3 | -45.5 | 0 | 0 | 112.4 | R644 E645 A646 Q650 I1074 R1078 | R644-Q648 WeakPolarHBondContact O-CB 3.39Å; R644-Q648 PolarHBondContact O-N 3.32Å; R644-Q648 VanDerWaalsContact O-N 3.11Å; E645-Q648 PolarHBondContact O-N 2.96Å; A646-Q648 VanDerWaalsContact C-N 3.34Å; Q648-Q650 PolarHBondContact O-N 2.94Å; Q648-I1074 HydrophobicContact CG-CD1 4.18Å; Q648-I1074 HydrophobicContact CG-CG1 4.38Å; Q648-I1074 HydrophobicContact CG-CG2 3.93Å; Q648-R1078 VanDerWaalsContact CD-NH2 3.35Å |
| 649 | N | 81.9 | Confident | 87.5 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 7.2 | 173 | -68.3 | -31.2 | 0 | 0 | 0 | 113.2 | E645 A646 E647 M651 | E645-N649 WeakPolarHBondContact O-CB 3.45Å; E645-N649 PolarHBondContact O-N 3.5Å; E645-N649 PolarHBondContact O-ND2 3.15Å; A646-N649 PolarHBondContact O-N 2.62Å; E647-N649 VanDerWaalsContact C-N 3.35Å; N649-M651 HydrophobicContact CB-CE 3.78Å; N649-M651 HydrophobicContact CB-CG 4.37Å; N649-M651 PolarHBondContact O-N 3.01Å; N649-M651 VanDerWaalsContact O-N 3.15Å |
| 650 | Q | 84.1 | Confident | 87.6 | Confident | 137 Ų | 137 | 58 Ų | 58 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 21 | -179.8 | -52.7 | -179.9 | 15.8 | 0 | 0 | 115.2 | A646 E647 Q648 Y652 | A646-Q650 PolarHBondContact O-N 3.49Å; E647-Q650 WeakPolarHBondContact O-CA 3.38Å; E647-Q650 PolarHBondContact O-N 3.34Å; Q648-Q650 PolarHBondContact O-N 2.94Å; Q650-Y652 VanDerWaalsContact C-CE1 3.44Å; Q650-Y652 HydrophobicContact CB-CE1 3.83Å; Q650-Y652 HydrophobicContact CG-CE1 4.43Å; Q650-Y652 WeakPolarHBondContact O-CD1 3.4Å; Q650-Y652 WeakPolarHBondContact O-CE1 3.42Å; Q650-Y652 PolarHBondContact O-N 3.34Å |
| 651 | M | 84.9 | Confident | 87.5 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | trans | -91.2 | 72.1 | 179.7 | -70.7 | -167.8 | -70.9 | 0 | 0 | 111.3 | A646 N649 D653 W654 A655 | A646-M651 HydrophobicContact CB-CB 4.44Å; A646-M651 PolarHBondContact O-N 3.34Å; N649-M651 HydrophobicContact CB-CE 3.78Å; N649-M651 HydrophobicContact CB-CG 4.37Å; N649-M651 PolarHBondContact O-N 3.01Å; N649-M651 VanDerWaalsContact O-N 3.15Å; M651-D653 PolarHBondContact O-N 3.42Å; M651-W654 HydrophobicContact CB-CB 4.25Å; M651-W654 WeakPolarHBondContact O-CB 3.44Å; M651-W654 PolarHBondContact O-N 3.22Å; M651-W654 VanDerWaalsContact O-N 3.1Å; M651-A655 PolarHBondContact O-N 3.16Å | ||
| 652 | Y | 86.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | -168.8 | -48.8 | -34.7 | 0 | 0 | 0 | 114 | Q650 W654 A655 V656 R683 | Q650-Y652 VanDerWaalsContact C-CE1 3.44Å; Q650-Y652 HydrophobicContact CB-CE1 3.83Å; Q650-Y652 HydrophobicContact CG-CE1 4.43Å; Q650-Y652 WeakPolarHBondContact O-CD1 3.4Å; Q650-Y652 WeakPolarHBondContact O-CE1 3.42Å; Q650-Y652 PolarHBondContact O-N 3.34Å; Y652-W654 PolarHBondContact O-N 2.86Å; Y652-A655 PolarHBondContact O-N 3.32Å; Y652-V656 WeakPolarHBondContact O-CG2 3.29Å; Y652-V656 PolarHBondContact O-N 3.5Å; Y652-R683 VanDerWaalsContact CZ-CZ 3.5Å; Y652-R683 PolarHBondContact OH-NH1 3.28Å; Y652-R683 VanDerWaalsContact OH-NH1 3.12Å |
| 653 | D | 86.7 | Confident | 87.8 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.7 | -31.4 | 176.7 | -67.2 | -38.9 | 0 | 0 | 0 | 112.5 | M651 K657 | M651-D653 PolarHBondContact O-N 3.42Å; D653-K657 VanDerWaalsContact O-CD 3.29Å; D653-K657 WeakPolarHBondContact O-CD 3.41Å; D653-K657 VanDerWaalsContact O-CG 3.24Å; D653-K657 WeakPolarHBondContact O-CG 3.38Å; D653-K657 PolarHBondContact O-N 2.87Å |
| 654 | W | 84.3 | Confident | 87.7 | Confident | 57 Ų | 57 | 61 Ų | 61 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.2 | -43.6 | 176.2 | -73.2 | 107.3 | 0 | 0 | 0 | 111.2 | A646 M651 Y652 V656 K657 Y658 R1138 | A646-W654 HydrophobicContact CB-CB 4.2Å; M651-W654 HydrophobicContact CB-CB 4.25Å; M651-W654 WeakPolarHBondContact O-CB 3.44Å; M651-W654 PolarHBondContact O-N 3.22Å; M651-W654 VanDerWaalsContact O-N 3.1Å; Y652-W654 PolarHBondContact O-N 2.86Å; W654-V656 VanDerWaalsContact C-N 3.34Å; W654-V656 PolarHBondContact O-N 3.4Å; W654-K657 HydrophobicContact CE3-CD 4.18Å; W654-K657 HydrophobicContact CZ3-CD 4.2Å; W654-K657 WeakPolarHBondContact O-CB 3.45Å; W654-K657 PolarHBondContact O-N 3.3Å; W654-K657 VanDerWaalsContact O-N 3.13Å; W654-Y658 HydrophobicContact CB-CD2 4.42Å; W654-Y658 HydrophobicContact CB-CE2 4.06Å; W654-Y658 WeakPolarHBondContact O-CD2 3.47Å; W654-Y658 PolarHBondContact O-N 3Å; W654-R1138 HydrophobicContact CH2-CB 3.24Å; W654-R1138 HydrophobicContact CH2-CG 4.06Å; W654-R1138 HydrophobicContact CZ2-CB 4.04Å; W654-R1138 HydrophobicContact CZ3-CB 3.96Å |
| 655 | A | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.5 | -49.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A646 E647 M651 Y652 K657 Y658 Y659 Y679 | A646-A655 HydrophobicContact CB-CB 4Å; E647-A655 HydrophobicContact CG-CB 3.98Å; M651-A655 PolarHBondContact O-N 3.16Å; Y652-A655 PolarHBondContact O-N 3.32Å; A655-K657 VanDerWaalsContact C-N 3.33Å; A655-K657 PolarHBondContact O-N 3.5Å; A655-Y658 PolarHBondContact O-N 3.32Å; A655-Y659 WeakPolarHBondContact O-CD2 3.15Å; A655-Y659 PolarHBondContact O-N 2.97Å; A655-Y679 HydrophobicContact CB-CE2 3.91Å |
| 656 | V | 92.7 | Very high | 87.5 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | Y652 W654 Y659 Q660 F676 Y679 | Y652-V656 WeakPolarHBondContact O-CG2 3.29Å; Y652-V656 PolarHBondContact O-N 3.5Å; W654-V656 VanDerWaalsContact C-N 3.34Å; W654-V656 PolarHBondContact O-N 3.4Å; V656-Y659 PolarHBondContact O-N 3.33Å; V656-Q660 HydrophobicContact CG1-CG 4.33Å; V656-Q660 WeakPolarHBondContact O-CB 3.49Å; V656-Q660 VanDerWaalsContact O-CG 3.27Å; V656-Q660 WeakPolarHBondContact O-CG 3.37Å; V656-Q660 PolarHBondContact O-N 2.95Å; V656-F676 HydrophobicContact CG1-CE2 4.48Å; V656-F676 HydrophobicContact CG1-CZ 4.24Å; V656-Y679 HydrophobicContact CG2-CE1 3.64Å |
| 657 | K | 88.4 | Confident | 87.4 | Confident | 77 Ų | 77 | 65 Ų | 65 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.2 | -72.8 | 167 | -170.7 | 156.1 | 0 | 111.6 | D653 W654 A655 Y659 Q660 E661 | D653-K657 VanDerWaalsContact O-CD 3.29Å; D653-K657 WeakPolarHBondContact O-CD 3.41Å; D653-K657 VanDerWaalsContact O-CG 3.24Å; D653-K657 WeakPolarHBondContact O-CG 3.38Å; D653-K657 PolarHBondContact O-N 2.87Å; W654-K657 HydrophobicContact CE3-CD 4.18Å; W654-K657 HydrophobicContact CZ3-CD 4.2Å; W654-K657 WeakPolarHBondContact O-CB 3.45Å; W654-K657 PolarHBondContact O-N 3.3Å; W654-K657 VanDerWaalsContact O-N 3.13Å; A655-K657 VanDerWaalsContact C-N 3.33Å; A655-K657 PolarHBondContact O-N 3.5Å; K657-Y659 PolarHBondContact O-N 2.99Å; K657-Q660 PolarHBondContact O-N 3.29Å; K657-E661 WeakPolarHBondContact O-CB 3.3Å; K657-E661 VanDerWaalsContact O-CG 3.25Å; K657-E661 WeakPolarHBondContact O-CG 3.3Å; K657-E661 PolarHBondContact O-N 3.11Å |
| 658 | Y | 89.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 14% | 0.137 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.7 | -70.2 | -54.5 | 0 | 0 | 0 | 112.3 | L639 Y642 A646 W654 A655 R662 N1136 | L639-Y658 HydrophobicContact CD2-CD1 4.23Å; Y642-Y658 HydrophobicContact CD2-CD1 4.41Å; Y642-Y658 HydrophobicContact CD2-CE1 4.11Å; Y642-Y658 HydrophobicContact CG-CE1 4.5Å; A646-Y658 HydrophobicContact CB-CD2 4.16Å; A646-Y658 HydrophobicContact CB-CE2 4.23Å; W654-Y658 HydrophobicContact CB-CD2 4.42Å; W654-Y658 HydrophobicContact CB-CE2 4.06Å; W654-Y658 WeakPolarHBondContact O-CD2 3.47Å; W654-Y658 PolarHBondContact O-N 3Å; A655-Y658 PolarHBondContact O-N 3.32Å; Y658-R662 WeakPolarHBondContact O-CB 3.27Å; Y658-R662 PolarHBondContact O-N 3.3Å; Y658-N1136 PolarHBondContact OH-ND2 3.5Å; Y658-N1136 VanDerWaalsContact OH-ND2 3.1Å |
| 659 | Y | 93.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 173.3 | -78.3 | -64.6 | 0 | 0 | 0 | 112.8 | L640 A643 E647 A655 V656 K657 E661 R662 I663 D675 F676 Y679 | L640-Y659 HydrophobicContact CD1-CE1 3.89Å; A643-Y659 HydrophobicContact CB-CD1 4.33Å; A643-Y659 HydrophobicContact CB-CD2 3.94Å; A643-Y659 HydrophobicContact CB-CE1 4.03Å; A643-Y659 HydrophobicContact CB-CE2 3.63Å; A643-Y659 HydrophobicContact CB-CG 4.26Å; E647-Y659 WeakPolarHBondContact OE1-CE2 3.08Å; E647-Y659 PolarHBondContact OE1-OH 2.94Å; A655-Y659 WeakPolarHBondContact O-CD2 3.15Å; A655-Y659 PolarHBondContact O-N 2.97Å; V656-Y659 PolarHBondContact O-N 3.33Å; K657-Y659 PolarHBondContact O-N 2.99Å; Y659-E661 VanDerWaalsContact C-N 3.35Å; Y659-E661 PolarHBondContact O-N 2.92Å; Y659-R662 WeakPolarHBondContact O-CB 3.41Å; Y659-R662 PolarHBondContact O-N 2.85Å; Y659-I663 VanDerWaalsContact O-CG1 3.31Å; Y659-I663 WeakPolarHBondContact O-CG1 3.46Å; Y659-I663 PolarHBondContact O-N 3Å; Y659-D675 HydrophobicContact CE1-CB 4.09Å; Y659-F676 HydrophobicContact CD1-CB 3.96Å; Y659-F676 HydrophobicContact CD1-CD2 4.14Å; Y659-F676 HydrophobicContact CD1-CG 4.4Å; Y659-F676 AromaticContact CD2-CD2 3.63Å; Y659-F676 HydrophobicContact CD2-CD2 3.63Å; Y659-F676 HydrophobicContact CD2-CE2 4.11Å; Y659-F676 HydrophobicContact CE2-CD2 4.49Å; Y659-F676 HydrophobicContact CG-CB 4.12Å; Y659-F676 AromaticContact CG-CD2 3.43Å; Y659-F676 HydrophobicContact CG-CD2 3.43Å; Y659-F676 VanDerWaalsContact CG-CD2 3.43Å; Y659-F676 HydrophobicContact CG-CE2 4.12Å; Y659-F676 HydrophobicContact CG-CG 4.05Å; Y659-Y679 HydrophobicContact CD2-CD1 4.28Å; Y659-Y679 HydrophobicContact CD2-CG 4.09Å; Y659-Y679 HydrophobicContact CE2-CD1 4.27Å; Y659-Y679 AromaticContact CE2-CD2 3.95Å; Y659-Y679 HydrophobicContact CE2-CD2 3.95Å; Y659-Y679 AromaticContact CE2-CG 3.63Å; Y659-Y679 HydrophobicContact CE2-CG 3.63Å |
| 660 | Q | 91.8 | Very high | 88.2 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.1 | -73.7 | 174.9 | -6.7 | 0 | 0 | 112.1 | V656 K657 I663 A664 F676 | V656-Q660 HydrophobicContact CG1-CG 4.33Å; V656-Q660 WeakPolarHBondContact O-CB 3.49Å; V656-Q660 VanDerWaalsContact O-CG 3.27Å; V656-Q660 WeakPolarHBondContact O-CG 3.37Å; V656-Q660 PolarHBondContact O-N 2.95Å; K657-Q660 PolarHBondContact O-N 3.29Å; Q660-I663 PolarHBondContact O-N 3.41Å; Q660-A664 WeakPolarHBondContact O-CB 3.29Å; Q660-A664 PolarHBondContact O-N 2.94Å; Q660-F676 HydrophobicContact CG-CZ 4.39Å |
| 661 | E | 86.7 | Confident | 88.6 | Confident | 87 Ų | 87 | 58 Ų | 58 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 174 | -70.3 | -67 | 159.8 | 0 | 0 | 111 | K657 Y659 I663 A664 R665 | K657-E661 WeakPolarHBondContact O-CB 3.3Å; K657-E661 VanDerWaalsContact O-CG 3.25Å; K657-E661 WeakPolarHBondContact O-CG 3.3Å; K657-E661 PolarHBondContact O-N 3.11Å; Y659-E661 VanDerWaalsContact C-N 3.35Å; Y659-E661 PolarHBondContact O-N 2.92Å; E661-I663 VanDerWaalsContact C-N 3.34Å; E661-I663 PolarHBondContact O-N 3.1Å; E661-A664 PolarHBondContact O-N 3.18Å; E661-A664 VanDerWaalsContact O-N 3.15Å; E661-R665 VanDerWaalsContact O-CG 3.25Å; E661-R665 WeakPolarHBondContact O-CG 3.43Å; E661-R665 PolarHBondContact O-N 3.06Å |
| 662 | R | 90.5 | Very high | 89 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 176 | -175.4 | 177.5 | 174.1 | -140.6 | 1.3 | 111.8 | P636 L639 Y658 Y659 R665 N666 D675 | P636-R662 HydrophobicContact CB-CG 4.26Å; P636-R662 WeakPolarHBondContact O-CD 3.13Å; P636-R662 PolarHBondContact O-NE 3.36Å; L639-R662 HydrophobicContact CB-CB 4.05Å; L639-R662 HydrophobicContact CB-CG 4.39Å; L639-R662 HydrophobicContact CD1-CB 4.25Å; Y658-R662 WeakPolarHBondContact O-CB 3.27Å; Y658-R662 PolarHBondContact O-N 3.3Å; Y659-R662 WeakPolarHBondContact O-CB 3.41Å; Y659-R662 PolarHBondContact O-N 2.85Å; R662-R665 PolarHBondContact O-N 3.37Å; R662-N666 PolarHBondContact O-N 2.99Å; R662-N666 VanDerWaalsContact O-N 3.16Å; R662-D675 IonicContact CZ-OD2 3.59Å; R662-D675 VanDerWaalsContact CZ-OD2 3.27Å; R662-D675 VanDerWaalsContact NH1-CB 3.34Å; R662-D675 IonicContact NH1-OD2 3.02Å; R662-D675 PolarHBondContact NH1-OD2 3.41Å; R662-D675 IonicContact NH2-OD2 2.73Å; R662-D675 PolarHBondContact NH2-OD2 3.47Å |
| 663 | I | 91.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | -69.9 | 164.1 | 0 | 0 | 0 | 111 | Y659 Q660 E661 R665 N666 P667 C672 W673 F676 | Y659-I663 VanDerWaalsContact O-CG1 3.31Å; Y659-I663 WeakPolarHBondContact O-CG1 3.46Å; Y659-I663 PolarHBondContact O-N 3Å; Q660-I663 PolarHBondContact O-N 3.41Å; E661-I663 VanDerWaalsContact C-N 3.34Å; E661-I663 PolarHBondContact O-N 3.1Å; I663-R665 VanDerWaalsContact C-N 3.29Å; I663-R665 PolarHBondContact O-N 3.41Å; I663-N666 CarbonylContact O-C 3.58Å; I663-N666 VanDerWaalsContact O-C 3.23Å; I663-N666 PolarHBondContact O-N 3.13Å; I663-P667 VanDerWaalsContact O-CA 3.29Å; I663-P667 WeakPolarHBondContact O-CA 3.28Å; I663-C672 HydrophobicContact CG1-CB 3.95Å; I663-W673 HydrophobicContact CD1-CD2 4.05Å; I663-W673 HydrophobicContact CD1-CE3 3.76Å; I663-W673 HydrophobicContact CD1-CH2 4.2Å; I663-W673 HydrophobicContact CD1-CZ3 3.83Å; I663-W673 HydrophobicContact CG1-CD2 4.38Å; I663-W673 HydrophobicContact CG2-CD2 4.28Å; I663-W673 HydrophobicContact CG2-CH2 3.67Å; I663-W673 HydrophobicContact CG2-CZ2 3.26Å; I663-W673 HydrophobicContact CG2-CZ3 4.38Å; I663-F676 HydrophobicContact CD1-CB 4.02Å; I663-F676 HydrophobicContact CD1-CD1 3.54Å; I663-F676 HydrophobicContact CD1-CE1 4.28Å; I663-F676 HydrophobicContact CD1-CG 4.05Å |
| 664 | A | 87.8 | Confident | 89.7 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.5 | -31.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q660 E661 | Q660-A664 WeakPolarHBondContact O-CB 3.29Å; Q660-A664 PolarHBondContact O-N 2.94Å; E661-A664 PolarHBondContact O-N 3.18Å; E661-A664 VanDerWaalsContact O-N 3.15Å |
| 665 | R | 84.9 | Confident | 90.2 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.2 | -38.8 | 176 | -66.2 | -70.1 | -175.2 | -146.5 | 2.2 | 112.5 | E630 L639 E661 R662 I663 | E630-R665 IonicContact OE2-NH1 3.67Å; L639-R665 HydrophobicContact CD1-CG 4.17Å; E661-R665 VanDerWaalsContact O-CG 3.25Å; E661-R665 WeakPolarHBondContact O-CG 3.43Å; E661-R665 PolarHBondContact O-N 3.06Å; R662-R665 PolarHBondContact O-N 3.37Å; I663-R665 VanDerWaalsContact C-N 3.29Å; I663-R665 PolarHBondContact O-N 3.41Å |
| 666 | N | 86.5 | Confident | 90.5 | Very high | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | trans | -132.6 | 73.4 | -179.9 | -166.3 | -3.9 | 0 | 0 | 0 | 111.7 | R662 I663 S668 S669 | R662-N666 PolarHBondContact O-N 2.99Å; R662-N666 VanDerWaalsContact O-N 3.16Å; I663-N666 CarbonylContact O-C 3.58Å; I663-N666 VanDerWaalsContact O-C 3.23Å; I663-N666 PolarHBondContact O-N 3.13Å; N666-S668 PolarHBondContact O-N 3.39Å; N666-S669 WeakPolarHBondContact ND2-CB 3.29Å; N666-S669 PolarHBondContact O-N 2.86Å; N666-S669 PolarHBondContact OD1-N 2.9Å | ||
| 667 | P | 86.1 | Confident | 90.5 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 51% | 0.506 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.6 | -177.1 | 26.9 | -35.2 | 0 | 0 | 0 | 113 | I663 I699 | I663-P667 VanDerWaalsContact O-CA 3.29Å; I663-P667 WeakPolarHBondContact O-CA 3.28Å; P667-I699 VanDerWaalsContact O-CD1 3.32Å; P667-I699 WeakPolarHBondContact O-CD1 3.37Å |
| 668 | S | 87.5 | Confident | 90.8 | Very high | 93 Ų | 93 | 39.5 Ų | 39.5 | 65% | 0.65 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.5 | -179.8 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | N666 P670 I699 | N666-S668 PolarHBondContact O-N 3.39Å; S668-P670 WeakPolarHBondContact O-CD 3.42Å; S668-I699 WeakPolarHBondContact O-CG2 3.48Å |
| 669 | S | 90.5 | Very high | 91 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -93.1 | 117.6 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | N666 A671 C672 | N666-S669 WeakPolarHBondContact ND2-CB 3.29Å; N666-S669 PolarHBondContact O-N 2.86Å; N666-S669 PolarHBondContact OD1-N 2.9Å; S669-A671 VanDerWaalsContact C-N 3.29Å; S669-A671 PolarHBondContact O-N 2.86Å; S669-C672 PolarHBondContact O-N 3.43Å | ||
| 670 | P | 89.5 | Confident | 91 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 173.8 | -22.4 | 33 | 0 | 0 | 0 | 112.2 | S668 C672 W673 L674 S696 I699 D700 | S668-P670 WeakPolarHBondContact O-CD 3.42Å; P670-C672 PolarHBondContact O-N 2.89Å; P670-C672 VanDerWaalsContact O-N 3.14Å; P670-W673 PolarHBondContact O-N 2.9Å; P670-L674 PolarHBondContact O-N 3.13Å; P670-S696 WeakPolarHBondContact CB-OG 3.4Å; P670-S696 PolarHBondContact O-OG 3.4Å; P670-S696 VanDerWaalsContact O-OG 3.1Å; P670-I699 HydrophobicContact CG-CB 4.24Å; P670-I699 HydrophobicContact CG-CG2 3.84Å; P670-D700 HydrophobicContact CB-CB 4.31Å; P670-D700 HydrophobicContact CG-CB 3.55Å |
| 671 | A | 91.5 | Very high | 91 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.3 | -34.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S669 W673 L674 D675 | S669-A671 VanDerWaalsContact C-N 3.29Å; S669-A671 PolarHBondContact O-N 2.86Å; A671-W673 VanDerWaalsContact C-N 3.32Å; A671-W673 PolarHBondContact O-N 3.31Å; A671-L674 PolarHBondContact O-N 3.46Å; A671-D675 VanDerWaalsContact O-CG 3.26Å; A671-D675 PolarHBondContact O-N 3.4Å |
| 672 | C | 92.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | I663 S669 P670 F676 | I663-C672 HydrophobicContact CG1-CB 3.95Å; S669-C672 PolarHBondContact O-N 3.43Å; P670-C672 PolarHBondContact O-N 2.89Å; P670-C672 VanDerWaalsContact O-N 3.14Å; C672-F676 PolarHBondContact O-N 2.8Å |
| 673 | W | 94.3 | Very high | 91 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.8 | -38.7 | 174.9 | -70.4 | 102 | 0 | 0 | 0 | 112.2 | I663 P670 A671 F676 G677 R695 I699 | I663-W673 HydrophobicContact CD1-CD2 4.05Å; I663-W673 HydrophobicContact CD1-CE3 3.76Å; I663-W673 HydrophobicContact CD1-CH2 4.2Å; I663-W673 HydrophobicContact CD1-CZ3 3.83Å; I663-W673 HydrophobicContact CG1-CD2 4.38Å; I663-W673 HydrophobicContact CG2-CD2 4.28Å; I663-W673 HydrophobicContact CG2-CH2 3.67Å; I663-W673 HydrophobicContact CG2-CZ2 3.26Å; I663-W673 HydrophobicContact CG2-CZ3 4.38Å; P670-W673 PolarHBondContact O-N 2.9Å; A671-W673 VanDerWaalsContact C-N 3.32Å; A671-W673 PolarHBondContact O-N 3.31Å; W673-F676 PolarHBondContact O-N 2.92Å; W673-G677 PolarHBondContact O-N 3.37Å; W673-R695 HydrophobicContact CD2-CB 3.89Å; W673-R695 HydrophobicContact CE3-CB 4Å; W673-R695 HydrophobicContact CG-CB 4.27Å; W673-R695 HydrophobicContact CZ3-CB 4.48Å; W673-R695 VanDerWaalsContact CZ3-CD 3.44Å; W673-I699 VanDerWaalsContact CD1-CD1 3.44Å |
| 674 | L | 94.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -49 | 176.3 | -65.9 | -171.4 | 0 | 0 | 0 | 111.9 | P670 A671 F676 G677 V678 F693 S696 T705 | P670-L674 PolarHBondContact O-N 3.13Å; A671-L674 PolarHBondContact O-N 3.46Å; L674-F676 VanDerWaalsContact C-N 3.27Å; L674-F676 PolarHBondContact O-N 3.4Å; L674-G677 WeakPolarHBondContact O-CA 3.24Å; L674-G677 PolarHBondContact O-N 3.43Å; L674-G677 VanDerWaalsContact O-N 3.1Å; L674-V678 WeakPolarHBondContact O-CG2 3.37Å; L674-V678 PolarHBondContact O-N 3.05Å; L674-F693 HydrophobicContact CD2-CD1 3.65Å; L674-F693 HydrophobicContact CD2-CE1 4.14Å; L674-F693 WeakPolarHBondContact O-CE1 3.29Å; L674-S696 WeakPolarHBondContact CD2-OG 3.46Å; L674-S696 VanDerWaalsContact CG-OG 3.31Å; L674-S696 WeakPolarHBondContact CG-OG 3.49Å; L674-T705 HydrophobicContact CD1-CG2 3.95Å |
| 675 | D | 94.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -34.7 | -178.9 | -64.1 | -26.1 | 0 | 0 | 0 | 111.4 | L640 Y659 R662 A671 V678 Y679 R911 | L640-D675 HydrophobicContact CD1-CB 4.25Å; Y659-D675 HydrophobicContact CE1-CB 4.09Å; R662-D675 IonicContact CZ-OD2 3.59Å; R662-D675 VanDerWaalsContact CZ-OD2 3.27Å; R662-D675 VanDerWaalsContact NH1-CB 3.34Å; R662-D675 IonicContact NH1-OD2 3.02Å; R662-D675 PolarHBondContact NH1-OD2 3.41Å; R662-D675 IonicContact NH2-OD2 2.73Å; R662-D675 PolarHBondContact NH2-OD2 3.47Å; A671-D675 VanDerWaalsContact O-CG 3.26Å; A671-D675 PolarHBondContact O-N 3.4Å; D675-V678 PolarHBondContact O-N 3.01Å; D675-Y679 PolarHBondContact O-N 3.07Å; D675-R911 IonicContact OD1-NH1 3.16Å; D675-R911 PolarHBondContact OD1-NH1 3.08Å |
| 676 | F | 95.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 173.2 | -170.7 | -147 | 0 | 0 | 0 | 112.5 | V656 Y659 Q660 I663 C672 W673 L674 Y679 Y680 C692 | V656-F676 HydrophobicContact CG1-CE2 4.48Å; V656-F676 HydrophobicContact CG1-CZ 4.24Å; Y659-F676 HydrophobicContact CD1-CB 3.96Å; Y659-F676 HydrophobicContact CD1-CD2 4.14Å; Y659-F676 HydrophobicContact CD1-CG 4.4Å; Y659-F676 AromaticContact CD2-CD2 3.63Å; Y659-F676 HydrophobicContact CD2-CD2 3.63Å; Y659-F676 HydrophobicContact CD2-CE2 4.11Å; Y659-F676 HydrophobicContact CE2-CD2 4.49Å; Y659-F676 HydrophobicContact CG-CB 4.12Å; Y659-F676 AromaticContact CG-CD2 3.43Å; Y659-F676 HydrophobicContact CG-CD2 3.43Å; Y659-F676 VanDerWaalsContact CG-CD2 3.43Å; Y659-F676 HydrophobicContact CG-CE2 4.12Å; Y659-F676 HydrophobicContact CG-CG 4.05Å; Q660-F676 HydrophobicContact CG-CZ 4.39Å; I663-F676 HydrophobicContact CD1-CB 4.02Å; I663-F676 HydrophobicContact CD1-CD1 3.54Å; I663-F676 HydrophobicContact CD1-CE1 4.28Å; I663-F676 HydrophobicContact CD1-CG 4.05Å; C672-F676 PolarHBondContact O-N 2.8Å; W673-F676 PolarHBondContact O-N 2.92Å; L674-F676 VanDerWaalsContact C-N 3.27Å; L674-F676 PolarHBondContact O-N 3.4Å; F676-Y679 AromaticContact CD2-CD1 3.94Å; F676-Y679 HydrophobicContact CD2-CD1 3.94Å; F676-Y679 AromaticContact CE2-CD1 3.88Å; F676-Y679 HydrophobicContact CE2-CD1 3.88Å; F676-Y679 HydrophobicContact CE2-CE1 4.3Å; F676-Y679 WeakPolarHBondContact O-CB 3.47Å; F676-Y679 PolarHBondContact O-N 3.44Å; F676-Y680 HydrophobicContact CD1-CE2 4.07Å; F676-Y680 HydrophobicContact CD2-CD2 4.29Å; F676-Y680 AromaticContact CD2-CE2 3.92Å; F676-Y680 HydrophobicContact CD2-CE2 3.92Å; F676-Y680 AromaticContact CE1-CE2 3.64Å; F676-Y680 HydrophobicContact CE1-CE2 3.64Å; F676-Y680 HydrophobicContact CE2-CD2 4.23Å; F676-Y680 AromaticContact CE2-CE2 3.47Å; F676-Y680 HydrophobicContact CE2-CE2 3.47Å; F676-Y680 VanDerWaalsContact CE2-CE2 3.47Å; F676-Y680 AromaticContact CE2-CZ 3.79Å; F676-Y680 HydrophobicContact CG-CE2 4.22Å; F676-Y680 HydrophobicContact CZ-CD2 4.42Å; F676-Y680 AromaticContact CZ-CE2 3.33Å; F676-Y680 HydrophobicContact CZ-CE2 3.33Å; F676-Y680 AromaticContact CZ-CZ 3.6Å; F676-Y680 VanDerWaalsContact CZ-OH 3.24Å; F676-Y680 WeakPolarHBondContact CZ-OH 3.34Å; F676-Y680 VanDerWaalsContact O-CD2 3.29Å; F676-Y680 WeakPolarHBondContact O-CD2 3.41Å; F676-Y680 PolarHBondContact O-N 3.33Å; F676-C692 VanDerWaalsContact CD1-SG 3.6Å |
| 677 | G | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | W673 L674 Y679 Y680 L681 | W673-G677 PolarHBondContact O-N 3.37Å; L674-G677 WeakPolarHBondContact O-CA 3.24Å; L674-G677 PolarHBondContact O-N 3.43Å; L674-G677 VanDerWaalsContact O-N 3.1Å; G677-Y679 VanDerWaalsContact C-N 3.28Å; G677-Y679 PolarHBondContact O-N 2.9Å; G677-Y680 WeakPolarHBondContact O-CA 3.14Å; G677-Y680 WeakPolarHBondContact O-CB 3.35Å; G677-Y680 PolarHBondContact O-N 3.23Å; G677-L681 WeakPolarHBondContact O-CG 3.34Å; G677-L681 PolarHBondContact O-N 3.27Å |
| 678 | V | 94.8 | Very high | 92 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 112.3 | L674 D675 L681 G682 L709 R911 N912 | L674-V678 WeakPolarHBondContact O-CG2 3.37Å; L674-V678 PolarHBondContact O-N 3.05Å; D675-V678 PolarHBondContact O-N 3.01Å; V678-L681 WeakPolarHBondContact O-CB 3.39Å; V678-L681 PolarHBondContact O-N 3.13Å; V678-G682 PolarHBondContact O-N 3.48Å; V678-L709 HydrophobicContact CG2-CD1 4.06Å; V678-R911 HydrophobicContact CG2-CB 4.29Å; V678-R911 HydrophobicContact CG2-CG 4.43Å; V678-N912 PolarHBondContact O-ND2 3.02Å; V678-N912 VanDerWaalsContact O-ND2 3.13Å |
| 679 | Y | 93.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 171.6 | 163.1 | -103.5 | 0 | 0 | 0 | 111.9 | E647 A655 V656 Y659 D675 F676 G677 L681 G682 R683 | E647-Y679 HydrophobicContact CG-CD2 3.47Å; E647-Y679 VanDerWaalsContact CG-CD2 3.47Å; E647-Y679 HydrophobicContact CG-CE2 3.63Å; E647-Y679 WeakPolarHBondContact OE1-CD2 3.39Å; A655-Y679 HydrophobicContact CB-CE2 3.91Å; V656-Y679 HydrophobicContact CG2-CE1 3.64Å; Y659-Y679 HydrophobicContact CD2-CD1 4.28Å; Y659-Y679 HydrophobicContact CD2-CG 4.09Å; Y659-Y679 HydrophobicContact CE2-CD1 4.27Å; Y659-Y679 AromaticContact CE2-CD2 3.95Å; Y659-Y679 HydrophobicContact CE2-CD2 3.95Å; Y659-Y679 AromaticContact CE2-CG 3.63Å; Y659-Y679 HydrophobicContact CE2-CG 3.63Å; D675-Y679 PolarHBondContact O-N 3.07Å; F676-Y679 AromaticContact CD2-CD1 3.94Å; F676-Y679 HydrophobicContact CD2-CD1 3.94Å; F676-Y679 AromaticContact CE2-CD1 3.88Å; F676-Y679 HydrophobicContact CE2-CD1 3.88Å; F676-Y679 HydrophobicContact CE2-CE1 4.3Å; F676-Y679 WeakPolarHBondContact O-CB 3.47Å; F676-Y679 PolarHBondContact O-N 3.44Å; G677-Y679 VanDerWaalsContact C-N 3.28Å; G677-Y679 PolarHBondContact O-N 2.9Å; Y679-L681 VanDerWaalsContact C-N 3.3Å; Y679-L681 PolarHBondContact O-N 3.14Å; Y679-G682 PolarHBondContact O-N 3.44Å; Y679-R683 HydrophobicContact CE1-CG 4.32Å; Y679-R683 HydrophobicContact CE2-CG 4.21Å; Y679-R683 WeakPolarHBondContact O-CG 3.45Å; Y679-R683 PolarHBondContact O-N 2.87Å; Y679-R683 PolarHBondContact OH-NE 2.96Å |
| 680 | Y | 93.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -30.5 | 176.3 | -75.7 | -62 | 0 | 0 | 0 | 113.2 | F676 G677 R683 N684 D685 Q688 | F676-Y680 HydrophobicContact CD1-CE2 4.07Å; F676-Y680 HydrophobicContact CD2-CD2 4.29Å; F676-Y680 AromaticContact CD2-CE2 3.92Å; F676-Y680 HydrophobicContact CD2-CE2 3.92Å; F676-Y680 AromaticContact CE1-CE2 3.64Å; F676-Y680 HydrophobicContact CE1-CE2 3.64Å; F676-Y680 HydrophobicContact CE2-CD2 4.23Å; F676-Y680 AromaticContact CE2-CE2 3.47Å; F676-Y680 HydrophobicContact CE2-CE2 3.47Å; F676-Y680 VanDerWaalsContact CE2-CE2 3.47Å; F676-Y680 AromaticContact CE2-CZ 3.79Å; F676-Y680 HydrophobicContact CG-CE2 4.22Å; F676-Y680 HydrophobicContact CZ-CD2 4.42Å; F676-Y680 AromaticContact CZ-CE2 3.33Å; F676-Y680 HydrophobicContact CZ-CE2 3.33Å; F676-Y680 AromaticContact CZ-CZ 3.6Å; F676-Y680 VanDerWaalsContact CZ-OH 3.24Å; F676-Y680 WeakPolarHBondContact CZ-OH 3.34Å; F676-Y680 VanDerWaalsContact O-CD2 3.29Å; F676-Y680 WeakPolarHBondContact O-CD2 3.41Å; F676-Y680 PolarHBondContact O-N 3.33Å; G677-Y680 WeakPolarHBondContact O-CA 3.14Å; G677-Y680 WeakPolarHBondContact O-CB 3.35Å; G677-Y680 PolarHBondContact O-N 3.23Å; Y680-R683 CarbonylContact O-C 3.56Å; Y680-R683 WeakPolarHBondContact O-CA 3.36Å; Y680-R683 WeakPolarHBondContact O-CB 3.45Å; Y680-R683 PolarHBondContact O-N 3.04Å; Y680-R683 VanDerWaalsContact O-N 3.11Å; Y680-N684 PolarHBondContact O-N 3.45Å; Y680-D685 HydrophobicContact CD1-CB 4.11Å; Y680-D685 PolarHBondContact O-N 2.93Å; Y680-Q688 HydrophobicContact CD1-CB 3.67Å; Y680-Q688 HydrophobicContact CD1-CG 4.37Å; Y680-Q688 HydrophobicContact CD2-CB 3.74Å; Y680-Q688 HydrophobicContact CE1-CB 3.8Å; Y680-Q688 HydrophobicContact CE1-CG 4.13Å; Y680-Q688 HydrophobicContact CE2-CB 3.83Å; Y680-Q688 HydrophobicContact CG-CB 3.65Å |
| 681 | L | 91.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 171.1 | -63.5 | 176.5 | 0 | 0 | 0 | 112.3 | G677 V678 Y679 R683 N684 L686 A689 F693 V713 N912 M913 Y1013 | G677-L681 WeakPolarHBondContact O-CG 3.34Å; G677-L681 PolarHBondContact O-N 3.27Å; V678-L681 WeakPolarHBondContact O-CB 3.39Å; V678-L681 PolarHBondContact O-N 3.13Å; Y679-L681 VanDerWaalsContact C-N 3.3Å; Y679-L681 PolarHBondContact O-N 3.14Å; L681-R683 PolarHBondContact O-N 2.98Å; L681-N684 PolarHBondContact O-N 3.36Å; L681-L686 HydrophobicContact CD2-CD2 3.91Å; L681-A689 HydrophobicContact CD2-CB 3.38Å; L681-A689 HydrophobicContact CG-CB 3.87Å; L681-F693 HydrophobicContact CD1-CE2 3.69Å; L681-F693 HydrophobicContact CD1-CZ 3.58Å; L681-F693 HydrophobicContact CD2-CE2 4.3Å; L681-F693 HydrophobicContact CG-CE2 4.1Å; L681-F693 HydrophobicContact CG-CZ 4.18Å; L681-V713 HydrophobicContact CD1-CG2 4.28Å; L681-V713 HydrophobicContact CD2-CG2 3.45Å; L681-V713 VanDerWaalsContact CD2-CG2 3.45Å; L681-V713 HydrophobicContact CG-CG2 4.4Å; L681-N912 HydrophobicContact CB-CB 4.32Å; L681-M913 HydrophobicContact CB-CE 3.86Å; L681-M913 HydrophobicContact CD1-CE 3.35Å; L681-M913 HydrophobicContact CD1-SD 3.93Å; L681-M913 HydrophobicContact CD2-CE 3.81Å; L681-M913 HydrophobicContact CG-CE 3.81Å; L681-Y1013 PolarHBondContact O-OH 3.1Å; L681-Y1013 VanDerWaalsContact O-OH 3.09Å |
| 682 | G | 87.6 | Confident | 92.6 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -25 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V678 Y679 N684 | V678-G682 PolarHBondContact O-N 3.48Å; Y679-G682 PolarHBondContact O-N 3.44Å; G682-N684 VanDerWaalsContact C-N 3.33Å |
| 683 | R | 88.3 | Confident | 92.7 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 31% | 0.313 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -6.7 | 174 | -64.5 | -80.6 | 160.8 | -123.6 | -27.4 | 113.8 | Y652 Y679 Y680 L681 D685 | Y652-R683 VanDerWaalsContact CZ-CZ 3.5Å; Y652-R683 PolarHBondContact OH-NH1 3.28Å; Y652-R683 VanDerWaalsContact OH-NH1 3.12Å; Y679-R683 HydrophobicContact CE1-CG 4.32Å; Y679-R683 HydrophobicContact CE2-CG 4.21Å; Y679-R683 WeakPolarHBondContact O-CG 3.45Å; Y679-R683 PolarHBondContact O-N 2.87Å; Y679-R683 PolarHBondContact OH-NE 2.96Å; Y680-R683 CarbonylContact O-C 3.56Å; Y680-R683 WeakPolarHBondContact O-CA 3.36Å; Y680-R683 WeakPolarHBondContact O-CB 3.45Å; Y680-R683 PolarHBondContact O-N 3.04Å; Y680-R683 VanDerWaalsContact O-N 3.11Å; L681-R683 PolarHBondContact O-N 2.98Å; R683-D685 HydrophobicContact CB-CB 4.38Å; R683-D685 PolarHBondContact O-N 2.79Å |
| 684 | N | 89.1 | Confident | 92.6 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 44% | 0.444 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 20.7 | -166.7 | -154.4 | 37.1 | 0 | 0 | 0 | 114.3 | Y680 L681 G682 L686 Y1013 | Y680-N684 PolarHBondContact O-N 3.45Å; L681-N684 PolarHBondContact O-N 3.36Å; G682-N684 VanDerWaalsContact C-N 3.33Å; N684-L686 PolarHBondContact O-N 3.34Å; N684-Y1013 WeakPolarHBondContact CA-OH 3.39Å; N684-Y1013 HydrophobicContact CB-CD1 4.38Å; N684-Y1013 HydrophobicContact CB-CE1 3.52Å; N684-Y1013 HydrophobicContact CB-CE2 4.49Å; N684-Y1013 WeakPolarHBondContact CB-OH 3.31Å; N684-Y1013 PolarHBondContact OD1-OH 3.31Å; N684-Y1013 VanDerWaalsContact OD1-OH 3.04Å |
| 685 | D | 91.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | trans | -91.2 | 83.6 | 175.3 | -171.7 | -19.7 | 0 | 0 | 0 | 109.3 | Y680 R683 E687 Q688 A689 | Y680-D685 HydrophobicContact CD1-CB 4.11Å; Y680-D685 PolarHBondContact O-N 2.93Å; R683-D685 HydrophobicContact CB-CB 4.38Å; R683-D685 PolarHBondContact O-N 2.79Å; D685-E687 VanDerWaalsContact C-N 3.26Å; D685-E687 PolarHBondContact O-N 3.45Å; D685-E687 PolarHBondContact OD1-N 3.25Å; D685-Q688 PolarHBondContact OD1-N 3.46Å; D685-Q688 VanDerWaalsContact OD2-CG 3.22Å; D685-Q688 WeakPolarHBondContact OD2-CG 3.42Å; D685-A689 WeakPolarHBondContact O-CB 3.31Å; D685-A689 PolarHBondContact O-N 3Å; D685-A689 VanDerWaalsContact O-N 3.13Å | ||
| 686 | L | 93.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.1 | -27.9 | -176.5 | -57.2 | -179 | 0 | 0 | 0 | 112.3 | L681 N684 A690 V713 M716 Q717 | L681-L686 HydrophobicContact CD2-CD2 3.91Å; N684-L686 PolarHBondContact O-N 3.34Å; L686-A690 VanDerWaalsContact O-CB 3.27Å; L686-A690 WeakPolarHBondContact O-CB 3.47Å; L686-A690 PolarHBondContact O-N 3.29Å; L686-V713 HydrophobicContact CB-CG1 4.32Å; L686-M716 HydrophobicContact CD1-CB 3.99Å; L686-M716 HydrophobicContact CD1-CE 4.46Å; L686-M716 HydrophobicContact CD2-CE 3.86Å; L686-M716 HydrophobicContact CD2-SD 4.26Å; L686-Q717 HydrophobicContact CB-CG 4.16Å; L686-Q717 HydrophobicContact CD1-CG 4.15Å; L686-Q717 PolarHBondContact O-NE2 3.23Å |
| 687 | E | 92.7 | Very high | 92.2 | Very high | 143 Ų | 143 | 38.3 Ų | 38.3 | 67% | 0.668 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -71.9 | -47.3 | -177.9 | -64.4 | -174.9 | 178.8 | 0 | 0 | 111.5 | D685 A689 A690 T691 | D685-E687 VanDerWaalsContact C-N 3.26Å; D685-E687 PolarHBondContact O-N 3.45Å; D685-E687 PolarHBondContact OD1-N 3.25Å; E687-A689 VanDerWaalsContact C-N 3.35Å; E687-A690 PolarHBondContact O-N 3.31Å; E687-T691 PolarHBondContact O-N 2.99Å; E687-T691 VanDerWaalsContact O-N 3.11Å; E687-T691 PolarHBondContact O-OG1 3.11Å |
| 688 | Q | 92.2 | Very high | 92 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.4 | -35.6 | 175.8 | -66.3 | -56.5 | -56 | 0 | 0 | 111.6 | Y680 D685 T691 C692 | Y680-Q688 HydrophobicContact CD1-CB 3.67Å; Y680-Q688 HydrophobicContact CD1-CG 4.37Å; Y680-Q688 HydrophobicContact CD2-CB 3.74Å; Y680-Q688 HydrophobicContact CE1-CB 3.8Å; Y680-Q688 HydrophobicContact CE1-CG 4.13Å; Y680-Q688 HydrophobicContact CE2-CB 3.83Å; Y680-Q688 HydrophobicContact CG-CB 3.65Å; D685-Q688 PolarHBondContact OD1-N 3.46Å; D685-Q688 VanDerWaalsContact OD2-CG 3.22Å; D685-Q688 WeakPolarHBondContact OD2-CG 3.42Å; Q688-T691 PolarHBondContact O-N 3Å; Q688-C692 PolarHBondContact O-N 3.03Å; Q688-C692 PolarHBondContact O-SG 3.42Å |
| 689 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L681 D685 E687 T691 C692 F693 | L681-A689 HydrophobicContact CD2-CB 3.38Å; L681-A689 HydrophobicContact CG-CB 3.87Å; D685-A689 WeakPolarHBondContact O-CB 3.31Å; D685-A689 PolarHBondContact O-N 3Å; D685-A689 VanDerWaalsContact O-N 3.13Å; E687-A689 VanDerWaalsContact C-N 3.35Å; A689-T691 VanDerWaalsContact C-N 3.29Å; A689-T691 PolarHBondContact O-N 3.47Å; A689-C692 WeakPolarHBondContact O-CB 3.5Å; A689-C692 PolarHBondContact O-N 2.84Å; A689-C692 VanDerWaalsContact O-N 3.07Å; A689-F693 HydrophobicContact CB-CD2 4.48Å; A689-F693 HydrophobicContact CB-CE2 3.97Å; A689-F693 WeakPolarHBondContact O-CD2 3.4Å; A689-F693 WeakPolarHBondContact O-CG 3.17Å; A689-F693 PolarHBondContact O-N 3.35Å |
| 690 | A | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.1 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L686 E687 C692 F693 H694 F710 V713 | L686-A690 VanDerWaalsContact O-CB 3.27Å; L686-A690 WeakPolarHBondContact O-CB 3.47Å; L686-A690 PolarHBondContact O-N 3.29Å; E687-A690 PolarHBondContact O-N 3.31Å; A690-C692 VanDerWaalsContact C-N 3.33Å; A690-C692 PolarHBondContact O-N 3.09Å; A690-F693 PolarHBondContact O-N 3.36Å; A690-H694 VanDerWaalsContact O-CB 3.31Å; A690-H694 WeakPolarHBondContact O-CB 3.29Å; A690-H694 PolarHBondContact O-N 2.99Å; A690-F710 HydrophobicContact CB-CD2 4.45Å; A690-F710 HydrophobicContact CB-CE2 3.86Å; A690-V713 HydrophobicContact CB-CG1 4.04Å |
| 691 | T | 91.7 | Very high | 91.4 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | E687 Q688 A689 R695 | E687-T691 PolarHBondContact O-N 2.99Å; E687-T691 VanDerWaalsContact O-N 3.11Å; E687-T691 PolarHBondContact O-OG1 3.11Å; Q688-T691 PolarHBondContact O-N 3Å; A689-T691 VanDerWaalsContact C-N 3.29Å; A689-T691 PolarHBondContact O-N 3.47Å; T691-R695 WeakPolarHBondContact O-CG 3.32Å; T691-R695 PolarHBondContact O-N 2.9Å; T691-R695 VanDerWaalsContact O-N 3.1Å |
| 692 | C | 92 | Very high | 91.2 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | F676 Q688 A689 A690 R695 S696 | F676-C692 VanDerWaalsContact CD1-SG 3.6Å; Q688-C692 PolarHBondContact O-N 3.03Å; Q688-C692 PolarHBondContact O-SG 3.42Å; A689-C692 WeakPolarHBondContact O-CB 3.5Å; A689-C692 PolarHBondContact O-N 2.84Å; A689-C692 VanDerWaalsContact O-N 3.07Å; A690-C692 VanDerWaalsContact C-N 3.33Å; A690-C692 PolarHBondContact O-N 3.09Å; C692-R695 PolarHBondContact O-N 2.54Å; C692-S696 PolarHBondContact O-N 3.35Å |
| 693 | F | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 178.1 | -60 | -43 | 0 | 0 | 0 | 112.5 | L674 L681 A689 A690 R695 S696 L697 L709 F710 V713 | L674-F693 HydrophobicContact CD2-CD1 3.65Å; L674-F693 HydrophobicContact CD2-CE1 4.14Å; L674-F693 WeakPolarHBondContact O-CE1 3.29Å; L681-F693 HydrophobicContact CD1-CE2 3.69Å; L681-F693 HydrophobicContact CD1-CZ 3.58Å; L681-F693 HydrophobicContact CD2-CE2 4.3Å; L681-F693 HydrophobicContact CG-CE2 4.1Å; L681-F693 HydrophobicContact CG-CZ 4.18Å; A689-F693 HydrophobicContact CB-CD2 4.48Å; A689-F693 HydrophobicContact CB-CE2 3.97Å; A689-F693 WeakPolarHBondContact O-CD2 3.4Å; A689-F693 WeakPolarHBondContact O-CG 3.17Å; A689-F693 PolarHBondContact O-N 3.35Å; A690-F693 PolarHBondContact O-N 3.36Å; F693-R695 VanDerWaalsContact C-N 3.33Å; F693-R695 PolarHBondContact O-N 3Å; F693-S696 WeakPolarHBondContact O-CB 3.17Å; F693-S696 PolarHBondContact O-N 2.8Å; F693-S696 VanDerWaalsContact O-N 3.13Å; F693-L697 WeakPolarHBondContact O-CG 3.34Å; F693-L697 PolarHBondContact O-N 2.69Å; F693-L709 HydrophobicContact CD1-CB 4.11Å; F693-L709 HydrophobicContact CD1-CD1 4.46Å; F693-L709 HydrophobicContact CD2-CB 4.28Å; F693-L709 HydrophobicContact CE1-CB 3.86Å; F693-L709 HydrophobicContact CE1-CD1 3.72Å; F693-L709 HydrophobicContact CE1-CG 4.41Å; F693-L709 HydrophobicContact CE2-CB 4.05Å; F693-L709 HydrophobicContact CG-CB 4.33Å; F693-L709 HydrophobicContact CZ-CB 3.84Å; F693-L709 HydrophobicContact CZ-CD1 4.06Å; F693-L709 HydrophobicContact CZ-CG 4.44Å; F693-F710 HydrophobicContact CB-CB 3.87Å; F693-F710 HydrophobicContact CB-CD2 4.04Å; F693-F710 HydrophobicContact CB-CG 4.06Å; F693-V713 HydrophobicContact CD2-CG2 3.98Å; F693-V713 HydrophobicContact CE2-CG2 3.67Å |
| 694 | H | 92.5 | Very high | 91.5 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.6 | -47.2 | 170.9 | 179.3 | -71.8 | 0 | 0 | 0 | 111.6 | Y493 I494 A690 S696 L697 T698 F710 | Y493-H694 PolarHBondContact O-NE2 3.04Å; I494-H694 WeakPolarHBondContact CA-NE2 3.47Å; I494-H694 PolarHBondContact O-CE1 3.05Å; I494-H694 PolarHBondContact O-NE2 3.07Å; A690-H694 VanDerWaalsContact O-CB 3.31Å; A690-H694 WeakPolarHBondContact O-CB 3.29Å; A690-H694 PolarHBondContact O-N 2.99Å; H694-S696 VanDerWaalsContact C-N 3.33Å; H694-S696 PolarHBondContact O-N 3.37Å; H694-L697 PolarHBondContact O-N 3.34Å; H694-T698 PolarHBondContact O-N 3.23Å; H694-T698 PolarHBondContact O-OG1 3.35Å; H694-F710 HydrophobicContact CB-CZ 4.38Å |
| 695 | R | 91 | Very high | 91.6 | Very high | 128 Ų | 128 | 50.9 Ų | 50.9 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 176 | -74.5 | -178.2 | 179 | -174 | 1.9 | 112.7 | W673 T691 C692 F693 T698 I699 | W673-R695 HydrophobicContact CD2-CB 3.89Å; W673-R695 HydrophobicContact CE3-CB 4Å; W673-R695 HydrophobicContact CG-CB 4.27Å; W673-R695 HydrophobicContact CZ3-CB 4.48Å; W673-R695 VanDerWaalsContact CZ3-CD 3.44Å; T691-R695 WeakPolarHBondContact O-CG 3.32Å; T691-R695 PolarHBondContact O-N 2.9Å; T691-R695 VanDerWaalsContact O-N 3.1Å; C692-R695 PolarHBondContact O-N 2.54Å; F693-R695 VanDerWaalsContact C-N 3.33Å; F693-R695 PolarHBondContact O-N 3Å; R695-T698 WeakPolarHBondContact O-CB 3.47Å; R695-T698 PolarHBondContact O-N 3.3Å; R695-I699 PolarHBondContact O-N 3.25Å |
| 696 | S | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 174 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | P670 L674 C692 F693 H694 T698 I699 D700 Q703 | P670-S696 WeakPolarHBondContact CB-OG 3.4Å; P670-S696 PolarHBondContact O-OG 3.4Å; P670-S696 VanDerWaalsContact O-OG 3.1Å; L674-S696 WeakPolarHBondContact CD2-OG 3.46Å; L674-S696 VanDerWaalsContact CG-OG 3.31Å; L674-S696 WeakPolarHBondContact CG-OG 3.49Å; C692-S696 PolarHBondContact O-N 3.35Å; F693-S696 WeakPolarHBondContact O-CB 3.17Å; F693-S696 PolarHBondContact O-N 2.8Å; F693-S696 VanDerWaalsContact O-N 3.13Å; H694-S696 VanDerWaalsContact C-N 3.33Å; H694-S696 PolarHBondContact O-N 3.37Å; S696-T698 VanDerWaalsContact C-N 3.28Å; S696-T698 PolarHBondContact O-N 3.27Å; S696-I699 WeakPolarHBondContact O-CB 3.27Å; S696-I699 PolarHBondContact O-N 3.05Å; S696-I699 VanDerWaalsContact O-N 3.08Å; S696-D700 PolarHBondContact O-N 3.02Å; S696-Q703 PolarHBondContact OG-OE1 2.94Å |
| 697 | L | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.5 | -23.4 | 179.9 | -70.4 | 172.5 | 0 | 0 | 0 | 113.2 | I494 F693 H694 I699 D700 P701 L707 F710 F726 | I494-L697 HydrophobicContact CD1-CB 3.82Å; I494-L697 HydrophobicContact CG1-CB 4.19Å; F693-L697 WeakPolarHBondContact O-CG 3.34Å; F693-L697 PolarHBondContact O-N 2.69Å; H694-L697 PolarHBondContact O-N 3.34Å; L697-I699 VanDerWaalsContact C-N 3.25Å; L697-I699 PolarHBondContact O-N 2.95Å; L697-D700 CarbonylContact O-C 3.42Å; L697-P701 VanDerWaalsContact O-CA 3.27Å; L697-P701 WeakPolarHBondContact O-CA 3.42Å; L697-P701 WeakPolarHBondContact O-CD 3.28Å; L697-P701 VanDerWaalsContact O-CG 3.31Å; L697-P701 WeakPolarHBondContact O-CG 3.28Å; L697-P701 VanDerWaalsContact O-N 3.11Å; L697-L707 HydrophobicContact CD1-CD2 4.23Å; L697-L707 HydrophobicContact CD2-CD2 3.74Å; L697-L707 HydrophobicContact CD2-CG 3.87Å; L697-F710 HydrophobicContact CD1-CB 3.93Å; L697-F710 HydrophobicContact CD1-CD1 3.58Å; L697-F710 HydrophobicContact CD1-CG 4.16Å; L697-F726 HydrophobicContact CD1-CD1 4.37Å; L697-F726 HydrophobicContact CD1-CE1 3.94Å |
| 698 | T | 90.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -31.3 | 170.3 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | H694 R695 S696 | H694-T698 PolarHBondContact O-N 3.23Å; H694-T698 PolarHBondContact O-OG1 3.35Å; R695-T698 WeakPolarHBondContact O-CB 3.47Å; R695-T698 PolarHBondContact O-N 3.3Å; S696-T698 VanDerWaalsContact C-N 3.28Å; S696-T698 PolarHBondContact O-N 3.27Å |
| 699 | I | 90.3 | Very high | 92 | Very high | 67 Ų | 67 | 36 Ų | 36 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -81.8 | -50.6 | 177.9 | -60.8 | 165 | 0 | 0 | 0 | 110.2 | P667 S668 P670 W673 R695 S696 L697 | P667-I699 VanDerWaalsContact O-CD1 3.32Å; P667-I699 WeakPolarHBondContact O-CD1 3.37Å; S668-I699 WeakPolarHBondContact O-CG2 3.48Å; P670-I699 HydrophobicContact CG-CB 4.24Å; P670-I699 HydrophobicContact CG-CG2 3.84Å; W673-I699 VanDerWaalsContact CD1-CD1 3.44Å; R695-I699 PolarHBondContact O-N 3.25Å; S696-I699 WeakPolarHBondContact O-CB 3.27Å; S696-I699 PolarHBondContact O-N 3.05Å; S696-I699 VanDerWaalsContact O-N 3.08Å; L697-I699 VanDerWaalsContact C-N 3.25Å; L697-I699 PolarHBondContact O-N 2.95Å |
| 700 | D | 90.3 | Very high | 92 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | trans | -131 | 96.1 | 176.5 | -175.7 | 2.8 | 0 | 0 | 0 | 111.1 | P670 S696 L697 K702 Q703 | P670-D700 HydrophobicContact CB-CB 4.31Å; P670-D700 HydrophobicContact CG-CB 3.55Å; S696-D700 PolarHBondContact O-N 3.02Å; L697-D700 CarbonylContact O-C 3.42Å; D700-K702 PolarHBondContact O-N 3.13Å; D700-K702 PolarHBondContact OD1-N 3.43Å; D700-Q703 HydrophobicContact CB-CB 4.24Å; D700-Q703 PolarHBondContact O-N 3.01Å | ||
| 701 | P | 88.7 | Confident | 92 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.3 | 179.4 | -21.2 | 31.6 | 0 | 0 | 0 | 114.3 | I494 L697 | I494-P701 HydrophobicContact CD1-CB 4.47Å; L697-P701 VanDerWaalsContact O-CA 3.27Å; L697-P701 WeakPolarHBondContact O-CA 3.42Å; L697-P701 WeakPolarHBondContact O-CD 3.28Å; L697-P701 VanDerWaalsContact O-CG 3.31Å; L697-P701 WeakPolarHBondContact O-CG 3.28Å; L697-P701 VanDerWaalsContact O-N 3.11Å |
| 702 | K | 87.2 | Confident | 92.2 | Very high | 141 Ų | 141 | 32.9 Ų | 32.9 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.3 | -173.7 | -61.5 | -173.9 | 179 | -174.3 | 0 | 113 | D700 S704 | D700-K702 PolarHBondContact O-N 3.13Å; D700-K702 PolarHBondContact OD1-N 3.43Å; K702-S704 PolarHBondContact O-N 3.31Å; K702-S704 VanDerWaalsContact O-N 3.13Å |
| 703 | Q | 90.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | trans | -67.8 | 111 | -177.6 | -169.5 | -179.3 | 29.2 | 0 | 0 | 111.2 | S696 D700 T705 G706 L707 | S696-Q703 PolarHBondContact OG-OE1 2.94Å; D700-Q703 HydrophobicContact CB-CB 4.24Å; D700-Q703 PolarHBondContact O-N 3.01Å; Q703-T705 VanDerWaalsContact C-N 3.34Å; Q703-T705 PolarHBondContact O-N 3.44Å; Q703-G706 PolarHBondContact O-N 3.45Å; Q703-L707 WeakPolarHBondContact O-CG 3.08Å; Q703-L707 PolarHBondContact O-N 3.3Å | ||
| 704 | S | 90.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.3 | -44.4 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | K702 G706 L707 V708 | K702-S704 PolarHBondContact O-N 3.31Å; K702-S704 VanDerWaalsContact O-N 3.13Å; S704-G706 VanDerWaalsContact C-N 3.34Å; S704-G706 PolarHBondContact O-N 2.96Å; S704-L707 PolarHBondContact O-N 2.85Å; S704-V708 WeakPolarHBondContact O-CG2 3.35Å; S704-V708 PolarHBondContact O-N 3.05Å |
| 705 | T | 91.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 19% | 0.19 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 177.4 | -47.1 | 0 | 0 | 0 | 0 | 112.4 | L674 Q703 L709 F907 | L674-T705 HydrophobicContact CD1-CG2 3.95Å; Q703-T705 VanDerWaalsContact C-N 3.34Å; Q703-T705 PolarHBondContact O-N 3.44Å; T705-L709 HydrophobicContact CG2-CD1 3.94Å; T705-L709 HydrophobicContact CG2-CG 4.35Å; T705-L709 WeakPolarHBondContact O-CB 3.43Å; T705-L709 VanDerWaalsContact O-CG 3.25Å; T705-L709 WeakPolarHBondContact O-CG 3.24Å; T705-L709 PolarHBondContact O-N 3.39Å; T705-F907 HydrophobicContact CG2-CZ 4.37Å |
| 706 | G | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q703 S704 F710 | Q703-G706 PolarHBondContact O-N 3.45Å; S704-G706 VanDerWaalsContact C-N 3.34Å; S704-G706 PolarHBondContact O-N 2.96Å; G706-F710 WeakPolarHBondContact O-CB 3.19Å; G706-F710 PolarHBondContact O-N 3.11Å |
| 707 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 177.8 | -68 | 170.2 | 0 | 0 | 0 | 111 | V490 L697 Q703 S704 G711 F726 A729 A730 | V490-L707 HydrophobicContact CG1-CD2 4.08Å; L697-L707 HydrophobicContact CD1-CD2 4.23Å; L697-L707 HydrophobicContact CD2-CD2 3.74Å; L697-L707 HydrophobicContact CD2-CG 3.87Å; Q703-L707 WeakPolarHBondContact O-CG 3.08Å; Q703-L707 PolarHBondContact O-N 3.3Å; S704-L707 PolarHBondContact O-N 2.85Å; L707-G711 PolarHBondContact O-N 3.44Å; L707-F726 HydrophobicContact CD2-CD1 3.77Å; L707-F726 HydrophobicContact CD2-CE1 4.27Å; L707-A729 HydrophobicContact CD1-CB 4.15Å; L707-A729 HydrophobicContact CD2-CB 4.37Å; L707-A730 HydrophobicContact CB-CB 3.81Å |
| 708 | V | 96 | Very high | 92.3 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -51.3 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 112.1 | S704 F710 G711 L712 L727 A730 L740 I743 F907 | S704-V708 WeakPolarHBondContact O-CG2 3.35Å; S704-V708 PolarHBondContact O-N 3.05Å; V708-F710 VanDerWaalsContact C-N 3.27Å; V708-F710 PolarHBondContact O-N 2.84Å; V708-G711 PolarHBondContact O-N 3.43Å; V708-L712 HydrophobicContact CG1-CD1 3.65Å; V708-L712 HydrophobicContact CG1-CG 4.11Å; V708-L712 WeakPolarHBondContact O-CB 3.35Å; V708-L712 VanDerWaalsContact O-CG 3.29Å; V708-L712 WeakPolarHBondContact O-CG 3.29Å; V708-L712 PolarHBondContact O-N 3.27Å; V708-L727 HydrophobicContact CB-CD2 4.47Å; V708-L727 HydrophobicContact CG1-CD2 4.38Å; V708-L727 HydrophobicContact CG2-CD2 4.33Å; V708-A730 HydrophobicContact CG2-CB 3.54Å; V708-L740 HydrophobicContact CG2-CD2 3.52Å; V708-I743 HydrophobicContact CG1-CD1 3.86Å; V708-I743 HydrophobicContact CG1-CG2 3.98Å; V708-F907 HydrophobicContact CG1-CE1 4.5Å |
| 709 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | -177.1 | -70.2 | 176.4 | 0 | 0 | 0 | 111 | V678 F693 T705 V713 R911 | V678-L709 HydrophobicContact CG2-CD1 4.06Å; F693-L709 HydrophobicContact CD1-CB 4.11Å; F693-L709 HydrophobicContact CD1-CD1 4.46Å; F693-L709 HydrophobicContact CD2-CB 4.28Å; F693-L709 HydrophobicContact CE1-CB 3.86Å; F693-L709 HydrophobicContact CE1-CD1 3.72Å; F693-L709 HydrophobicContact CE1-CG 4.41Å; F693-L709 HydrophobicContact CE2-CB 4.05Å; F693-L709 HydrophobicContact CG-CB 4.33Å; F693-L709 HydrophobicContact CZ-CB 3.84Å; F693-L709 HydrophobicContact CZ-CD1 4.06Å; F693-L709 HydrophobicContact CZ-CG 4.44Å; T705-L709 HydrophobicContact CG2-CD1 3.94Å; T705-L709 HydrophobicContact CG2-CG 4.35Å; T705-L709 WeakPolarHBondContact O-CB 3.43Å; T705-L709 VanDerWaalsContact O-CG 3.25Å; T705-L709 WeakPolarHBondContact O-CG 3.24Å; T705-L709 PolarHBondContact O-N 3.39Å; L709-V713 VanDerWaalsContact O-CG2 3.3Å; L709-V713 WeakPolarHBondContact O-CG2 3.24Å; L709-V713 PolarHBondContact O-N 3.34Å; L709-R911 HydrophobicContact CD2-CB 3.96Å; L709-R911 HydrophobicContact CD2-CG 4.19Å |
| 710 | F | 94.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -45.7 | 176.6 | -163.3 | -153.4 | 0 | 0 | 0 | 112 | A690 F693 H694 L697 G706 V708 L712 V713 S714 F726 | A690-F710 HydrophobicContact CB-CD2 4.45Å; A690-F710 HydrophobicContact CB-CE2 3.86Å; F693-F710 HydrophobicContact CB-CB 3.87Å; F693-F710 HydrophobicContact CB-CD2 4.04Å; F693-F710 HydrophobicContact CB-CG 4.06Å; H694-F710 HydrophobicContact CB-CZ 4.38Å; L697-F710 HydrophobicContact CD1-CB 3.93Å; L697-F710 HydrophobicContact CD1-CD1 3.58Å; L697-F710 HydrophobicContact CD1-CG 4.16Å; G706-F710 WeakPolarHBondContact O-CB 3.19Å; G706-F710 PolarHBondContact O-N 3.11Å; V708-F710 VanDerWaalsContact C-N 3.27Å; V708-F710 PolarHBondContact O-N 2.84Å; F710-L712 VanDerWaalsContact C-N 3.33Å; F710-L712 PolarHBondContact O-N 2.96Å; F710-V713 PolarHBondContact O-N 3.04Å; F710-S714 PolarHBondContact O-N 3.06Å; F710-S714 PolarHBondContact O-OG 3.38Å; F710-F726 HydrophobicContact CD1-CD1 4.14Å; F710-F726 HydrophobicContact CD1-CD2 4.04Å; F710-F726 AromaticContact CD1-CE1 3.61Å; F710-F726 HydrophobicContact CD1-CE1 3.61Å; F710-F726 AromaticContact CD1-CE2 3.51Å; F710-F726 HydrophobicContact CD1-CE2 3.51Å; F710-F726 HydrophobicContact CD1-CG 4.35Å; F710-F726 AromaticContact CD1-CZ 3.3Å; F710-F726 HydrophobicContact CD1-CZ 3.3Å; F710-F726 HydrophobicContact CE1-CD2 4.41Å; F710-F726 HydrophobicContact CE1-CE1 4.05Å; F710-F726 AromaticContact CE1-CE2 3.49Å; F710-F726 HydrophobicContact CE1-CE2 3.49Å; F710-F726 VanDerWaalsContact CE1-CE2 3.49Å; F710-F726 AromaticContact CE1-CZ 3.29Å; F710-F726 HydrophobicContact CE1-CZ 3.29Å; F710-F726 HydrophobicContact CG-CE2 4.42Å; F710-F726 HydrophobicContact CG-CZ 4.5Å; F710-F726 HydrophobicContact CZ-CE2 4.36Å; F710-F726 HydrophobicContact CZ-CZ 4.47Å |
| 711 | G | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L707 V708 S714 A715 A723 | L707-G711 PolarHBondContact O-N 3.44Å; V708-G711 PolarHBondContact O-N 3.43Å; G711-S714 PolarHBondContact O-N 3.29Å; G711-A715 WeakPolarHBondContact O-CB 3.36Å; G711-A715 PolarHBondContact O-N 3.27Å; G711-A723 VanDerWaalsContact O-CB 3.26Å; G711-A723 WeakPolarHBondContact O-CB 3.25Å |
| 712 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 175.6 | -69.2 | 176 | 0 | 0 | 0 | 112.5 | V708 F710 A715 M716 L727 I743 L908 M913 F916 | V708-L712 HydrophobicContact CG1-CD1 3.65Å; V708-L712 HydrophobicContact CG1-CG 4.11Å; V708-L712 WeakPolarHBondContact O-CB 3.35Å; V708-L712 VanDerWaalsContact O-CG 3.29Å; V708-L712 WeakPolarHBondContact O-CG 3.29Å; V708-L712 PolarHBondContact O-N 3.27Å; F710-L712 VanDerWaalsContact C-N 3.33Å; F710-L712 PolarHBondContact O-N 2.96Å; L712-A715 WeakPolarHBondContact O-CB 3.24Å; L712-A715 PolarHBondContact O-N 2.91Å; L712-M716 WeakPolarHBondContact O-CG 3.41Å; L712-M716 PolarHBondContact O-N 3.4Å; L712-L727 HydrophobicContact CD2-CD2 4.47Å; L712-L727 HydrophobicContact CG-CD2 4.4Å; L712-I743 HydrophobicContact CD1-CG2 3.99Å; L712-I743 HydrophobicContact CD2-CG2 3.72Å; L712-I743 HydrophobicContact CG-CG2 4.12Å; L712-L908 HydrophobicContact CD1-CD2 3.64Å; L712-M913 HydrophobicContact CB-SD 4.11Å; L712-M913 HydrophobicContact CD1-CG 4.43Å; L712-M913 HydrophobicContact CD1-SD 4.37Å; L712-F916 HydrophobicContact CB-CE2 4.15Å; L712-F916 HydrophobicContact CD2-CD1 3.98Å; L712-F916 HydrophobicContact CD2-CD2 3.85Å; L712-F916 HydrophobicContact CD2-CE1 3.72Å; L712-F916 HydrophobicContact CD2-CE2 3.57Å; L712-F916 HydrophobicContact CD2-CG 4.04Å; L712-F916 HydrophobicContact CD2-CZ 3.51Å; L712-F916 HydrophobicContact CG-CE2 4.39Å |
| 713 | V | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | L681 L686 A690 F693 L709 F710 A715 M716 Q717 | L681-V713 HydrophobicContact CD1-CG2 4.28Å; L681-V713 HydrophobicContact CD2-CG2 3.45Å; L681-V713 VanDerWaalsContact CD2-CG2 3.45Å; L681-V713 HydrophobicContact CG-CG2 4.4Å; L686-V713 HydrophobicContact CB-CG1 4.32Å; A690-V713 HydrophobicContact CB-CG1 4.04Å; F693-V713 HydrophobicContact CD2-CG2 3.98Å; F693-V713 HydrophobicContact CE2-CG2 3.67Å; L709-V713 VanDerWaalsContact O-CG2 3.3Å; L709-V713 WeakPolarHBondContact O-CG2 3.24Å; L709-V713 PolarHBondContact O-N 3.34Å; F710-V713 PolarHBondContact O-N 3.04Å; V713-A715 VanDerWaalsContact C-N 3.25Å; V713-A715 PolarHBondContact O-N 3.42Å; V713-M716 WeakPolarHBondContact O-CB 3.29Å; V713-M716 PolarHBondContact O-N 2.68Å; V713-M716 VanDerWaalsContact O-N 3.11Å; V713-Q717 HydrophobicContact CG1-CG 4.5Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.99Å |
| 714 | S | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 174.7 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | F710 G711 Q717 N718 F719 E722 | F710-S714 PolarHBondContact O-N 3.06Å; F710-S714 PolarHBondContact O-OG 3.38Å; G711-S714 PolarHBondContact O-N 3.29Å; S714-Q717 CarbonylContact O-C 3.54Å; S714-Q717 PolarHBondContact O-N 3.48Å; S714-N718 PolarHBondContact O-N 3.48Å; S714-F719 PolarHBondContact O-N 3.31Å; S714-E722 PolarHBondContact OG-OE2 2.95Å |
| 715 | A | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G711 L712 V713 Q717 N718 A723 F747 F916 | G711-A715 WeakPolarHBondContact O-CB 3.36Å; G711-A715 PolarHBondContact O-N 3.27Å; L712-A715 WeakPolarHBondContact O-CB 3.24Å; L712-A715 PolarHBondContact O-N 2.91Å; V713-A715 VanDerWaalsContact C-N 3.25Å; V713-A715 PolarHBondContact O-N 3.42Å; A715-Q717 PolarHBondContact O-N 3.03Å; A715-N718 WeakPolarHBondContact O-CA 3.49Å; A715-N718 PolarHBondContact O-N 3.25Å; A715-A723 HydrophobicContact CB-CB 3.87Å; A715-F747 HydrophobicContact CB-CD2 3.64Å; A715-F747 HydrophobicContact CB-CE2 3.69Å; A715-F916 HydrophobicContact CB-CZ 4.05Å |
| 716 | M | 91.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 174.7 | -68.2 | 175.5 | 71 | 0 | 0 | 112.7 | L686 L712 V713 N718 M913 F916 | L686-M716 HydrophobicContact CD1-CB 3.99Å; L686-M716 HydrophobicContact CD1-CE 4.46Å; L686-M716 HydrophobicContact CD2-CE 3.86Å; L686-M716 HydrophobicContact CD2-SD 4.26Å; L712-M716 WeakPolarHBondContact O-CG 3.41Å; L712-M716 PolarHBondContact O-N 3.4Å; V713-M716 WeakPolarHBondContact O-CB 3.29Å; V713-M716 PolarHBondContact O-N 2.68Å; V713-M716 VanDerWaalsContact O-N 3.11Å; M716-N718 VanDerWaalsContact C-N 3.26Å; M716-M913 HydrophobicContact SD-CE 3.73Å; M716-M913 HydrophobicContact SD-SD 4.17Å; M716-F916 HydrophobicContact CG-CE2 3.99Å |
| 717 | Q | 91.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.2 | 173 | -67.8 | 178.9 | -5.4 | 0 | 0 | 113.4 | L686 V713 S714 A715 F719 | L686-Q717 HydrophobicContact CB-CG 4.16Å; L686-Q717 HydrophobicContact CD1-CG 4.15Å; L686-Q717 PolarHBondContact O-NE2 3.23Å; V713-Q717 HydrophobicContact CG1-CG 4.5Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.99Å; S714-Q717 CarbonylContact O-C 3.54Å; S714-Q717 PolarHBondContact O-N 3.48Å; A715-Q717 PolarHBondContact O-N 3.03Å; Q717-F719 VanDerWaalsContact C-N 3.31Å; Q717-F719 HydrophobicContact CB-CD2 3.68Å; Q717-F719 HydrophobicContact CB-CE2 3.85Å |
| 718 | N | 90.8 | Very high | 93.4 | Very high | 128 Ų | 128 | 33.1 Ų | 33.1 | 68% | 0.684 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 20.4 | -174.3 | -57.9 | -78.2 | 0 | 0 | 0 | 115.3 | S714 A715 M716 N720 | S714-N718 PolarHBondContact O-N 3.48Å; A715-N718 WeakPolarHBondContact O-CA 3.49Å; A715-N718 PolarHBondContact O-N 3.25Å; M716-N718 VanDerWaalsContact C-N 3.26Å; N718-N720 VanDerWaalsContact C-N 3.31Å; N718-N720 PolarHBondContact O-N 3.46Å; N718-N720 VanDerWaalsContact O-N 3.13Å |
| 719 | F | 92.4 | Very high | 93.3 | Very high | 113 Ų | 113 | 33 Ų | 33 | 50% | 0.496 | 16% | 0.163 | S | C | . | . | trans | -85.1 | 72.3 | 170.7 | -61.1 | -50.4 | 0 | 0 | 0 | 110.8 | S714 Q717 E721 E722 A723 | S714-F719 PolarHBondContact O-N 3.31Å; Q717-F719 VanDerWaalsContact C-N 3.31Å; Q717-F719 HydrophobicContact CB-CD2 3.68Å; Q717-F719 HydrophobicContact CB-CE2 3.85Å; F719-E721 PolarHBondContact O-N 3.13Å; F719-E722 HydrophobicContact CB-CB 4.21Å; F719-E722 PolarHBondContact O-N 3.1Å; F719-A723 VanDerWaalsContact O-CB 3.32Å; F719-A723 WeakPolarHBondContact O-CB 3.2Å; F719-A723 PolarHBondContact O-N 3.47Å | ||
| 720 | N | 93.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 33 Ų | 33 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | -171.6 | -65.3 | -22.8 | 0 | 0 | 0 | 114.2 | N718 T724 I751 | N718-N720 VanDerWaalsContact C-N 3.31Å; N718-N720 PolarHBondContact O-N 3.46Å; N718-N720 VanDerWaalsContact O-N 3.13Å; N720-T724 WeakPolarHBondContact O-CB 3.27Å; N720-T724 PolarHBondContact O-N 2.96Å; N720-T724 PolarHBondContact O-OG1 3.48Å; N720-I751 HydrophobicContact CB-CG2 4.17Å |
| 721 | E | 91.5 | Very high | 93.1 | Very high | 161 Ų | 161 | 32.8 Ų | 32.8 | 75% | 0.752 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -65.7 | -48.9 | 179.2 | -64.9 | -173.7 | 172.5 | 0 | 0 | 111 | F719 T724 D725 | F719-E721 PolarHBondContact O-N 3.13Å; E721-T724 WeakPolarHBondContact O-CB 3.41Å; E721-T724 PolarHBondContact O-N 3.43Å; E721-D725 PolarHBondContact O-N 3.26Å; E721-D725 VanDerWaalsContact O-N 3.1Å |
| 722 | E | 91.8 | Very high | 93 | Very high | 36 Ų | 36 | 35 Ų | 35 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 177 | -177.3 | -178.5 | -140.6 | 0 | 0 | 111.3 | Y493 S714 F719 T724 D725 F726 | Y493-E722 HydrophobicContact CD1-CG 4.15Å; Y493-E722 HydrophobicContact CE1-CB 4.25Å; Y493-E722 HydrophobicContact CE1-CG 4.04Å; Y493-E722 HydrophobicContact CE2-CG 4.41Å; Y493-E722 HydrophobicContact CG-CG 4.41Å; S714-E722 PolarHBondContact OG-OE2 2.95Å; F719-E722 HydrophobicContact CB-CB 4.21Å; F719-E722 PolarHBondContact O-N 3.1Å; E722-T724 VanDerWaalsContact C-N 3.32Å; E722-T724 PolarHBondContact O-N 3.21Å; E722-D725 PolarHBondContact O-N 3.39Å; E722-F726 HydrophobicContact CG-CD2 3.62Å; E722-F726 HydrophobicContact CG-CE2 3.4Å; E722-F726 VanDerWaalsContact CG-CE2 3.4Å; E722-F726 VanDerWaalsContact O-CD2 3.22Å; E722-F726 WeakPolarHBondContact O-CD2 3.39Å; E722-F726 PolarHBondContact O-N 2.92Å |
| 723 | A | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G711 A715 F719 F726 L727 F747 | G711-A723 VanDerWaalsContact O-CB 3.26Å; G711-A723 WeakPolarHBondContact O-CB 3.25Å; A715-A723 HydrophobicContact CB-CB 3.87Å; F719-A723 VanDerWaalsContact O-CB 3.32Å; F719-A723 WeakPolarHBondContact O-CB 3.2Å; F719-A723 PolarHBondContact O-N 3.47Å; A723-F726 PolarHBondContact O-N 2.94Å; A723-L727 WeakPolarHBondContact O-CB 3.25Å; A723-L727 VanDerWaalsContact O-CG 3.25Å; A723-L727 WeakPolarHBondContact O-CG 3.49Å; A723-L727 PolarHBondContact O-N 2.89Å; A723-F747 HydrophobicContact CB-CD2 4.3Å; A723-F747 HydrophobicContact CB-CE2 3.5Å; A723-F747 HydrophobicContact CB-CZ 3.69Å |
| 724 | T | 93.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | N720 E721 E722 F726 L727 E728 F747 Y748 | N720-T724 WeakPolarHBondContact O-CB 3.27Å; N720-T724 PolarHBondContact O-N 2.96Å; N720-T724 PolarHBondContact O-OG1 3.48Å; E721-T724 WeakPolarHBondContact O-CB 3.41Å; E721-T724 PolarHBondContact O-N 3.43Å; E722-T724 VanDerWaalsContact C-N 3.32Å; E722-T724 PolarHBondContact O-N 3.21Å; T724-F726 PolarHBondContact O-N 2.96Å; T724-L727 PolarHBondContact O-N 3.02Å; T724-E728 HydrophobicContact CG2-CG 4.21Å; T724-E728 VanDerWaalsContact O-CB 3.3Å; T724-E728 WeakPolarHBondContact O-CB 3.39Å; T724-E728 VanDerWaalsContact O-CG 3.3Å; T724-E728 WeakPolarHBondContact O-CG 3.42Å; T724-E728 PolarHBondContact O-N 3.38Å; T724-F747 VanDerWaalsContact OG1-CE1 3.3Å; T724-F747 WeakPolarHBondContact OG1-CE1 3.36Å; T724-F747 WeakPolarHBondContact OG1-CZ 3.07Å; T724-Y748 HydrophobicContact CG2-CE1 4.35Å |
| 725 | D | 92.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | -178 | -66.9 | -22.6 | 0 | 0 | 0 | 111.7 | R481 Y493 E721 E722 A729 | R481-D725 IonicContact CZ-OD1 3.45Å; R481-D725 IonicContact NH1-OD1 3.25Å; R481-D725 PolarHBondContact NH1-OD1 2.93Å; Y493-D725 HydrophobicContact CE2-CB 4.29Å; Y493-D725 PolarHBondContact OH-OD2 3.1Å; E721-D725 PolarHBondContact O-N 3.26Å; E721-D725 VanDerWaalsContact O-N 3.1Å; E722-D725 PolarHBondContact O-N 3.39Å; D725-A729 VanDerWaalsContact O-CB 3.29Å; D725-A729 WeakPolarHBondContact O-CB 3.45Å; D725-A729 PolarHBondContact O-N 3.07Å |
| 726 | F | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 178.2 | -80.3 | -64.7 | 0 | 0 | 0 | 113.6 | V490 Y493 L697 L707 F710 E722 A723 T724 A729 A730 | V490-F726 HydrophobicContact CB-CE1 4.47Å; V490-F726 HydrophobicContact CG1-CD1 4.25Å; V490-F726 HydrophobicContact CG1-CE1 3.77Å; V490-F726 HydrophobicContact CG2-CD1 4.19Å; V490-F726 HydrophobicContact CG2-CE1 4.3Å; Y493-F726 HydrophobicContact CD2-CE2 4.18Å; Y493-F726 HydrophobicContact CD2-CZ 4.2Å; Y493-F726 HydrophobicContact CG-CE2 4.27Å; Y493-F726 HydrophobicContact CG-CZ 4.27Å; L697-F726 HydrophobicContact CD1-CD1 4.37Å; L697-F726 HydrophobicContact CD1-CE1 3.94Å; L707-F726 HydrophobicContact CD2-CD1 3.77Å; L707-F726 HydrophobicContact CD2-CE1 4.27Å; F710-F726 HydrophobicContact CD1-CD1 4.14Å; F710-F726 HydrophobicContact CD1-CD2 4.04Å; F710-F726 AromaticContact CD1-CE1 3.61Å; F710-F726 HydrophobicContact CD1-CE1 3.61Å; F710-F726 AromaticContact CD1-CE2 3.51Å; F710-F726 HydrophobicContact CD1-CE2 3.51Å; F710-F726 HydrophobicContact CD1-CG 4.35Å; F710-F726 AromaticContact CD1-CZ 3.3Å; F710-F726 HydrophobicContact CD1-CZ 3.3Å; F710-F726 HydrophobicContact CE1-CD2 4.41Å; F710-F726 HydrophobicContact CE1-CE1 4.05Å; F710-F726 AromaticContact CE1-CE2 3.49Å; F710-F726 HydrophobicContact CE1-CE2 3.49Å; F710-F726 VanDerWaalsContact CE1-CE2 3.49Å; F710-F726 AromaticContact CE1-CZ 3.29Å; F710-F726 HydrophobicContact CE1-CZ 3.29Å; F710-F726 HydrophobicContact CG-CE2 4.42Å; F710-F726 HydrophobicContact CG-CZ 4.5Å; F710-F726 HydrophobicContact CZ-CE2 4.36Å; F710-F726 HydrophobicContact CZ-CZ 4.47Å; E722-F726 HydrophobicContact CG-CD2 3.62Å; E722-F726 HydrophobicContact CG-CE2 3.4Å; E722-F726 VanDerWaalsContact CG-CE2 3.4Å; E722-F726 VanDerWaalsContact O-CD2 3.22Å; E722-F726 WeakPolarHBondContact O-CD2 3.39Å; E722-F726 PolarHBondContact O-N 2.92Å; A723-F726 PolarHBondContact O-N 2.94Å; T724-F726 PolarHBondContact O-N 2.96Å; F726-A729 WeakPolarHBondContact O-CB 3.41Å; F726-A729 PolarHBondContact O-N 2.86Å; F726-A730 PolarHBondContact O-N 3.27Å |
| 727 | L | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.9 | -38.5 | 179.9 | -67.2 | 172.2 | 0 | 0 | 0 | 111.9 | V708 L712 A723 T724 A729 A730 V731 I743 L744 F747 | V708-L727 HydrophobicContact CB-CD2 4.47Å; V708-L727 HydrophobicContact CG1-CD2 4.38Å; V708-L727 HydrophobicContact CG2-CD2 4.33Å; L712-L727 HydrophobicContact CD2-CD2 4.47Å; L712-L727 HydrophobicContact CG-CD2 4.4Å; A723-L727 WeakPolarHBondContact O-CB 3.25Å; A723-L727 VanDerWaalsContact O-CG 3.25Å; A723-L727 WeakPolarHBondContact O-CG 3.49Å; A723-L727 PolarHBondContact O-N 2.89Å; T724-L727 PolarHBondContact O-N 3.02Å; L727-A729 VanDerWaalsContact C-N 3.31Å; L727-A729 PolarHBondContact O-N 2.89Å; L727-A730 PolarHBondContact O-N 2.9Å; L727-V731 PolarHBondContact O-N 3.39Å; L727-V731 VanDerWaalsContact O-N 3.12Å; L727-I743 HydrophobicContact CD2-CG2 4.08Å; L727-L744 HydrophobicContact CB-CD1 3.75Å; L727-F747 HydrophobicContact CD1-CB 3.44Å; L727-F747 VanDerWaalsContact CD1-CB 3.44Å; L727-F747 HydrophobicContact CD1-CD1 3.63Å; L727-F747 HydrophobicContact CD1-CD2 3.87Å; L727-F747 HydrophobicContact CD1-CE1 4.36Å; L727-F747 HydrophobicContact CD1-CG 3.33Å |
| 728 | E | 92.8 | Very high | 92 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 170.8 | -74.9 | -173 | 159.3 | 0 | 0 | 111.5 | R481 T724 S732 Y748 | R481-E728 WeakPolarHBondContact CD-OE2 3.38Å; R481-E728 IonicContact CZ-OE2 2.67Å; R481-E728 IonicContact NE-OE2 3.68Å; R481-E728 IonicContact NH1-OE2 3.82Å; R481-E728 PolarHBondContact NH1-OE2 2.94Å; T724-E728 HydrophobicContact CG2-CG 4.21Å; T724-E728 VanDerWaalsContact O-CB 3.3Å; T724-E728 WeakPolarHBondContact O-CB 3.39Å; T724-E728 VanDerWaalsContact O-CG 3.3Å; T724-E728 WeakPolarHBondContact O-CG 3.42Å; T724-E728 PolarHBondContact O-N 3.38Å; E728-S732 VanDerWaalsContact O-CB 3.29Å; E728-S732 WeakPolarHBondContact O-CB 3.29Å; E728-S732 PolarHBondContact O-N 3.37Å; E728-S732 PolarHBondContact O-OG 2.92Å; E728-Y748 PolarHBondContact OE1-OH 2.99Å; E728-Y748 VanDerWaalsContact OE1-OH 3.07Å |
| 729 | A | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I486 V490 L707 D725 F726 L727 V731 S732 H733 | I486-A729 HydrophobicContact CG2-CB 3.46Å; I486-A729 VanDerWaalsContact CG2-CB 3.46Å; V490-A729 HydrophobicContact CG2-CB 3.77Å; L707-A729 HydrophobicContact CD1-CB 4.15Å; L707-A729 HydrophobicContact CD2-CB 4.37Å; D725-A729 VanDerWaalsContact O-CB 3.29Å; D725-A729 WeakPolarHBondContact O-CB 3.45Å; D725-A729 PolarHBondContact O-N 3.07Å; F726-A729 WeakPolarHBondContact O-CB 3.41Å; F726-A729 PolarHBondContact O-N 2.86Å; L727-A729 VanDerWaalsContact C-N 3.31Å; L727-A729 PolarHBondContact O-N 2.89Å; A729-V731 VanDerWaalsContact C-N 3.35Å; A729-V731 PolarHBondContact O-N 3.47Å; A729-S732 PolarHBondContact O-N 3.03Å; A729-S732 VanDerWaalsContact O-N 3.11Å; A729-H733 PolarHBondContact O-CD2 2.99Å; A729-H733 PolarHBondContact O-N 2.77Å |
| 730 | A | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L707 V708 F726 L727 S732 H733 D734 | L707-A730 HydrophobicContact CB-CB 3.81Å; V708-A730 HydrophobicContact CG2-CB 3.54Å; F726-A730 PolarHBondContact O-N 3.27Å; L727-A730 PolarHBondContact O-N 2.9Å; A730-S732 VanDerWaalsContact C-N 3.31Å; A730-S732 PolarHBondContact O-N 3.04Å; A730-H733 PolarHBondContact O-N 3.32Å; A730-D734 PolarHBondContact O-N 3.2Å; A730-D734 VanDerWaalsContact O-N 3.09Å |
| 731 | V | 92.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | L727 A729 D734 P735 L740 W741 L744 | L727-V731 PolarHBondContact O-N 3.39Å; L727-V731 VanDerWaalsContact O-N 3.12Å; A729-V731 VanDerWaalsContact C-N 3.35Å; A729-V731 PolarHBondContact O-N 3.47Å; V731-D734 CarbonylContact O-C 3.56Å; V731-P735 WeakPolarHBondContact O-CA 3.3Å; V731-L740 HydrophobicContact CG2-CB 3.88Å; V731-W741 HydrophobicContact CG1-CD2 3.62Å; V731-W741 HydrophobicContact CG1-CE3 3.83Å; V731-W741 HydrophobicContact CG1-CG 4.39Å; V731-W741 HydrophobicContact CG1-CH2 3.49Å; V731-W741 VanDerWaalsContact CG1-CH2 3.49Å; V731-W741 HydrophobicContact CG1-CZ2 3.24Å; V731-W741 HydrophobicContact CG1-CZ3 3.77Å; V731-L744 HydrophobicContact CB-CD2 4.46Å; V731-L744 HydrophobicContact CG2-CB 4.15Å; V731-L744 HydrophobicContact CG2-CD2 3.94Å |
| 732 | S | 90.3 | Very high | 92.7 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 33% | 0.329 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -72.6 | -34.3 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | E728 A729 A730 | E728-S732 VanDerWaalsContact O-CB 3.29Å; E728-S732 WeakPolarHBondContact O-CB 3.29Å; E728-S732 PolarHBondContact O-N 3.37Å; E728-S732 PolarHBondContact O-OG 2.92Å; A729-S732 PolarHBondContact O-N 3.03Å; A729-S732 VanDerWaalsContact O-N 3.11Å; A730-S732 VanDerWaalsContact C-N 3.31Å; A730-S732 PolarHBondContact O-N 3.04Å |
| 733 | H | 90 | Very high | 92.9 | Very high | 47 Ų | 47 | 28 Ų | 28 | 22% | 0.218 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.4 | -35.5 | 176.1 | -76.8 | -64.8 | 0 | 0 | 0 | 112.8 | D487 A729 A730 P735 | D487-H733 IonicContact OD1-CD2 2.88Å; D487-H733 IonicContact OD1-CE1 2.89Å; D487-H733 PolarHBondContact OD1-CE1 3.08Å; D487-H733 VanDerWaalsContact OD1-CE1 3.29Å; D487-H733 IonicContact OD1-NE2 3.19Å; D487-H733 PolarHBondContact OD1-NE2 3.23Å; D487-H733 IonicContact OD2-CE1 2.65Å; D487-H733 IonicContact OD2-NE2 3.42Å; A729-H733 PolarHBondContact O-CD2 2.99Å; A729-H733 PolarHBondContact O-N 2.77Å; A730-H733 PolarHBondContact O-N 3.32Å; H733-P735 WeakPolarHBondContact O-CD 3.49Å |
| 734 | D | 90.4 | Very high | 93 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 26% | 0.262 | 15% | 0.146 | S | C | . | . | trans | -126.9 | 71.1 | 177.8 | -176.3 | 14.8 | 0 | 0 | 0 | 112 | A730 V731 K736 N737 L740 | A730-D734 PolarHBondContact O-N 3.2Å; A730-D734 VanDerWaalsContact O-N 3.09Å; V731-D734 CarbonylContact O-C 3.56Å; D734-K736 PolarHBondContact O-N 3Å; D734-N737 VanDerWaalsContact CG-CB 3.48Å; D734-N737 PolarHBondContact O-N 2.96Å; D734-N737 WeakPolarHBondContact OD2-CB 3.45Å; D734-N737 PolarHBondContact OD2-ND2 3.08Å; D734-N737 VanDerWaalsContact OD2-ND2 3.13Å; D734-L740 HydrophobicContact CB-CD1 3.64Å | ||
| 735 | P | 88.6 | Confident | 93.1 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 45% | 0.448 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13 | -172.7 | 28 | -36.2 | 0 | 0 | 0 | 114.3 | V731 H733 W741 L767 | V731-P735 WeakPolarHBondContact O-CA 3.3Å; H733-P735 WeakPolarHBondContact O-CD 3.49Å; P735-W741 PolarHBondContact O-NE1 2.89Å; P735-L767 WeakPolarHBondContact O-CD1 3.5Å |
| 736 | K | 88.6 | Confident | 93.3 | Very high | 171 Ų | 171 | 26.6 Ų | 26.6 | 74% | 0.743 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -7.3 | -178.4 | -68.2 | -173.1 | 178.3 | -175.1 | 0 | 113.1 | D734 P738 | D734-K736 PolarHBondContact O-N 3Å; K736-P738 WeakPolarHBondContact O-CD 3.44Å |
| 737 | N | 91.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | trans | -91.3 | 110.4 | -176.6 | -175.7 | -16.1 | 0 | 0 | 0 | 110.9 | D734 I739 L740 | D734-N737 VanDerWaalsContact CG-CB 3.48Å; D734-N737 PolarHBondContact O-N 2.96Å; D734-N737 WeakPolarHBondContact OD2-CB 3.45Å; D734-N737 PolarHBondContact OD2-ND2 3.08Å; D734-N737 VanDerWaalsContact OD2-ND2 3.13Å; N737-I739 VanDerWaalsContact C-N 3.27Å; N737-I739 PolarHBondContact O-N 3.37Å; N737-I739 WeakPolarHBondContact OD1-CB 3.29Å; N737-I739 PolarHBondContact OD1-N 2.95Å; N737-I739 VanDerWaalsContact OD1-N 3.15Å; N737-L740 HydrophobicContact CB-CD1 3.84Å; N737-L740 HydrophobicContact CB-CG 3.89Å; N737-L740 PolarHBondContact O-N 3.44Å | ||
| 738 | P | 92.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -24.7 | -174.7 | 30.9 | -37.1 | 0 | 0 | 0 | 112.6 | K736 L740 W741 V742 L767 L900 | K736-P738 WeakPolarHBondContact O-CD 3.44Å; P738-L740 VanDerWaalsContact C-N 3.31Å; P738-L740 PolarHBondContact O-N 3.2Å; P738-W741 PolarHBondContact O-N 3.44Å; P738-V742 PolarHBondContact O-N 3.29Å; P738-V742 VanDerWaalsContact O-N 3.09Å; P738-L767 HydrophobicContact CB-CB 4.08Å; P738-L900 HydrophobicContact CB-CD1 3.65Å; P738-L900 HydrophobicContact CG-CD1 3.94Å |
| 739 | I | 94.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 29.3 Ų | 29.3 | 16% | 0.164 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 178 | -61.5 | 174.4 | 0 | 0 | 0 | 110.2 | N737 W741 V742 I743 T904 F907 | N737-I739 VanDerWaalsContact C-N 3.27Å; N737-I739 PolarHBondContact O-N 3.37Å; N737-I739 WeakPolarHBondContact OD1-CB 3.29Å; N737-I739 PolarHBondContact OD1-N 2.95Å; N737-I739 VanDerWaalsContact OD1-N 3.15Å; I739-W741 VanDerWaalsContact C-N 3.3Å; I739-W741 PolarHBondContact O-N 3.27Å; I739-V742 PolarHBondContact O-N 3.25Å; I739-I743 HydrophobicContact CG2-CD1 3.86Å; I739-I743 HydrophobicContact CG2-CG1 4.36Å; I739-I743 VanDerWaalsContact O-CG1 3.29Å; I739-I743 WeakPolarHBondContact O-CG1 3.24Å; I739-I743 PolarHBondContact O-N 3Å; I739-T904 HydrophobicContact CG2-CG2 4.03Å; I739-F907 HydrophobicContact CG2-CB 4.32Å; I739-F907 HydrophobicContact CG2-CD1 4.08Å; I739-F907 HydrophobicContact CG2-CG 4.17Å |
| 740 | L | 95.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 179.9 | -54.5 | -178.4 | 0 | 0 | 0 | 111.7 | V708 V731 D734 N737 P738 I743 L744 | V708-L740 HydrophobicContact CG2-CD2 3.52Å; V731-L740 HydrophobicContact CG2-CB 3.88Å; D734-L740 HydrophobicContact CB-CD1 3.64Å; N737-L740 HydrophobicContact CB-CD1 3.84Å; N737-L740 HydrophobicContact CB-CG 3.89Å; N737-L740 PolarHBondContact O-N 3.44Å; P738-L740 VanDerWaalsContact C-N 3.31Å; P738-L740 PolarHBondContact O-N 3.2Å; L740-I743 PolarHBondContact O-N 2.91Å; L740-L744 WeakPolarHBondContact O-CB 3.47Å; L740-L744 PolarHBondContact O-N 3.44Å |
| 741 | W | 96.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 175.1 | -73.6 | 103.2 | 0 | 0 | 0 | 112.5 | V731 P735 P738 I739 L744 G745 M759 A760 E763 A764 L767 | V731-W741 HydrophobicContact CG1-CD2 3.62Å; V731-W741 HydrophobicContact CG1-CE3 3.83Å; V731-W741 HydrophobicContact CG1-CG 4.39Å; V731-W741 HydrophobicContact CG1-CH2 3.49Å; V731-W741 VanDerWaalsContact CG1-CH2 3.49Å; V731-W741 HydrophobicContact CG1-CZ2 3.24Å; V731-W741 HydrophobicContact CG1-CZ3 3.77Å; P735-W741 PolarHBondContact O-NE1 2.89Å; P738-W741 PolarHBondContact O-N 3.44Å; I739-W741 VanDerWaalsContact C-N 3.3Å; I739-W741 PolarHBondContact O-N 3.27Å; W741-L744 HydrophobicContact CE3-CD2 4.26Å; W741-L744 HydrophobicContact CZ3-CD2 4.29Å; W741-L744 PolarHBondContact O-N 3.01Å; W741-G745 PolarHBondContact O-N 3.24Å; W741-M759 HydrophobicContact CZ3-SD 3.8Å; W741-A760 HydrophobicContact CE3-CB 4.2Å; W741-A760 WeakPolarHBondContact O-CB 3.25Å; W741-E763 HydrophobicContact CD2-CB 3.86Å; W741-E763 HydrophobicContact CE3-CB 3.87Å; W741-E763 HydrophobicContact CE3-CG 4.5Å; W741-E763 HydrophobicContact CG-CB 4.39Å; W741-E763 HydrophobicContact CH2-CB 4.35Å; W741-E763 HydrophobicContact CH2-CG 4.27Å; W741-E763 HydrophobicContact CZ2-CB 4.36Å; W741-E763 HydrophobicContact CZ3-CB 4.12Å; W741-E763 HydrophobicContact CZ3-CG 4.25Å; W741-A764 HydrophobicContact CB-CB 3.58Å; W741-L767 HydrophobicContact CG-CD1 4.42Å |
| 742 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | P738 I739 L744 G745 L746 L761 A764 L900 F901 T904 | P738-V742 PolarHBondContact O-N 3.29Å; P738-V742 VanDerWaalsContact O-N 3.09Å; I739-V742 PolarHBondContact O-N 3.25Å; V742-L744 VanDerWaalsContact C-N 3.32Å; V742-L744 PolarHBondContact O-N 2.85Å; V742-G745 CarbonylContact O-C 3.48Å; V742-G745 WeakPolarHBondContact O-CA 3.3Å; V742-G745 PolarHBondContact O-N 3.09Å; V742-L746 HydrophobicContact CG1-CD1 4.13Å; V742-L746 HydrophobicContact CG1-CG 4.17Å; V742-L746 WeakPolarHBondContact O-CG 3.26Å; V742-L746 PolarHBondContact O-N 3.4Å; V742-L761 HydrophobicContact CG1-CD2 4.49Å; V742-A764 HydrophobicContact CG2-CB 3.8Å; V742-L900 HydrophobicContact CG2-CD1 4Å; V742-L900 HydrophobicContact CG2-CD2 3.65Å; V742-L900 HydrophobicContact CG2-CG 3.63Å; V742-F901 HydrophobicContact CG1-CD1 3.78Å; V742-F901 HydrophobicContact CG1-CE1 3.92Å; V742-F901 HydrophobicContact CG2-CE1 4.46Å; V742-T904 HydrophobicContact CB-CG2 4.02Å; V742-T904 HydrophobicContact CG1-CG2 3.7Å |
| 743 | I | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 179.4 | -67.8 | 173.3 | 0 | 0 | 0 | 111.2 | V708 L712 L727 I739 L740 G745 L746 F747 T904 F907 L908 | V708-I743 HydrophobicContact CG1-CD1 3.86Å; V708-I743 HydrophobicContact CG1-CG2 3.98Å; L712-I743 HydrophobicContact CD1-CG2 3.99Å; L712-I743 HydrophobicContact CD2-CG2 3.72Å; L712-I743 HydrophobicContact CG-CG2 4.12Å; L727-I743 HydrophobicContact CD2-CG2 4.08Å; I739-I743 HydrophobicContact CG2-CD1 3.86Å; I739-I743 HydrophobicContact CG2-CG1 4.36Å; I739-I743 VanDerWaalsContact O-CG1 3.29Å; I739-I743 WeakPolarHBondContact O-CG1 3.24Å; I739-I743 PolarHBondContact O-N 3Å; L740-I743 PolarHBondContact O-N 2.91Å; I743-G745 VanDerWaalsContact C-N 3.3Å; I743-G745 PolarHBondContact O-N 3.49Å; I743-L746 PolarHBondContact O-N 3.28Å; I743-F747 PolarHBondContact O-N 3.43Å; I743-T904 HydrophobicContact CD1-CG2 4.43Å; I743-T904 HydrophobicContact CG1-CG2 3.75Å; I743-F907 HydrophobicContact CD1-CD1 3.83Å; I743-F907 HydrophobicContact CD1-CE1 3.73Å; I743-L908 HydrophobicContact CD1-CD2 4.07Å; I743-L908 HydrophobicContact CG1-CD2 4.31Å |
| 744 | L | 95.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 173.8 | -178.9 | 64 | 0 | 0 | 0 | 111.6 | L727 V731 L740 W741 V742 F747 Y748 A760 | L727-L744 HydrophobicContact CB-CD1 3.75Å; V731-L744 HydrophobicContact CB-CD2 4.46Å; V731-L744 HydrophobicContact CG2-CB 4.15Å; V731-L744 HydrophobicContact CG2-CD2 3.94Å; L740-L744 WeakPolarHBondContact O-CB 3.47Å; L740-L744 PolarHBondContact O-N 3.44Å; W741-L744 HydrophobicContact CE3-CD2 4.26Å; W741-L744 HydrophobicContact CZ3-CD2 4.29Å; W741-L744 PolarHBondContact O-N 3.01Å; V742-L744 VanDerWaalsContact C-N 3.32Å; V742-L744 PolarHBondContact O-N 2.85Å; L744-F747 PolarHBondContact O-N 3.15Å; L744-Y748 HydrophobicContact CD1-CD2 4.19Å; L744-Y748 HydrophobicContact CD1-CE1 4.5Å; L744-Y748 HydrophobicContact CD1-CE2 3.67Å; L744-Y748 HydrophobicContact CD2-CE2 3.96Å; L744-Y748 HydrophobicContact CG-CD2 3.93Å; L744-Y748 HydrophobicContact CG-CE2 3.59Å; L744-Y748 WeakPolarHBondContact O-CD2 3.24Å; L744-Y748 PolarHBondContact O-N 2.67Å; L744-A760 HydrophobicContact CB-CB 4.46Å; L744-A760 HydrophobicContact CD2-CB 4.49Å; L744-A760 HydrophobicContact CG-CB 4.39Å |
| 745 | G | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W741 V742 I743 F747 Y748 E749 | W741-G745 PolarHBondContact O-N 3.24Å; V742-G745 CarbonylContact O-C 3.48Å; V742-G745 WeakPolarHBondContact O-CA 3.3Å; V742-G745 PolarHBondContact O-N 3.09Å; I743-G745 VanDerWaalsContact C-N 3.3Å; I743-G745 PolarHBondContact O-N 3.49Å; G745-F747 VanDerWaalsContact C-N 3.32Å; G745-F747 PolarHBondContact O-N 3.33Å; G745-Y748 PolarHBondContact O-N 2.94Å; G745-Y748 VanDerWaalsContact O-N 3.13Å; G745-E749 PolarHBondContact O-N 3.13Å |
| 746 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 177 | -61.5 | 176.7 | 0 | 0 | 0 | 111.7 | V742 I743 E749 T750 L908 F916 M919 A920 | V742-L746 HydrophobicContact CG1-CD1 4.13Å; V742-L746 HydrophobicContact CG1-CG 4.17Å; V742-L746 WeakPolarHBondContact O-CG 3.26Å; V742-L746 PolarHBondContact O-N 3.4Å; I743-L746 PolarHBondContact O-N 3.28Å; L746-E749 PolarHBondContact O-N 3.01Å; L746-T750 PolarHBondContact O-N 3.39Å; L746-T750 VanDerWaalsContact O-N 3.13Å; L746-T750 PolarHBondContact O-OG1 3.43Å; L746-L908 HydrophobicContact CD1-CD1 4.23Å; L746-F916 HydrophobicContact CB-CD1 4.18Å; L746-M919 HydrophobicContact CB-CE 4.44Å; L746-M919 HydrophobicContact CD2-CB 3.93Å; L746-M919 WeakPolarHBondContact O-CE 3.47Å; L746-A920 HydrophobicContact CD1-CB 3.85Å |
| 747 | F | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 171.3 | 169.4 | -104.7 | 0 | 0 | 0 | 111.7 | A715 A723 T724 L727 I743 L744 G745 E749 T750 I751 | A715-F747 HydrophobicContact CB-CD2 3.64Å; A715-F747 HydrophobicContact CB-CE2 3.69Å; A723-F747 HydrophobicContact CB-CD2 4.3Å; A723-F747 HydrophobicContact CB-CE2 3.5Å; A723-F747 HydrophobicContact CB-CZ 3.69Å; T724-F747 VanDerWaalsContact OG1-CE1 3.3Å; T724-F747 WeakPolarHBondContact OG1-CE1 3.36Å; T724-F747 WeakPolarHBondContact OG1-CZ 3.07Å; L727-F747 HydrophobicContact CD1-CB 3.44Å; L727-F747 VanDerWaalsContact CD1-CB 3.44Å; L727-F747 HydrophobicContact CD1-CD1 3.63Å; L727-F747 HydrophobicContact CD1-CD2 3.87Å; L727-F747 HydrophobicContact CD1-CE1 4.36Å; L727-F747 HydrophobicContact CD1-CG 3.33Å; I743-F747 PolarHBondContact O-N 3.43Å; L744-F747 PolarHBondContact O-N 3.15Å; G745-F747 VanDerWaalsContact C-N 3.32Å; G745-F747 PolarHBondContact O-N 3.33Å; F747-E749 VanDerWaalsContact C-N 3.25Å; F747-E749 PolarHBondContact O-N 2.93Å; F747-T750 WeakPolarHBondContact O-CA 3.41Å; F747-T750 VanDerWaalsContact O-CB 3.27Å; F747-T750 WeakPolarHBondContact O-CB 3.35Å; F747-T750 PolarHBondContact O-N 2.94Å; F747-I751 HydrophobicContact CE1-CD1 4.29Å; F747-I751 HydrophobicContact CE1-CG2 4.33Å; F747-I751 HydrophobicContact CE2-CG2 3.86Å; F747-I751 HydrophobicContact CZ-CG2 3.74Å; F747-I751 PolarHBondContact O-N 3.13Å; F747-I751 VanDerWaalsContact O-N 3.11Å |
| 748 | Y | 95.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -33.3 | 177.5 | -77.9 | -36.6 | 0 | 0 | 0 | 113.6 | T724 E728 L744 G745 I751 S752 N753 G756 M759 | T724-Y748 HydrophobicContact CG2-CE1 4.35Å; E728-Y748 PolarHBondContact OE1-OH 2.99Å; E728-Y748 VanDerWaalsContact OE1-OH 3.07Å; L744-Y748 HydrophobicContact CD1-CD2 4.19Å; L744-Y748 HydrophobicContact CD1-CE1 4.5Å; L744-Y748 HydrophobicContact CD1-CE2 3.67Å; L744-Y748 HydrophobicContact CD2-CE2 3.96Å; L744-Y748 HydrophobicContact CG-CD2 3.93Å; L744-Y748 HydrophobicContact CG-CE2 3.59Å; L744-Y748 WeakPolarHBondContact O-CD2 3.24Å; L744-Y748 PolarHBondContact O-N 2.67Å; G745-Y748 PolarHBondContact O-N 2.94Å; G745-Y748 VanDerWaalsContact O-N 3.13Å; Y748-I751 HydrophobicContact CD1-CD1 3.63Å; Y748-I751 HydrophobicContact CD1-CG1 4.09Å; Y748-I751 HydrophobicContact CE1-CD1 4.1Å; Y748-I751 CarbonylContact O-C 3.51Å; Y748-I751 VanDerWaalsContact O-CG1 3.28Å; Y748-I751 WeakPolarHBondContact O-CG1 3.22Å; Y748-I751 PolarHBondContact O-N 3.44Å; Y748-S752 PolarHBondContact O-N 3.07Å; Y748-N753 HydrophobicContact CD1-CB 4.15Å; Y748-N753 HydrophobicContact CG-CB 4.46Å; Y748-N753 PolarHBondContact O-N 3.35Å; Y748-G756 VanDerWaalsContact CD2-C 3.43Å; Y748-G756 WeakPolarHBondContact CD2-O 3.47Å; Y748-M759 HydrophobicContact CE2-CE 4.34Å |
| 749 | E | 94.7 | Very high | 93.4 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 172.1 | -175.6 | 177 | 172.6 | 0 | 0 | 111.6 | G745 L746 F747 I751 S752 V757 M919 H923 | G745-E749 PolarHBondContact O-N 3.13Å; L746-E749 PolarHBondContact O-N 3.01Å; F747-E749 VanDerWaalsContact C-N 3.25Å; F747-E749 PolarHBondContact O-N 2.93Å; E749-I751 VanDerWaalsContact C-N 3.28Å; E749-I751 PolarHBondContact O-N 2.91Å; E749-S752 WeakPolarHBondContact O-CA 3.37Å; E749-S752 PolarHBondContact O-N 3.38Å; E749-V757 HydrophobicContact CB-CG2 3.92Å; E749-V757 VanDerWaalsContact N-CG2 3.31Å; E749-M919 HydrophobicContact CB-CE 3.87Å; E749-M919 HydrophobicContact CG-CE 3.89Å; E749-H923 IonicContact OE1-NE2 3.31Å; E749-H923 IonicContact OE2-CD2 3.4Å; E749-H923 IonicContact OE2-CE1 3.94Å; E749-H923 IonicContact OE2-NE2 2.74Å; E749-H923 PolarHBondContact OE2-NE2 3.15Å |
| 750 | T | 92.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 44% | 0.436 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 176.1 | -53 | 0 | 0 | 0 | 0 | 111.6 | L746 F747 S752 | L746-T750 PolarHBondContact O-N 3.39Å; L746-T750 VanDerWaalsContact O-N 3.13Å; L746-T750 PolarHBondContact O-OG1 3.43Å; F747-T750 WeakPolarHBondContact O-CA 3.41Å; F747-T750 VanDerWaalsContact O-CB 3.27Å; F747-T750 WeakPolarHBondContact O-CB 3.35Å; F747-T750 PolarHBondContact O-N 2.94Å; T750-S752 VanDerWaalsContact C-N 3.32Å |
| 751 | I | 93.1 | Very high | 93.2 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 28% | 0.277 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2 | 174.9 | 71 | 164.3 | 0 | 0 | 0 | 113.8 | N720 F747 Y748 E749 N753 | N720-I751 HydrophobicContact CB-CG2 4.17Å; F747-I751 HydrophobicContact CE1-CD1 4.29Å; F747-I751 HydrophobicContact CE1-CG2 4.33Å; F747-I751 HydrophobicContact CE2-CG2 3.86Å; F747-I751 HydrophobicContact CZ-CG2 3.74Å; F747-I751 PolarHBondContact O-N 3.13Å; F747-I751 VanDerWaalsContact O-N 3.11Å; Y748-I751 HydrophobicContact CD1-CD1 3.63Å; Y748-I751 HydrophobicContact CD1-CG1 4.09Å; Y748-I751 HydrophobicContact CE1-CD1 4.1Å; Y748-I751 CarbonylContact O-C 3.51Å; Y748-I751 VanDerWaalsContact O-CG1 3.28Å; Y748-I751 WeakPolarHBondContact O-CG1 3.22Å; Y748-I751 PolarHBondContact O-N 3.44Å; E749-I751 VanDerWaalsContact C-N 3.28Å; E749-I751 PolarHBondContact O-N 2.91Å; I751-N753 VanDerWaalsContact C-N 3.33Å; I751-N753 HydrophobicContact CD1-CB 3.84Å; I751-N753 HydrophobicContact CG1-CB 3.82Å; I751-N753 PolarHBondContact O-N 3.03Å |
| 752 | S | 91.6 | Very high | 92.9 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 66% | 0.664 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.8 | -176.8 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | Y748 E749 T750 D754 | Y748-S752 PolarHBondContact O-N 3.07Å; E749-S752 WeakPolarHBondContact O-CA 3.37Å; E749-S752 PolarHBondContact O-N 3.38Å; T750-S752 VanDerWaalsContact C-N 3.32Å; S752-D754 PolarHBondContact O-N 3.29Å |
| 753 | N | 91.2 | Very high | 92.5 | Very high | 59 Ų | 59 | 35 Ų | 35 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | trans | -93.6 | 81.1 | 173.6 | 180 | 10 | 0 | 0 | 0 | 111.1 | Y748 I751 I755 G756 V757 | Y748-N753 HydrophobicContact CD1-CB 4.15Å; Y748-N753 HydrophobicContact CG-CB 4.46Å; Y748-N753 PolarHBondContact O-N 3.35Å; I751-N753 VanDerWaalsContact C-N 3.33Å; I751-N753 HydrophobicContact CD1-CB 3.84Å; I751-N753 HydrophobicContact CG1-CB 3.82Å; I751-N753 PolarHBondContact O-N 3.03Å; N753-I755 VanDerWaalsContact C-N 3.27Å; N753-I755 PolarHBondContact O-N 3.09Å; N753-G756 WeakPolarHBondContact O-CA 3.12Å; N753-G756 PolarHBondContact O-N 3.5Å; N753-G756 PolarHBondContact OD1-N 3.12Å; N753-V757 WeakPolarHBondContact O-CG2 3.2Å; N753-V757 PolarHBondContact O-N 3.48Å | ||
| 754 | D | 89.8 | Confident | 92.2 | Very high | 100 Ų | 100 | 35 Ų | 35 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.3 | -37.5 | -175.5 | -63.1 | -35.5 | 0 | 0 | 0 | 113.9 | S752 V757 D758 | S752-D754 PolarHBondContact O-N 3.29Å; D754-V757 PolarHBondContact O-N 2.95Å; D754-D758 PolarHBondContact O-N 3.4Å |
| 755 | I | 87.9 | Confident | 91.8 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 179.8 | -61.4 | 162.7 | 0 | 0 | 0 | 110 | T339 L342 Y343 N753 V757 D758 M759 | T339-I755 HydrophobicContact CG2-CG2 4.45Å; L342-I755 HydrophobicContact CB-CG2 3.9Å; L342-I755 HydrophobicContact CD1-CD1 3.75Å; L342-I755 HydrophobicContact CD1-CG1 4.4Å; Y343-I755 HydrophobicContact CD1-CG2 3.96Å; Y343-I755 HydrophobicContact CE1-CG2 4Å; N753-I755 VanDerWaalsContact C-N 3.27Å; N753-I755 PolarHBondContact O-N 3.09Å; I755-V757 VanDerWaalsContact C-N 3.35Å; I755-D758 PolarHBondContact O-N 3.11Å; I755-M759 WeakPolarHBondContact O-CB 3.34Å; I755-M759 PolarHBondContact O-N 2.9Å |
| 756 | G | 89.5 | Confident | 91.3 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y748 N753 M759 A760 | Y748-G756 VanDerWaalsContact CD2-C 3.43Å; Y748-G756 WeakPolarHBondContact CD2-O 3.47Å; N753-G756 WeakPolarHBondContact O-CA 3.12Å; N753-G756 PolarHBondContact O-N 3.5Å; N753-G756 PolarHBondContact OD1-N 3.12Å; G756-M759 PolarHBondContact O-N 3.42Å; G756-A760 VanDerWaalsContact O-CB 3.31Å; G756-A760 WeakPolarHBondContact O-CB 3.17Å; G756-A760 PolarHBondContact O-N 3.46Å |
| 757 | V | 92.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -52.7 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | E749 N753 D754 I755 M759 A760 L761 | E749-V757 HydrophobicContact CB-CG2 3.92Å; E749-V757 VanDerWaalsContact N-CG2 3.31Å; N753-V757 WeakPolarHBondContact O-CG2 3.2Å; N753-V757 PolarHBondContact O-N 3.48Å; D754-V757 PolarHBondContact O-N 2.95Å; I755-V757 VanDerWaalsContact C-N 3.35Å; V757-M759 VanDerWaalsContact C-N 3.28Å; V757-M759 PolarHBondContact O-N 3.46Å; V757-A760 PolarHBondContact O-N 2.91Å; V757-L761 HydrophobicContact CG1-CD1 3.66Å; V757-L761 HydrophobicContact CG1-CG 4.21Å; V757-L761 WeakPolarHBondContact O-CB 3.2Å; V757-L761 WeakPolarHBondContact O-CG 3.31Å; V757-L761 PolarHBondContact O-N 3.03Å |
| 758 | D | 90.2 | Very high | 90.2 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.5 | -45.3 | 179.7 | -75 | -28.3 | 0 | 0 | 0 | 110.4 | R303 D754 I755 N762 | R303-D758 IonicContact CZ-OD2 2.73Å; R303-D758 IonicContact NE-OD2 3.05Å; R303-D758 PolarHBondContact NE-OD2 2.76Å; R303-D758 IonicContact NH2-OD2 2.95Å; R303-D758 PolarHBondContact NH2-OD2 3.4Å; D754-D758 PolarHBondContact O-N 3.4Å; I755-D758 PolarHBondContact O-N 3.11Å; D758-N762 WeakPolarHBondContact O-CB 3.45Å; D758-N762 PolarHBondContact O-N 3.14Å; D758-N762 PolarHBondContact O-ND2 3.13Å |
| 759 | M | 91.1 | Very high | 89.3 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -57.1 | 177.2 | -175.5 | -117 | -56.8 | 0 | 0 | 112.1 | Y343 P344 W741 Y748 I755 G756 V757 L761 N762 E763 | Y343-M759 HydrophobicContact CD1-CB 3.55Å; Y343-M759 HydrophobicContact CD1-CG 3.82Å; Y343-M759 HydrophobicContact CD2-CB 4.09Å; Y343-M759 HydrophobicContact CD2-CG 3.75Å; Y343-M759 HydrophobicContact CE1-CB 3.52Å; Y343-M759 HydrophobicContact CE1-CG 4.21Å; Y343-M759 HydrophobicContact CE2-CB 4.08Å; Y343-M759 HydrophobicContact CE2-CG 4.16Å; Y343-M759 HydrophobicContact CG-CB 3.85Å; Y343-M759 HydrophobicContact CG-CG 3.58Å; Y343-M759 PolarHBondContact OH-N 2.97Å; P344-M759 HydrophobicContact CG-CE 4.35Å; W741-M759 HydrophobicContact CZ3-SD 3.8Å; Y748-M759 HydrophobicContact CE2-CE 4.34Å; I755-M759 WeakPolarHBondContact O-CB 3.34Å; I755-M759 PolarHBondContact O-N 2.9Å; G756-M759 PolarHBondContact O-N 3.42Å; V757-M759 VanDerWaalsContact C-N 3.28Å; V757-M759 PolarHBondContact O-N 3.46Å; M759-L761 PolarHBondContact O-N 2.83Å; M759-N762 PolarHBondContact O-N 3.18Å; M759-E763 WeakPolarHBondContact O-CB 3.38Å; M759-E763 WeakPolarHBondContact O-CG 3.49Å; M759-E763 PolarHBondContact O-N 2.84Å |
| 760 | A | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W741 L744 G756 V757 E763 A764 | W741-A760 HydrophobicContact CE3-CB 4.2Å; W741-A760 WeakPolarHBondContact O-CB 3.25Å; L744-A760 HydrophobicContact CB-CB 4.46Å; L744-A760 HydrophobicContact CD2-CB 4.49Å; L744-A760 HydrophobicContact CG-CB 4.39Å; G756-A760 VanDerWaalsContact O-CB 3.31Å; G756-A760 WeakPolarHBondContact O-CB 3.17Å; G756-A760 PolarHBondContact O-N 3.46Å; V757-A760 PolarHBondContact O-N 2.91Å; A760-E763 PolarHBondContact O-N 3.1Å; A760-A764 WeakPolarHBondContact O-CB 3.18Å; A760-A764 PolarHBondContact O-N 2.82Å |
| 761 | L | 92.9 | Very high | 86.4 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.4 | -33.8 | 178 | -63.7 | -177.2 | 0 | 0 | 0 | 113 | V742 V757 M759 R765 F901 | V742-L761 HydrophobicContact CG1-CD2 4.49Å; V757-L761 HydrophobicContact CG1-CD1 3.66Å; V757-L761 HydrophobicContact CG1-CG 4.21Å; V757-L761 WeakPolarHBondContact O-CB 3.2Å; V757-L761 WeakPolarHBondContact O-CG 3.31Å; V757-L761 PolarHBondContact O-N 3.03Å; M759-L761 PolarHBondContact O-N 2.83Å; L761-R765 WeakPolarHBondContact O-CG 3.4Å; L761-R765 PolarHBondContact O-N 3.1Å; L761-F901 HydrophobicContact CD2-CE1 3.92Å; L761-F901 HydrophobicContact CD2-CZ 4.26Å |
| 762 | N | 88.1 | Confident | 84.7 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 173.1 | -78 | -27.2 | 0 | 0 | 0 | 111.4 | Y343 D758 M759 R765 R766 | Y343-N762 PolarHBondContact OH-ND2 3.47Å; D758-N762 WeakPolarHBondContact O-CB 3.45Å; D758-N762 PolarHBondContact O-N 3.14Å; D758-N762 PolarHBondContact O-ND2 3.13Å; M759-N762 PolarHBondContact O-N 3.18Å; N762-R765 PolarHBondContact O-N 2.6Å; N762-R765 PolarHBondContact OD1-NH2 3.2Å; N762-R766 WeakPolarHBondContact O-CB 3.46Å; N762-R766 PolarHBondContact O-N 3.32Å |
| 763 | E | 88.6 | Confident | 83 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.7 | -75.6 | -69.3 | 150.2 | 0 | 0 | 111.6 | W741 M759 A760 R766 L767 | W741-E763 HydrophobicContact CD2-CB 3.86Å; W741-E763 HydrophobicContact CE3-CB 3.87Å; W741-E763 HydrophobicContact CE3-CG 4.5Å; W741-E763 HydrophobicContact CG-CB 4.39Å; W741-E763 HydrophobicContact CH2-CB 4.35Å; W741-E763 HydrophobicContact CH2-CG 4.27Å; W741-E763 HydrophobicContact CZ2-CB 4.36Å; W741-E763 HydrophobicContact CZ3-CB 4.12Å; W741-E763 HydrophobicContact CZ3-CG 4.25Å; M759-E763 WeakPolarHBondContact O-CB 3.38Å; M759-E763 WeakPolarHBondContact O-CG 3.49Å; M759-E763 PolarHBondContact O-N 2.84Å; A760-E763 PolarHBondContact O-N 3.1Å; E763-R766 PolarHBondContact O-N 3.39Å; E763-R766 IonicContact OE1-CZ 2.84Å; E763-R766 VanDerWaalsContact OE1-CZ 3.29Å; E763-R766 IonicContact OE1-NH1 3.67Å; E763-R766 PolarHBondContact OE1-NH1 3.23Å; E763-R766 IonicContact OE1-NH2 2.81Å; E763-R766 IonicContact OE2-CZ 3.86Å; E763-R766 IonicContact OE2-NE 3.7Å; E763-R766 IonicContact OE2-NH1 2.68Å; E763-R766 PolarHBondContact OE2-NH1 2.91Å; E763-R766 IonicContact OE2-NH2 3.82Å; E763-R766 PolarHBondContact OE2-NH2 3.19Å; E763-L767 WeakPolarHBondContact O-CG 2.95Å; E763-L767 PolarHBondContact O-N 2.84Å |
| 764 | A | 91.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W741 V742 A760 R766 L767 D768 L900 | W741-A764 HydrophobicContact CB-CB 3.58Å; V742-A764 HydrophobicContact CG2-CB 3.8Å; A760-A764 WeakPolarHBondContact O-CB 3.18Å; A760-A764 PolarHBondContact O-N 2.82Å; A764-R766 VanDerWaalsContact C-N 3.33Å; A764-R766 PolarHBondContact O-N 3.46Å; A764-L767 PolarHBondContact O-N 3.39Å; A764-D768 PolarHBondContact O-N 3.22Å; A764-D768 VanDerWaalsContact O-N 3.07Å; A764-L900 HydrophobicContact CB-CD2 3.76Å |
| 765 | R | 87.8 | Confident | 79.2 | Confident | 97 Ų | 97 | 53.2 Ų | 53.2 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.2 | -77.7 | -172.7 | -70.4 | -87.3 | 1 | 112 | L761 N762 L767 D768 E769 | L761-R765 WeakPolarHBondContact O-CG 3.4Å; L761-R765 PolarHBondContact O-N 3.1Å; N762-R765 PolarHBondContact O-N 2.6Å; N762-R765 PolarHBondContact OD1-NH2 3.2Å; R765-L767 PolarHBondContact O-N 2.99Å; R765-D768 PolarHBondContact O-N 3.04Å; R765-D768 VanDerWaalsContact O-N 3.16Å; R765-E769 WeakPolarHBondContact O-CG 3.33Å; R765-E769 PolarHBondContact O-N 3.42Å |
| 766 | R | 83.7 | Confident | 77.2 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.4 | -167.8 | -170.7 | 74.7 | -162.9 | -4.6 | 112.4 | N762 E763 A764 D768 G770 | N762-R766 WeakPolarHBondContact O-CB 3.46Å; N762-R766 PolarHBondContact O-N 3.32Å; E763-R766 PolarHBondContact O-N 3.39Å; E763-R766 IonicContact OE1-CZ 2.84Å; E763-R766 VanDerWaalsContact OE1-CZ 3.29Å; E763-R766 IonicContact OE1-NH1 3.67Å; E763-R766 PolarHBondContact OE1-NH1 3.23Å; E763-R766 IonicContact OE1-NH2 2.81Å; E763-R766 IonicContact OE2-CZ 3.86Å; E763-R766 IonicContact OE2-NE 3.7Å; E763-R766 IonicContact OE2-NH1 2.68Å; E763-R766 PolarHBondContact OE2-NH1 2.91Å; E763-R766 IonicContact OE2-NH2 3.82Å; E763-R766 PolarHBondContact OE2-NH2 3.19Å; A764-R766 VanDerWaalsContact C-N 3.33Å; A764-R766 PolarHBondContact O-N 3.46Å; R766-D768 VanDerWaalsContact C-N 3.31Å; R766-G770 PolarHBondContact O-N 3.4Å; R766-G770 VanDerWaalsContact O-N 3.1Å |
| 767 | L | 86 | Confident | 74.9 | Confident | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.3 | -71.4 | 172 | 0 | 0 | 0 | 111.1 | P735 P738 W741 E763 A764 R765 G770 D771 | P735-L767 WeakPolarHBondContact O-CD1 3.5Å; P738-L767 HydrophobicContact CB-CB 4.08Å; W741-L767 HydrophobicContact CG-CD1 4.42Å; E763-L767 WeakPolarHBondContact O-CG 2.95Å; E763-L767 PolarHBondContact O-N 2.84Å; A764-L767 PolarHBondContact O-N 3.39Å; R765-L767 PolarHBondContact O-N 2.99Å; L767-G770 PolarHBondContact O-N 3.21Å; L767-D771 PolarHBondContact O-N 3.04Å; L767-D771 VanDerWaalsContact O-N 3.13Å |
| 768 | D | 83.3 | Confident | 72 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | -179.4 | -152.6 | 40.4 | 0 | 0 | 0 | 112.9 | A764 R765 R766 G770 D771 E772 R897 L900 R903 | A764-D768 PolarHBondContact O-N 3.22Å; A764-D768 VanDerWaalsContact O-N 3.07Å; R765-D768 PolarHBondContact O-N 3.04Å; R765-D768 VanDerWaalsContact O-N 3.16Å; R766-D768 VanDerWaalsContact C-N 3.31Å; D768-G770 VanDerWaalsContact C-N 3.33Å; D768-G770 PolarHBondContact O-N 3.47Å; D768-D771 PolarHBondContact O-N 2.95Å; D768-E772 PolarHBondContact O-N 2.95Å; D768-R897 PolarHBondContact O-NH1 3.08Å; D768-R897 IonicContact OD1-CZ 3.14Å; D768-R897 IonicContact OD1-NE 3.64Å; D768-R897 IonicContact OD1-NH1 2.74Å; D768-R897 PolarHBondContact OD1-NH1 3.43Å; D768-R897 IonicContact OD1-NH2 2.85Å; D768-R897 PolarHBondContact OD1-NH2 3.09Å; D768-L900 HydrophobicContact CB-CD2 4.42Å; D768-R903 VanDerWaalsContact CG-NH2 3.26Å; D768-R903 IonicContact OD1-CZ 2.71Å; D768-R903 IonicContact OD1-NH1 3.91Å; D768-R903 IonicContact OD1-NH2 3.26Å; D768-R903 PolarHBondContact OD1-NH2 3.26Å; D768-R903 IonicContact OD2-NH2 3.93Å; D768-R903 PolarHBondContact OD2-NH2 2.89Å; D768-R903 VanDerWaalsContact OD2-NH2 3.12Å |
| 769 | E | 77 | Confident | 69.2 | Low | 87 Ų | 87 | 68.1 Ų | 68.1 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 174.1 | -71.9 | -178.8 | -168.2 | 0 | 0 | 112.4 | R765 E772 Q773 | R765-E769 WeakPolarHBondContact O-CG 3.33Å; R765-E769 PolarHBondContact O-N 3.42Å; E769-E772 PolarHBondContact O-N 2.83Å; E769-Q773 PolarHBondContact O-N 3.18Å |
| 770 | G | 67.4 | Low | 66.2 | Low | 28 Ų | 28 | 76.7 Ų | 76.7 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R766 L767 D768 E772 Q773 D774 | R766-G770 PolarHBondContact O-N 3.4Å; R766-G770 VanDerWaalsContact O-N 3.1Å; L767-G770 PolarHBondContact O-N 3.21Å; D768-G770 VanDerWaalsContact C-N 3.33Å; D768-G770 PolarHBondContact O-N 3.47Å; G770-E772 VanDerWaalsContact C-N 3.31Å; G770-E772 PolarHBondContact O-N 3.07Å; G770-Q773 PolarHBondContact O-N 3.41Å; G770-D774 PolarHBondContact O-N 3.12Å; G770-D774 VanDerWaalsContact O-N 3.12Å |
| 771 | D | 59.4 | Low | 63.2 | Low | 65 Ų | 65 | 82.2 Ų | 82.2 | 35% | 0.348 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 176.1 | -75.9 | -15.3 | 0 | 0 | 0 | 112.3 | L767 D768 D774 I775 R897 | L767-D771 PolarHBondContact O-N 3.04Å; L767-D771 VanDerWaalsContact O-N 3.13Å; D768-D771 PolarHBondContact O-N 2.95Å; D771-D774 PolarHBondContact O-N 2.85Å; D771-I775 WeakPolarHBondContact O-CD1 3.39Å; D771-I775 VanDerWaalsContact O-CG1 3.27Å; D771-I775 WeakPolarHBondContact O-CG1 3.13Å; D771-I775 PolarHBondContact O-N 3.25Å; D771-I775 VanDerWaalsContact O-N 3.14Å; D771-R897 VanDerWaalsContact CB-NH1 3.26Å; D771-R897 IonicContact OD2-CZ 2.68Å; D771-R897 IonicContact OD2-NH2 2.61Å; D771-R897 PolarHBondContact OD2-NH2 2.91Å |
| 772 | E | 57 | Low | 60.1 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.9 | -69 | -168.9 | 163.7 | 0 | 0 | 111.9 | D768 E769 G770 I775 V776 | D768-E772 PolarHBondContact O-N 2.95Å; E769-E772 PolarHBondContact O-N 2.83Å; G770-E772 VanDerWaalsContact C-N 3.31Å; G770-E772 PolarHBondContact O-N 3.07Å; E772-I775 PolarHBondContact O-N 3.15Å; E772-V776 VanDerWaalsContact O-CG2 3.28Å; E772-V776 WeakPolarHBondContact O-CG2 3.43Å; E772-V776 PolarHBondContact O-N 3.48Å |
| 773 | Q | 54.8 | Low | 57.1 | Low | 101 Ų | 101 | 91.9 Ų | 91.9 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 177.8 | -68.2 | 177.7 | 26.1 | 0 | 0 | 112.2 | E769 G770 I775 V776 N777 | E769-Q773 PolarHBondContact O-N 3.18Å; G770-Q773 PolarHBondContact O-N 3.41Å; Q773-I775 VanDerWaalsContact C-N 3.32Å; Q773-I775 PolarHBondContact O-N 3.02Å; Q773-V776 PolarHBondContact O-N 3.49Å; Q773-N777 VanDerWaalsContact O-CB 3.27Å; Q773-N777 WeakPolarHBondContact O-CB 3.5Å; Q773-N777 VanDerWaalsContact O-CG 3.28Å; Q773-N777 PolarHBondContact O-N 3.02Å; Q773-N777 PolarHBondContact O-ND2 2.67Å |
| 774 | D | 52.7 | Low | 54.2 | Low | 120 Ų | 120 | 97 Ų | 97 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -35.4 | 176.3 | -78 | -15.1 | 0 | 0 | 0 | 111.8 | G770 D771 S778 | G770-D774 PolarHBondContact O-N 3.12Å; G770-D774 VanDerWaalsContact O-N 3.12Å; D771-D774 PolarHBondContact O-N 2.85Å; D774-S778 PolarHBondContact O-N 3.07Å |
| 775 | I | 48.8 | Very low | 51.1 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 55% | 0.554 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.4 | -45.1 | 174.5 | -65.9 | 165.1 | 0 | 0 | 0 | 110.9 | D771 E772 Q773 N777 S778 | D771-I775 WeakPolarHBondContact O-CD1 3.39Å; D771-I775 VanDerWaalsContact O-CG1 3.27Å; D771-I775 WeakPolarHBondContact O-CG1 3.13Å; D771-I775 PolarHBondContact O-N 3.25Å; D771-I775 VanDerWaalsContact O-N 3.14Å; E772-I775 PolarHBondContact O-N 3.15Å; Q773-I775 VanDerWaalsContact C-N 3.32Å; Q773-I775 PolarHBondContact O-N 3.02Å; I775-N777 PolarHBondContact O-N 3.38Å; I775-S778 PolarHBondContact O-N 3.32Å; I775-S778 PolarHBondContact O-OG 3.44Å |
| 776 | V | 47 | Very low | 48.1 | Very low | 116 Ų | 116 | 107 Ų | 107 | 70% | 0.703 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -33.6 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | E772 Q773 | E772-V776 VanDerWaalsContact O-CG2 3.28Å; E772-V776 WeakPolarHBondContact O-CG2 3.43Å; E772-V776 PolarHBondContact O-N 3.48Å; Q773-V776 PolarHBondContact O-N 3.49Å |
| 777 | N | 40.2 | Very low | 45.1 | Very low | 119 Ų | 119 | 110.7 Ų | 110.7 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.6 | -2.9 | -179.1 | -67.8 | -37.4 | 0 | 0 | 0 | 114.2 | Q773 I775 | Q773-N777 VanDerWaalsContact O-CB 3.27Å; Q773-N777 WeakPolarHBondContact O-CB 3.5Å; Q773-N777 VanDerWaalsContact O-CG 3.28Å; Q773-N777 PolarHBondContact O-N 3.02Å; Q773-N777 PolarHBondContact O-ND2 2.67Å; I775-N777 PolarHBondContact O-N 3.38Å |
| 778 | S | 32.1 | Very low | 42.1 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -63.9 | 120.9 | 168.5 | 68 | 0 | 0 | 0 | 0 | 109.2 | D774 I775 K780 | D774-S778 PolarHBondContact O-N 3.07Å; I775-S778 PolarHBondContact O-N 3.32Å; I775-S778 PolarHBondContact O-OG 3.44Å; S778-K780 PolarHBondContact O-N 3.16Å |
| 779 | P | 32.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -65.5 | 131.7 | -165.6 | 23.5 | -31.5 | 0 | 0 | 0 | 110.2 | S781 | P779-S781 VanDerWaalsContact C-N 3.34Å; P779-S781 PolarHBondContact O-N 3.35Å | ||
| 780 | K | 28.8 | Very low | 36.8 | Very low | 202 Ų | 202 | 125.2 Ų | 125.2 | 88% | 0.878 | 68% | 0.684 | S | S | * | * | trans | -47.9 | 98.9 | 166 | -66.6 | 175.3 | -179.8 | 175.8 | 0 | 107.9 | S778 E782 | S778-K780 PolarHBondContact O-N 3.16Å; K780-E782 VanDerWaalsContact C-N 3.31Å; K780-E782 PolarHBondContact O-N 3.45Å | ||
| 781 | S | 29.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -65.9 | 100.3 | 170 | 50.9 | 0 | 0 | 0 | 0 | 106.5 | P779 S783 | P779-S781 VanDerWaalsContact C-N 3.34Å; P779-S781 PolarHBondContact O-N 3.35Å; S781-S783 PolarHBondContact O-N 2.97Å; S781-S783 VanDerWaalsContact O-N 3.16Å | ||
| 782 | E | 26.9 | Very low | 32.8 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -48.9 | 120.8 | 168.1 | -74.7 | 177 | 156.9 | 0 | 0 | 108.3 | K780 N784 | K780-E782 VanDerWaalsContact C-N 3.31Å; K780-E782 PolarHBondContact O-N 3.45Å; E782-N784 PolarHBondContact O-N 3.49Å | ||
| 783 | S | 24.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -36.3 | 103.5 | 161 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | S781 | S781-S783 PolarHBondContact O-N 2.97Å; S781-S783 VanDerWaalsContact O-N 3.16Å | ||
| 784 | N | 27.2 | Very low | 29.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -112.1 | 97.8 | 151 | -98.1 | -26.6 | 0 | 0 | 0 | 107 | E782 N786 | E782-N784 PolarHBondContact O-N 3.49Å; N784-N786 PolarHBondContact O-N 2.69Å | ||
| 785 | D | 25.6 | Very low | 27.9 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -47.1 | 99.5 | 165.7 | -71 | -43.1 | 0 | 0 | 0 | 110.3 | ||||
| 786 | N | 26.1 | Very low | 26.8 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -153.8 | 61.3 | 161.9 | -87.5 | -41.4 | 0 | 0 | 0 | 108.6 | N784 | N784-N786 PolarHBondContact O-N 2.69Š| ||
| 787 | L | 20.8 | Very low | 25.5 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -118.3 | 67.3 | 178.9 | -136.3 | 160.3 | 0 | 0 | 0 | 109.1 | ||||
| 788 | L | 22.3 | Very low | 24.5 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -145.8 | 123.2 | 166.2 | -93.9 | 171.5 | 0 | 0 | 0 | 111.1 | ||||
| 789 | I | 24.8 | Very low | 24.2 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | 81.9 | 90.4 | 158.8 | -49.7 | 159.9 | 0 | 0 | 0 | 116 | ||||
| 790 | N | 24.1 | Very low | 23.8 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -176.1 | 98.6 | 114.7 | -94.9 | -37.4 | 0 | 0 | 0 | 111 | |||||
| 791 | Q | 19.3 | Very low | 23.7 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -70.6 | 120.9 | 152.5 | -76.3 | -178.4 | -16.8 | 0 | 0 | 108.2 | ||||
| 792 | R | 23.9 | Very low | 23.3 | Very low | 246 Ų | 246 | 147.5 Ų | 147.5 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -161.8 | 131.2 | 145.3 | -107.5 | 170.4 | -159 | -139.9 | 5.9 | 111.2 | ||||
| 793 | Q | 21.7 | Very low | 23.3 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -59.4 | 138.6 | 174.1 | -60 | 157.8 | -22.8 | 0 | 0 | 111.5 | ||||
| 794 | S | 20.4 | Very low | 23.4 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | 179.3 | 114.1 | 132.3 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | N796 | S794-N796 PolarHBondContact O-N 2.98Š| ||
| 795 | S | 18.7 | Very low | 23.3 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -45.3 | 126.2 | 152.1 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 796 | N | 25.7 | Very low | 23.2 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -135.4 | 131.8 | 154.3 | -97.3 | -14.4 | 0 | 0 | 0 | 109.3 | S794 | S794-N796 PolarHBondContact O-N 2.98Š| ||
| 797 | V | 20.2 | Very low | 23.1 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 71% | 0.709 | 83% | 0.826 | S | S | * | * | trans | -101.8 | 140 | -172.2 | 160.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 798 | L | 20 | Very low | 23.2 | Very low | 164 Ų | 164 | 156 Ų | 156 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | 63.4 | 123.9 | 161 | -63.1 | 163.5 | 0 | 0 | 0 | 119.1 | ||||
| 799 | S | 24.3 | Very low | 23.3 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | 176.6 | 143 | 117.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 800 | D | 24.1 | Very low | 23.4 | Very low | 157 Ų | 157 | 158 Ų | 158 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | 72.7 | 109 | 149.2 | -78 | -13.1 | 0 | 0 | 0 | 121.9 | ||||
| 801 | G | 26.8 | Very low | 23.4 | Very low | 87 Ų | 87 | 159.2 Ų | 159.2 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | -156.8 | 52.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 802 | S | 21.4 | Very low | 23.7 | Very low | 102 Ų | 102 | 154.9 Ų | 154.9 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -110.1 | 110.7 | 165.2 | 71.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 803 | Q | 26.2 | Very low | 23.7 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -165.8 | 101.7 | 162.2 | -106.4 | 173.4 | 26.7 | 0 | 0 | 107.9 | ||||
| 804 | N | 27.7 | Very low | 23.9 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | -178.7 | 128.3 | 123.4 | -92.2 | -24.5 | 0 | 0 | 0 | 111.2 | |||||
| 805 | D | 25.6 | Very low | 23.9 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 143.8 | -167.9 | -66.8 | -56.7 | 0 | 0 | 0 | 114.8 | ||||
| 806 | E | 23.9 | Very low | 24.2 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | 17.7 | 112.3 | 131.1 | -61.1 | -174 | 161 | 0 | 0 | 118.6 | ||||
| 807 | R | 24.4 | Very low | 24 | Very low | 239 Ų | 239 | 153.8 Ų | 153.8 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -146.4 | 140.8 | 149.7 | -140.1 | 172.5 | 178.8 | 178.9 | -0.7 | 109.7 | ||||
| 808 | M | 22.2 | Very low | 24.4 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | 98 | 71.3 | 177.2 | -49.9 | -54.3 | -79.2 | 0 | 0 | 115.1 | ||||
| 809 | N | 23.9 | Very low | 24.5 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -89.9 | 148.4 | 165.1 | -143.2 | -17.7 | 0 | 0 | 0 | 109.2 | ||||
| 810 | K | 26.1 | Very low | 24.7 | Very low | 185 Ų | 185 | 159.1 Ų | 159.1 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | 71.8 | 100.2 | 164.1 | -67.3 | 176.5 | 173.8 | 174.2 | 0 | 119 | ||||
| 811 | L | 25 | Very low | 24.7 | Very low | 179 Ų | 179 | 159.9 Ų | 159.9 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | -122 | 149.6 | 129.9 | -113.2 | 103 | 0 | 0 | 0 | 110.5 | |||||
| 812 | S | 25.8 | Very low | 24.5 | Very low | 101 Ų | 101 | 163.3 Ų | 163.3 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | trans | -78.7 | 151.2 | -154.1 | 36.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 813 | K | 24.4 | Very low | 24.7 | Very low | 200 Ų | 200 | 166.5 Ų | 166.5 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | trans | -55.9 | 125.2 | 163.2 | -65.9 | 170.7 | 173.3 | 179.5 | 0 | 110.9 | ||||
| 814 | E | 24.5 | Very low | 24.6 | Very low | 188 Ų | 188 | 162.6 Ų | 162.6 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -120.7 | 128.7 | 153.5 | -84.6 | -177.2 | 164 | 0 | 0 | 108.7 | ||||
| 815 | S | 20.7 | Very low | 24.5 | Very low | 111 Ų | 111 | 161.2 Ų | 161.2 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -107.9 | 116 | -178.4 | -43.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 816 | T | 25.2 | Very low | 24.5 | Very low | 134 Ų | 134 | 160.5 Ų | 160.5 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -144.8 | 125.7 | 160.3 | 40.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 817 | N | 22.5 | Very low | 24.6 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -63.8 | 124.6 | 178.3 | -57.5 | -45.6 | 0 | 0 | 0 | 110.2 | ||||
| 818 | D | 27.3 | Very low | 24.5 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -124.3 | 109.3 | 156.4 | -83.6 | -36.8 | 0 | 0 | 0 | 108.1 | I820 | D818-I820 PolarHBondContact O-N 3.03Š| ||
| 819 | E | 22.9 | Very low | 24.6 | Very low | 193 Ų | 193 | 156.4 Ų | 156.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -66.8 | 110.1 | 173.9 | -66 | 173.6 | 153.3 | 0 | 0 | 108.9 | ||||
| 820 | I | 27.7 | Very low | 24.5 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -123 | 117.9 | 165.8 | -62 | -179.9 | 0 | 0 | 0 | 108.3 | D818 D822 | D818-I820 PolarHBondContact O-N 3.03Å; I820-D822 PolarHBondContact O-N 2.91Å | ||
| 821 | L | 23.7 | Very low | 24.5 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -61.1 | 108.9 | 175 | -67.1 | 153.5 | 0 | 0 | 0 | 109.6 | ||||
| 822 | D | 24.3 | Very low | 24.3 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -103.4 | 109.9 | 171.8 | -163.9 | 13.2 | 0 | 0 | 0 | 109.4 | I820 S824 | I820-D822 PolarHBondContact O-N 2.91Å; D822-S824 PolarHBondContact O-N 3.33Å | ||
| 823 | E | 23.8 | Very low | 24.2 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 101.3 | 174.2 | -77.8 | -174.2 | 153.2 | 0 | 0 | 109.9 | V825 | E823-V825 PolarHBondContact O-N 3.46Š| ||
| 824 | S | 24.1 | Very low | 24.3 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 22.7 | 91.6 | 143.4 | 62.8 | 0 | 0 | 0 | 0 | 117.7 | D822 | D822-S824 PolarHBondContact O-N 3.33Š| ||
| 825 | V | 25.9 | Very low | 24.3 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -115 | 94.6 | 150 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | E823 N827 | E823-V825 PolarHBondContact O-N 3.46Å; V825-N827 PolarHBondContact O-N 2.95Å | ||
| 826 | D | 25.6 | Very low | 24.5 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -58.1 | 94.6 | 177.2 | -77.6 | -40 | 0 | 0 | 0 | 111.6 | F828 | D826-F828 HydrophobicContact CB-CD2 4.33Å; D826-F828 HydrophobicContact CB-CE2 4.4Å | ||
| 827 | N | 25.9 | Very low | 24.4 | Very low | 150 Ų | 150 | 159.4 Ų | 159.4 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -100.4 | 86.5 | 169 | -118.9 | -13.6 | 0 | 0 | 0 | 109.1 | V825 K829 | V825-N827 PolarHBondContact O-N 2.95Å; N827-K829 PolarHBondContact O-N 3.45Å | ||
| 828 | F | 23.4 | Very low | 24.5 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -60.7 | 89.4 | 171 | -88.9 | -96.3 | 0 | 0 | 0 | 110.9 | D826 I830 | D826-F828 HydrophobicContact CB-CD2 4.33Å; D826-F828 HydrophobicContact CB-CE2 4.4Å; F828-I830 HydrophobicContact CD1-CD1 4.48Å; F828-I830 HydrophobicContact CD1-CG1 4.42Å; F828-I830 PolarHBondContact O-N 3.33Å | ||
| 829 | K | 23.7 | Very low | 24.5 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -82 | 92.7 | 159 | -87 | -178.1 | 174.3 | 176.2 | 0 | 108.4 | N827 T831 | N827-K829 PolarHBondContact O-N 3.45Å; K829-T831 PolarHBondContact O-N 3.37Å | ||
| 830 | I | 22.1 | Very low | 24.5 | Very low | 139 Ų | 139 | 158.7 Ų | 158.7 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -81.5 | 98.7 | 165.3 | -63.1 | 174.4 | 0 | 0 | 0 | 107.1 | F828 L832 | F828-I830 HydrophobicContact CD1-CD1 4.48Å; F828-I830 HydrophobicContact CD1-CG1 4.42Å; F828-I830 PolarHBondContact O-N 3.33Å; I830-L832 PolarHBondContact O-N 2.86Å | ||
| 831 | T | 25.3 | Very low | 24.2 | Very low | 129 Ų | 129 | 162.7 Ų | 162.7 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -65.6 | 109.6 | 164.8 | 22.3 | 0 | 0 | 0 | 0 | 109.5 | K829 N833 | K829-T831 PolarHBondContact O-N 3.37Å; T831-N833 PolarHBondContact O-N 3.22Å | ||
| 832 | L | 21.8 | Very low | 24.2 | Very low | 169 Ų | 169 | 160.2 Ų | 160.2 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -74.8 | 93.5 | 165 | -88 | 155.6 | 0 | 0 | 0 | 108.7 | I830 | I830-L832 PolarHBondContact O-N 2.86Š| ||
| 833 | N | 23.8 | Very low | 24.3 | Very low | 150 Ų | 150 | 159 Ų | 159 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -148.5 | 142.9 | 157.5 | -96.2 | -14.8 | 0 | 0 | 0 | 106.8 | T831 | T831-N833 PolarHBondContact O-N 3.22Š| ||
| 834 | E | 26.7 | Very low | 24.2 | Very low | 184 Ų | 184 | 158.4 Ų | 158.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 87.1 | 71.6 | 174.3 | -52.4 | -171.3 | 153.5 | 0 | 0 | 117.8 | ||||
| 835 | L | 24.5 | Very low | 24.4 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | trans | -142.8 | 73.1 | 147.1 | -80.1 | 177.1 | 0 | 0 | 0 | 108.8 | ||||
| 836 | D | 24.1 | Very low | 24.3 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -144.2 | 51.3 | 172.7 | -119.1 | -1.7 | 0 | 0 | 0 | 110.1 | ||||
| 837 | K | 24.1 | Very low | 24.3 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -153.5 | 86.8 | 167.8 | -72.7 | -169 | -178.4 | 169.2 | 0 | 109.6 | ||||
| 838 | E | 24.4 | Very low | 24.3 | Very low | 196 Ų | 196 | 158.3 Ų | 158.3 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -164.2 | 142.6 | 146.3 | -113 | 169 | -159.5 | 0 | 0 | 113.2 | ||||
| 839 | S | 26.1 | Very low | 24.4 | Very low | 108 Ų | 108 | 158.1 Ų | 158.1 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | 73.5 | 65.2 | 166.6 | 87.3 | 0 | 0 | 0 | 0 | 119.7 | R841 | S839-R841 PolarHBondContact O-N 3.19Š| ||
| 840 | N | 22.5 | Very low | 24.4 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 96% | 0.957 | 83% | 0.832 | S | S | * | * | trans | -74.8 | 97.4 | 136.3 | -94 | -24.9 | 0 | 0 | 0 | 108.2 | ||||
| 841 | R | 22.2 | Very low | 24.7 | Very low | 239 Ų | 239 | 158.4 Ų | 158.4 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -150 | 84.5 | 170.8 | -146.3 | -177.6 | -165.5 | -171.3 | 4.8 | 110.1 | S839 | S839-R841 PolarHBondContact O-N 3.19Š| ||
| 842 | S | 24.8 | Very low | 24.6 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -140.7 | 98.3 | 162.4 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 843 | T | 24.5 | Very low | 24.9 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | -10.7 | 129 | 159.1 | -29.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 844 | I | 23.2 | Very low | 24.9 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | -43.4 | 119.9 | 162.6 | -60.7 | 159.5 | 0 | 0 | 0 | 112.2 | ||||
| 845 | I | 28.6 | Very low | 24.9 | Very low | 160 Ų | 160 | 160 Ų | 160 | 82% | 0.821 | 84% | 0.836 | S | S | * | * | trans | -124.5 | 105.8 | 146.3 | -63.1 | 178.9 | 0 | 0 | 0 | 105.1 | ||||
| 846 | G | 23.4 | Very low | 25.1 | Very low | 58 Ų | 58 | 157.4 Ų | 157.4 | 60% | 0.598 | 83% | 0.828 | S | S | * | * | trans | -81.9 | 127.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 847 | D | 26.1 | Very low | 25.2 | Very low | 161 Ų | 161 | 157 Ų | 157 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -133.5 | 136.3 | 152 | -102.8 | -27.2 | 0 | 0 | 0 | 108.6 | ||||
| 848 | T | 23.9 | Very low | 25.2 | Very low | 132 Ų | 132 | 156 Ų | 156 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -111.1 | 96.9 | -158 | -40.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 849 | I | 27 | Very low | 25.2 | Very low | 169 Ų | 169 | 153 Ų | 153 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -137 | 106.9 | 163.9 | -66.1 | 168.3 | 0 | 0 | 0 | 108.6 | ||||
| 850 | K | 23.4 | Very low | 25.1 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -74 | 136.3 | 156.6 | -80.1 | 177.3 | 168.9 | -178.9 | 0 | 107.8 | ||||
| 851 | D | 27.2 | Very low | 25.1 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | -178.6 | 143.8 | 120.6 | -87.2 | -17.5 | 0 | 0 | 0 | 111.1 | |||||
| 852 | D | 23.6 | Very low | 25 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -56.6 | 147.3 | -175.4 | -61.8 | -55.9 | 0 | 0 | 0 | 114.6 | ||||
| 853 | V | 28.9 | Very low | 24.9 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | -172.2 | 113.1 | 125.2 | 166.5 | 0 | 0 | 0 | 0 | 108.6 | R855 | V853-R855 PolarHBondContact O-N 2.94Š| |||
| 854 | D | 24.2 | Very low | 24.9 | Very low | 153 Ų | 153 | 158.4 Ų | 158.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -55.3 | 122.7 | 165 | -81.7 | -47.8 | 0 | 0 | 0 | 112 | ||||
| 855 | R | 27.1 | Very low | 24.8 | Very low | 230 Ų | 230 | 162.3 Ų | 162.3 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -128.1 | 89.7 | 157.3 | -85 | -172.2 | 176.5 | -179 | 0.5 | 109.3 | V853 N857 | V853-R855 PolarHBondContact O-N 2.94Å; R855-N857 PolarHBondContact O-N 3.33Å | ||
| 856 | T | 27.5 | Very low | 24.6 | Very low | 123 Ų | 123 | 165.4 Ų | 165.4 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -69.7 | 102.8 | 167.1 | 41.2 | 0 | 0 | 0 | 0 | 109.6 | E858 | T856-E858 PolarHBondContact O-N 3.47Š| ||
| 857 | N | 25.9 | Very low | 24.7 | Very low | 154 Ų | 154 | 168.2 Ų | 168.2 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | trans | -82.4 | 104.5 | 168.6 | -90.7 | -23.6 | 0 | 0 | 0 | 109.3 | R855 V859 | R855-N857 PolarHBondContact O-N 3.33Å; N857-V859 PolarHBondContact O-N 2.99Å | ||
| 858 | E | 24.1 | Very low | 24.6 | Very low | 179 Ų | 179 | 170.2 Ų | 170.2 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -63.5 | 116.4 | 174.1 | -70.2 | -178.4 | 148.1 | 0 | 0 | 111.9 | T856 K860 | T856-E858 PolarHBondContact O-N 3.47Å; E858-K860 PolarHBondContact O-N 3.48Å | ||
| 859 | V | 25.2 | Very low | 24.6 | Very low | 133 Ų | 133 | 168.2 Ų | 168.2 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | trans | -81.6 | 108.4 | 170.3 | 176.4 | 0 | 0 | 0 | 0 | 109 | N857 T861 | N857-V859 PolarHBondContact O-N 2.99Å; V859-T861 PolarHBondContact O-N 3.49Å | ||
| 860 | K | 23.3 | Very low | 24.6 | Very low | 197 Ų | 197 | 165.9 Ų | 165.9 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -68 | 103.6 | 179.9 | -70.6 | 175.7 | 177.6 | 173.2 | 0 | 111.6 | E858 | E858-K860 PolarHBondContact O-N 3.48Š| ||
| 861 | T | 22.7 | Very low | 24.6 | Very low | 121 Ų | 121 | 167.4 Ų | 167.4 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -83.7 | 113.3 | 165.3 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | V859 K863 | V859-T861 PolarHBondContact O-N 3.49Å; T861-K863 PolarHBondContact O-N 3.31Å | ||
| 862 | R | 20.6 | Very low | 24.6 | Very low | 254 Ų | 254 | 164.8 Ų | 164.8 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -65.4 | 100.3 | 174.5 | -90.2 | 176.7 | 166.4 | 166.6 | -5.2 | 109.6 | ||||
| 863 | K | 23.2 | Very low | 24.6 | Very low | 188 Ų | 188 | 161.4 Ų | 161.4 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -79.9 | 120.6 | 163.8 | -76.7 | -176.6 | 176.4 | 178.6 | 0 | 109.7 | T861 R865 | T861-K863 PolarHBondContact O-N 3.31Å; K863-R865 PolarHBondContact O-N 2.93Å | ||
| 864 | T | 23.4 | Very low | 24.6 | Very low | 134 Ų | 134 | 160.9 Ų | 160.9 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -58.6 | 124.8 | 171 | 36.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 865 | R | 21.8 | Very low | 24.5 | Very low | 239 Ų | 239 | 163.7 Ų | 163.7 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -89.2 | 111.4 | 180 | -67.3 | 179.6 | -162.3 | 169 | 4.8 | 108.9 | K863 S867 | K863-R865 PolarHBondContact O-N 2.93Å; R865-S867 PolarHBondContact O-N 3.17Å | ||
| 866 | Y | 23.9 | Very low | 24.4 | Very low | 226 Ų | 226 | 159.3 Ų | 159.3 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | -67.2 | 110.4 | 152 | -84.4 | -88.5 | 0 | 0 | 0 | 107.7 | ||||
| 867 | S | 25.5 | Very low | 24.2 | Very low | 117 Ų | 117 | 158.3 Ų | 158.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.6 | 174.8 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | R865 | R865-S867 PolarHBondContact O-N 3.17Š|
| 868 | K | 24.7 | Very low | 24.2 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.4 | 173.8 | -73.9 | 174.4 | 172.9 | 175.4 | 0 | 109.6 | ||
| 869 | A | 23.5 | Very low | 24.2 | Very low | 89 Ų | 89 | 155 Ų | 155 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K871 | A869-K871 PolarHBondContact O-N 3.2Š|
| 870 | P | 27.2 | Very low | 24.2 | Very low | 121 Ų | 121 | 155.6 Ų | 155.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.8 | -176.8 | 21.1 | -14.1 | 0 | 0 | 0 | 111.2 | S872 | P870-S872 PolarHBondContact O-N 3.22Š|
| 871 | K | 23.6 | Very low | 24.4 | Very low | 217 Ų | 217 | 151.6 Ų | 151.6 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 93.7 | 166.2 | -69.4 | -177.7 | 176.9 | -176.9 | 0 | 108.9 | A869 | A869-K871 PolarHBondContact O-N 3.2Š| ||
| 872 | S | 27.2 | Very low | 24.4 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -117.4 | 97.2 | 160 | 60.5 | 0 | 0 | 0 | 0 | 108.5 | P870 T874 | P870-S872 PolarHBondContact O-N 3.22Å; S872-T874 PolarHBondContact O-N 2.7Å | ||
| 873 | G | 24 | Very low | 24.6 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -74.2 | 111.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 874 | T | 27 | Very low | 24.7 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | trans | -112.1 | 102.2 | 163.4 | -36.4 | 0 | 0 | 0 | 0 | 106.4 | S872 I876 | S872-T874 PolarHBondContact O-N 2.7Å; T874-I876 PolarHBondContact O-N 2.94Å | ||
| 875 | K | 23.3 | Very low | 24.9 | Very low | 211 Ų | 211 | 145 Ų | 145 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 107.7 | 174.6 | -74.1 | 178.4 | 173.5 | -178.3 | 0 | 108.5 | ||||
| 876 | I | 25.6 | Very low | 25 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -117.2 | 110.5 | 159.6 | -63.3 | 176.1 | 0 | 0 | 0 | 105.9 | T874 T878 | T874-I876 PolarHBondContact O-N 2.94Å; I876-T878 HydrophobicContact CG2-CG2 4.36Å | ||
| 877 | S | 21.5 | Very low | 25.2 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 111.9 | 175.2 | -149.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 878 | T | 26.7 | Very low | 25.1 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | trans | -129.3 | 92.6 | 161 | 49.3 | 0 | 0 | 0 | 0 | 106.8 | I876 I880 | I876-T878 HydrophobicContact CG2-CG2 4.36Å; T878-I880 PolarHBondContact O-N 2.78Å; T878-I880 VanDerWaalsContact O-N 3.16Å | ||
| 879 | D | 23.7 | Very low | 25.1 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -61.6 | 105.5 | 166.5 | -66.4 | -54.3 | 0 | 0 | 0 | 108.2 | ||||
| 880 | I | 26.9 | Very low | 25.2 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -121 | 116.2 | 159.9 | -59 | 177.5 | 0 | 0 | 0 | 105.6 | T878 C882 | T878-I880 PolarHBondContact O-N 2.78Å; T878-I880 VanDerWaalsContact O-N 3.16Å; I880-C882 PolarHBondContact O-N 3.29Å | ||
| 881 | P | 26.4 | Very low | 25.1 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 124 | -177 | -6.9 | 21.7 | 0 | 0 | 0 | 109.8 | E883 | P881-E883 PolarHBondContact O-N 2.76Å; P881-E883 VanDerWaalsContact O-N 3.09Å | ||
| 882 | C | 23.1 | Very low | 25.2 | Very low | 134 Ų | 134 | 128 Ų | 128 | 91% | 0.905 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 105.3 | 163.9 | -95.3 | 0 | 0 | 0 | 0 | 108.6 | I880 S884 | I880-C882 PolarHBondContact O-N 3.29Å; C882-S884 PolarHBondContact O-N 3.09Å | ||
| 883 | E | 25.5 | Very low | 25.2 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 127.1 | 159.3 | -76.7 | -180 | 158.2 | 0 | 0 | 108.7 | P881 T885 | P881-E883 PolarHBondContact O-N 2.76Å; P881-E883 VanDerWaalsContact O-N 3.09Å; E883-T885 PolarHBondContact O-N 3.06Å | ||
| 884 | S | 24.6 | Very low | 25.3 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -56.5 | 104.1 | 175.2 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | C882 L886 | C882-S884 PolarHBondContact O-N 3.09Å; S884-L886 PolarHBondContact O-N 3.37Å; S884-L886 VanDerWaalsContact O-N 3.1Å | ||
| 885 | T | 26.4 | Very low | 25.9 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 110.2 | 165.3 | -13.6 | 0 | 0 | 0 | 0 | 107.6 | E883 V887 | E883-T885 PolarHBondContact O-N 3.06Å; T885-V887 PolarHBondContact O-N 2.83Å | ||
| 886 | L | 25.8 | Very low | 27.3 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -50.8 | 108.8 | 168.9 | -79.2 | 152.5 | 0 | 0 | 0 | 108.2 | S884 A888 | S884-L886 PolarHBondContact O-N 3.37Å; S884-L886 VanDerWaalsContact O-N 3.1Å; L886-A888 PolarHBondContact O-N 3.3Å | ||
| 887 | V | 27.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | -65.7 | 93 | 165.4 | 178.9 | 0 | 0 | 0 | 0 | 105.4 | T885 S889 | T885-V887 PolarHBondContact O-N 2.83Å; V887-S889 PolarHBondContact O-N 2.88Å | ||
| 888 | A | 24.2 | Very low | 31.7 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | trans | -57.5 | 112.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | L886 T890 | L886-A888 PolarHBondContact O-N 3.3Å; A888-T890 PolarHBondContact O-N 3.29Å | ||
| 889 | S | 22.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | -63.8 | 83.7 | 170.7 | 56.6 | 0 | 0 | 0 | 0 | 107.9 | V887 V891 | V887-S889 PolarHBondContact O-N 2.88Å; S889-V891 PolarHBondContact O-N 3.02Å; S889-V891 VanDerWaalsContact O-N 3.1Å | ||
| 890 | T | 25.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 109.9 Ų | 109.9 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | trans | -66.5 | 110 | 165.8 | 48.3 | 0 | 0 | 0 | 0 | 106 | A888 C892 | A888-T890 PolarHBondContact O-N 3.29Å; T890-C892 PolarHBondContact O-N 2.87Å | ||
| 891 | V | 25.9 | Very low | 40.8 | Very low | 125 Ų | 125 | 103.7 Ų | 103.7 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | trans | -46.9 | 111.3 | 164.5 | 176.2 | 0 | 0 | 0 | 0 | 106.1 | S889 E893 | S889-V891 PolarHBondContact O-N 3.02Å; S889-V891 VanDerWaalsContact O-N 3.1Å; V891-E893 PolarHBondContact O-N 2.91Å | ||
| 892 | C | 24.9 | Very low | 43.9 | Very low | 115 Ų | 115 | 98.3 Ų | 98.3 | 78% | 0.777 | 57% | 0.574 | S | S | * | * | trans | -69.5 | 88.4 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 105.9 | T890 K894 | T890-C892 PolarHBondContact O-N 2.87Å; C892-K894 PolarHBondContact O-N 3.06Å | ||
| 893 | E | 28.8 | Very low | 47.2 | Very low | 130 Ų | 130 | 94 Ų | 94 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | trans | -56.8 | 110.8 | 164.9 | -73.3 | -168.9 | 164.6 | 0 | 0 | 105.8 | V891 | V891-E893 PolarHBondContact O-N 2.91Š| ||
| 894 | K | 25.1 | Very low | 50.6 | Low | 182 Ų | 182 | 85.5 Ų | 85.5 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 135.8 | 172.5 | -75.5 | -178.9 | 177.6 | 179.3 | 0 | 107 | C892 S896 | C892-K894 PolarHBondContact O-N 3.06Å; K894-S896 PolarHBondContact O-N 3.12Å; K894-S896 VanDerWaalsContact O-N 3.08Å |
| 895 | P | 39.9 | Very low | 53.9 | Low | 125 Ų | 125 | 80.1 Ų | 80.1 | 81% | 0.812 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 122.1 | -176.8 | 20.8 | -31.5 | 0 | 0 | 0 | 109 | R897 | P895-R897 PolarHBondContact O-N 3.01Š|
| 896 | S | 53.4 | Low | 57.1 | Low | 40 Ų | 40 | 75.3 Ų | 75.3 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 128.1 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | K894 M898 | K894-S896 PolarHBondContact O-N 3.12Å; K894-S896 VanDerWaalsContact O-N 3.08Å; S896-M898 PolarHBondContact O-N 3.39Å |
| 897 | R | 64.7 | Low | 60.4 | Low | 70 Ų | 70 | 69.8 Ų | 69.8 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127.4 | -178.7 | -168.3 | 178.9 | -175.5 | -173.6 | -1.5 | 108.7 | D768 D771 P895 R903 H997 | D768-R897 PolarHBondContact O-NH1 3.08Å; D768-R897 IonicContact OD1-CZ 3.14Å; D768-R897 IonicContact OD1-NE 3.64Å; D768-R897 IonicContact OD1-NH1 2.74Å; D768-R897 PolarHBondContact OD1-NH1 3.43Å; D768-R897 IonicContact OD1-NH2 2.85Å; D768-R897 PolarHBondContact OD1-NH2 3.09Å; D771-R897 VanDerWaalsContact CB-NH1 3.26Å; D771-R897 IonicContact OD2-CZ 2.68Å; D771-R897 IonicContact OD2-NH2 2.61Å; D771-R897 PolarHBondContact OD2-NH2 2.91Å; P895-R897 PolarHBondContact O-N 3.01Å; R897-R903 VanDerWaalsContact NH2-NH1 3.13Å; R897-H997 PolarHBondContact O-NE2 2.81Å |
| 898 | M | 75 | Confident | 63.6 | Low | 56 Ų | 56 | 63.2 Ų | 63.2 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.6 | 175 | -67.2 | -173.6 | -64.1 | 0 | 0 | 110.3 | S896 I902 R903 E906 E1000 | S896-M898 PolarHBondContact O-N 3.39Å; M898-I902 HydrophobicContact CB-CG2 4.29Å; M898-I902 HydrophobicContact SD-CG2 4.13Å; M898-R903 HydrophobicContact CB-CG 3.86Å; M898-R903 HydrophobicContact CE-CG 3.83Å; M898-R903 PolarHBondContact O-NE 3.33Å; M898-R903 PolarHBondContact O-NH2 3.43Å; M898-E906 WeakPolarHBondContact CE-OE2 3.19Å; M898-E1000 HydrophobicContact SD-CG 4.43Å |
| 899 | S | 85.4 | Confident | 66.9 | Low | 24 Ų | 24 | 59.7 Ų | 59.7 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -50 | 146.7 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | F901 I902 R903 E924 | S899-F901 VanDerWaalsContact C-N 3.27Å; S899-F901 PolarHBondContact O-N 2.95Å; S899-F901 PolarHBondContact OG-N 3.45Å; S899-I902 PolarHBondContact O-N 3.36Å; S899-R903 PolarHBondContact O-N 3.03Å; S899-E924 VanDerWaalsContact CB-OE2 3.22Å; S899-E924 WeakPolarHBondContact CB-OE2 3.49Å; S899-E924 PolarHBondContact OG-OE2 3.16Å |
| 900 | L | 89.3 | Confident | 70.1 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -40 | 178.9 | 175.5 | 60.2 | 0 | 0 | 0 | 112.5 | P738 V742 A764 D768 T904 | P738-L900 HydrophobicContact CB-CD1 3.65Å; P738-L900 HydrophobicContact CG-CD1 3.94Å; V742-L900 HydrophobicContact CG2-CD1 4Å; V742-L900 HydrophobicContact CG2-CD2 3.65Å; V742-L900 HydrophobicContact CG2-CG 3.63Å; A764-L900 HydrophobicContact CB-CD2 3.76Å; D768-L900 HydrophobicContact CB-CD2 4.42Å; L900-T904 PolarHBondContact O-N 3.39Å; L900-T904 PolarHBondContact O-OG1 3.5Å |
| 901 | F | 92.9 | Very high | 73.3 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | 179.1 | -62.7 | -71 | 0 | 0 | 0 | 112 | V742 L761 S899 T904 A905 H923 E924 | V742-F901 HydrophobicContact CG1-CD1 3.78Å; V742-F901 HydrophobicContact CG1-CE1 3.92Å; V742-F901 HydrophobicContact CG2-CE1 4.46Å; L761-F901 HydrophobicContact CD2-CE1 3.92Å; L761-F901 HydrophobicContact CD2-CZ 4.26Å; S899-F901 VanDerWaalsContact C-N 3.27Å; S899-F901 PolarHBondContact O-N 2.95Å; S899-F901 PolarHBondContact OG-N 3.45Å; F901-T904 PolarHBondContact O-N 3.25Å; F901-A905 VanDerWaalsContact O-CB 3.29Å; F901-A905 WeakPolarHBondContact O-CB 3.23Å; F901-A905 PolarHBondContact O-N 3.14Å; F901-H923 HydrophobicContact CD1-CB 3.59Å; F901-H923 HydrophobicContact CD2-CB 4.24Å; F901-H923 HydrophobicContact CE1-CB 3.54Å; F901-H923 AromaticContact CE1-CG 3.91Å; F901-H923 HydrophobicContact CE2-CB 4.19Å; F901-H923 HydrophobicContact CG-CB 3.95Å; F901-H923 HydrophobicContact CZ-CB 3.85Å; F901-E924 HydrophobicContact CB-CB 3.91Å |
| 902 | I | 92.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.1 | -66 | 177.1 | 0 | 0 | 0 | 110.5 | M898 S899 T904 A905 E906 E924 H997 E1000 L1004 | M898-I902 HydrophobicContact CB-CG2 4.29Å; M898-I902 HydrophobicContact SD-CG2 4.13Å; S899-I902 PolarHBondContact O-N 3.36Å; I902-T904 VanDerWaalsContact C-N 3.3Å; I902-T904 PolarHBondContact O-N 3.38Å; I902-A905 PolarHBondContact O-N 3.48Å; I902-E906 WeakPolarHBondContact O-CB 3.35Å; I902-E906 PolarHBondContact O-N 3.1Å; I902-E924 HydrophobicContact CD1-CG 4.19Å; I902-E924 HydrophobicContact CG1-CG 3.78Å; I902-H997 HydrophobicContact CD1-CB 4.02Å; I902-H997 VanDerWaalsContact CD1-O 3.31Å; I902-H997 WeakPolarHBondContact CD1-O 3.5Å; I902-E1000 HydrophobicContact CD1-CB 4.33Å; I902-E1000 HydrophobicContact CG2-CB 4.03Å; I902-L1004 HydrophobicContact CB-CD1 4.46Å; I902-L1004 HydrophobicContact CG2-CD1 3.75Å |
| 903 | R | 92.7 | Very high | 79.6 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.9 | -75.6 | -175.6 | -78.8 | 158.5 | -0.6 | 112.6 | D768 R897 M898 S899 F907 | D768-R903 VanDerWaalsContact CG-NH2 3.26Å; D768-R903 IonicContact OD1-CZ 2.71Å; D768-R903 IonicContact OD1-NH1 3.91Å; D768-R903 IonicContact OD1-NH2 3.26Å; D768-R903 PolarHBondContact OD1-NH2 3.26Å; D768-R903 IonicContact OD2-NH2 3.93Å; D768-R903 PolarHBondContact OD2-NH2 2.89Å; D768-R903 VanDerWaalsContact OD2-NH2 3.12Å; R897-R903 VanDerWaalsContact NH2-NH1 3.13Å; M898-R903 HydrophobicContact CB-CG 3.86Å; M898-R903 HydrophobicContact CE-CG 3.83Å; M898-R903 PolarHBondContact O-NE 3.33Å; M898-R903 PolarHBondContact O-NH2 3.43Å; S899-R903 PolarHBondContact O-N 3.03Å; R903-F907 WeakPolarHBondContact O-CB 3.42Å; R903-F907 PolarHBondContact O-N 2.78Å |
| 904 | T | 95.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -42.8 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | I739 V742 I743 L900 F901 I902 E906 F907 L908 | I739-T904 HydrophobicContact CG2-CG2 4.03Å; V742-T904 HydrophobicContact CB-CG2 4.02Å; V742-T904 HydrophobicContact CG1-CG2 3.7Å; I743-T904 HydrophobicContact CD1-CG2 4.43Å; I743-T904 HydrophobicContact CG1-CG2 3.75Å; L900-T904 PolarHBondContact O-N 3.39Å; L900-T904 PolarHBondContact O-OG1 3.5Å; F901-T904 PolarHBondContact O-N 3.25Å; I902-T904 VanDerWaalsContact C-N 3.3Å; I902-T904 PolarHBondContact O-N 3.38Å; T904-E906 VanDerWaalsContact C-N 3.35Å; T904-E906 PolarHBondContact O-N 3.32Å; T904-F907 PolarHBondContact O-N 3.41Å; T904-L908 HydrophobicContact CG2-CD1 3.93Å; T904-L908 HydrophobicContact CG2-CG 4.42Å; T904-L908 WeakPolarHBondContact O-CB 3.01Å; T904-L908 VanDerWaalsContact O-CG 3.26Å; T904-L908 WeakPolarHBondContact O-CG 3.5Å; T904-L908 PolarHBondContact O-N 3.44Å |
| 905 | A | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F901 I902 L908 L909 V917 A920 L921 L1004 | F901-A905 VanDerWaalsContact O-CB 3.29Å; F901-A905 WeakPolarHBondContact O-CB 3.23Å; F901-A905 PolarHBondContact O-N 3.14Å; I902-A905 PolarHBondContact O-N 3.48Å; A905-L908 PolarHBondContact O-N 3.45Å; A905-L909 WeakPolarHBondContact O-CB 3.39Å; A905-L909 PolarHBondContact O-N 2.97Å; A905-V917 HydrophobicContact CB-CG1 4.26Å; A905-A920 HydrophobicContact CB-CB 3.92Å; A905-L921 HydrophobicContact CB-CD2 3.92Å; A905-L921 HydrophobicContact CB-CG 4.09Å; A905-L1004 HydrophobicContact CB-CD1 3.92Å |
| 906 | E | 93.8 | Very high | 88.2 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 173.9 | -176.7 | 172.4 | -144.4 | 0 | 0 | 111.7 | M898 I902 T904 L908 L909 D910 L1004 K1070 | M898-E906 WeakPolarHBondContact CE-OE2 3.19Å; I902-E906 WeakPolarHBondContact O-CB 3.35Å; I902-E906 PolarHBondContact O-N 3.1Å; T904-E906 VanDerWaalsContact C-N 3.35Å; T904-E906 PolarHBondContact O-N 3.32Å; E906-L908 VanDerWaalsContact C-N 3.28Å; E906-L908 PolarHBondContact O-N 2.94Å; E906-L909 PolarHBondContact O-N 3.32Å; E906-L909 VanDerWaalsContact O-N 3.16Å; E906-D910 PolarHBondContact O-N 2.96Å; E906-L1004 HydrophobicContact CB-CD2 4.18Å; E906-K1070 IonicContact OE1-NZ 2.63Å; E906-K1070 PolarHBondContact OE1-NZ 2.9Å |
| 907 | F | 94.7 | Very high | 90.1 | Very high | 51 Ų | 51 | 26.7 Ų | 26.7 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.8 | -42.3 | 177 | 173.4 | -92.4 | 0 | 0 | 0 | 112.7 | T705 V708 I739 I743 R903 T904 R911 | T705-F907 HydrophobicContact CG2-CZ 4.37Å; V708-F907 HydrophobicContact CG1-CE1 4.5Å; I739-F907 HydrophobicContact CG2-CB 4.32Å; I739-F907 HydrophobicContact CG2-CD1 4.08Å; I739-F907 HydrophobicContact CG2-CG 4.17Å; I743-F907 HydrophobicContact CD1-CD1 3.83Å; I743-F907 HydrophobicContact CD1-CE1 3.73Å; R903-F907 WeakPolarHBondContact O-CB 3.42Å; R903-F907 PolarHBondContact O-N 2.78Å; T904-F907 PolarHBondContact O-N 3.41Å; F907-R911 VanDerWaalsContact O-CG 3.31Å; F907-R911 WeakPolarHBondContact O-CG 3.36Å |
| 908 | L | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.3 | -37.3 | 178.9 | -70.9 | 169.5 | 0 | 0 | 0 | 112.2 | L712 I743 L746 T904 A905 E906 R911 N912 M913 F916 V917 | L712-L908 HydrophobicContact CD1-CD2 3.64Å; I743-L908 HydrophobicContact CD1-CD2 4.07Å; I743-L908 HydrophobicContact CG1-CD2 4.31Å; L746-L908 HydrophobicContact CD1-CD1 4.23Å; T904-L908 HydrophobicContact CG2-CD1 3.93Å; T904-L908 HydrophobicContact CG2-CG 4.42Å; T904-L908 WeakPolarHBondContact O-CB 3.01Å; T904-L908 VanDerWaalsContact O-CG 3.26Å; T904-L908 WeakPolarHBondContact O-CG 3.5Å; T904-L908 PolarHBondContact O-N 3.44Å; A905-L908 PolarHBondContact O-N 3.45Å; E906-L908 VanDerWaalsContact C-N 3.28Å; E906-L908 PolarHBondContact O-N 2.94Å; L908-R911 CarbonylContact O-C 3.54Å; L908-R911 PolarHBondContact O-N 3.44Å; L908-N912 PolarHBondContact O-N 3.13Å; L908-M913 HydrophobicContact CB-CB 4.13Å; L908-M913 HydrophobicContact CD2-CB 3.99Å; L908-M913 HydrophobicContact CD2-CG 4.3Å; L908-M913 WeakPolarHBondContact O-CB 3.17Å; L908-M913 PolarHBondContact O-N 2.87Å; L908-F916 HydrophobicContact CD1-CB 3.73Å; L908-F916 HydrophobicContact CD2-CB 4.28Å; L908-V917 HydrophobicContact CB-CG2 3.54Å |
| 909 | L | 92.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69 | -42.2 | -178.6 | -176.3 | 65.3 | 0 | 0 | 0 | 111.8 | A905 E906 R911 N912 Y914 V917 L1004 R1007 L1008 | A905-L909 WeakPolarHBondContact O-CB 3.39Å; A905-L909 PolarHBondContact O-N 2.97Å; E906-L909 PolarHBondContact O-N 3.32Å; E906-L909 VanDerWaalsContact O-N 3.16Å; L909-R911 PolarHBondContact O-N 3.49Å; L909-N912 PolarHBondContact O-N 3Å; L909-Y914 HydrophobicContact CD1-CD1 4.17Å; L909-Y914 HydrophobicContact CD1-CE1 4.19Å; L909-V917 HydrophobicContact CB-CG1 4.46Å; L909-V917 HydrophobicContact CB-CG2 3.88Å; L909-V917 HydrophobicContact CD1-CG2 4.41Å; L909-L1004 HydrophobicContact CD2-CD2 3.71Å; L909-R1007 HydrophobicContact CD2-CB 3.64Å; L909-L1008 HydrophobicContact CD1-CB 4.47Å; L909-L1008 HydrophobicContact CD1-CD1 4.41Å |
| 910 | D | 91.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 24.1 Ų | 24.1 | 49% | 0.492 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.5 | 174.7 | -71.8 | -5.5 | 0 | 0 | 0 | 112.8 | E906 R1007 | E906-D910 PolarHBondContact O-N 2.96Å; D910-R1007 IonicContact OD1-CZ 3.53Å; D910-R1007 IonicContact OD1-NH2 2.63Å; D910-R1007 PolarHBondContact OD1-NH2 3.3Å |
| 911 | R | 92.8 | Very high | 93 | Very high | 54 Ų | 54 | 24 Ų | 24 | 20% | 0.204 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 11.8 | 178.1 | -59.2 | -68.8 | -178.1 | 155.2 | -3.7 | 113.1 | D675 V678 L709 F907 L908 L909 M913 | D675-R911 IonicContact OD1-NH1 3.16Å; D675-R911 PolarHBondContact OD1-NH1 3.08Å; V678-R911 HydrophobicContact CG2-CB 4.29Å; V678-R911 HydrophobicContact CG2-CG 4.43Å; L709-R911 HydrophobicContact CD2-CB 3.96Å; L709-R911 HydrophobicContact CD2-CG 4.19Å; F907-R911 VanDerWaalsContact O-CG 3.31Å; F907-R911 WeakPolarHBondContact O-CG 3.36Å; L908-R911 CarbonylContact O-C 3.54Å; L908-R911 PolarHBondContact O-N 3.44Å; L909-R911 PolarHBondContact O-N 3.49Å; R911-M913 VanDerWaalsContact C-N 3.32Å; R911-M913 HydrophobicContact CB-CG 4.34Å; R911-M913 PolarHBondContact O-N 3.34Å |
| 912 | N | 90.8 | Very high | 93 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 30.9 | 178.3 | -55.2 | -40.4 | 0 | 0 | 0 | 114.6 | V678 L681 L908 L909 Y914 | V678-N912 PolarHBondContact O-ND2 3.02Å; V678-N912 VanDerWaalsContact O-ND2 3.13Å; L681-N912 HydrophobicContact CB-CB 4.32Å; L908-N912 PolarHBondContact O-N 3.13Å; L909-N912 PolarHBondContact O-N 3Å; N912-Y914 HydrophobicContact CB-CE1 4.38Å; N912-Y914 HydrophobicContact CB-CE2 4.36Å; N912-Y914 PolarHBondContact O-N 2.58Å; N912-Y914 PolarHBondContact OD1-OH 2.89Å |
| 913 | M | 91.4 | Very high | 93 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -93.4 | 59.4 | -178.6 | -62.7 | -77.1 | 78 | 0 | 0 | 113.2 | L681 L712 M716 L908 R911 S915 F916 V917 | L681-M913 HydrophobicContact CB-CE 3.86Å; L681-M913 HydrophobicContact CD1-CE 3.35Å; L681-M913 HydrophobicContact CD1-SD 3.93Å; L681-M913 HydrophobicContact CD2-CE 3.81Å; L681-M913 HydrophobicContact CG-CE 3.81Å; L712-M913 HydrophobicContact CB-SD 4.11Å; L712-M913 HydrophobicContact CD1-CG 4.43Å; L712-M913 HydrophobicContact CD1-SD 4.37Å; M716-M913 HydrophobicContact SD-CE 3.73Å; M716-M913 HydrophobicContact SD-SD 4.17Å; L908-M913 HydrophobicContact CB-CB 4.13Å; L908-M913 HydrophobicContact CD2-CB 3.99Å; L908-M913 HydrophobicContact CD2-CG 4.3Å; L908-M913 WeakPolarHBondContact O-CB 3.17Å; L908-M913 PolarHBondContact O-N 2.87Å; R911-M913 VanDerWaalsContact C-N 3.32Å; R911-M913 HydrophobicContact CB-CG 4.34Å; R911-M913 PolarHBondContact O-N 3.34Å; M913-S915 PolarHBondContact O-N 3.31Å; M913-F916 PolarHBondContact O-N 2.96Å; M913-V917 WeakPolarHBondContact O-CG2 3.33Å; M913-V917 PolarHBondContact O-N 3.03Å | ||
| 914 | Y | 91.6 | Very high | 92.8 | Very high | 24 Ų | 24 | 25 Ų | 25 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.4 | -38.1 | -166.5 | -50.8 | -52.8 | 0 | 0 | 0 | 115.9 | L909 N912 V917 S918 L1008 N1011 Y1013 | L909-Y914 HydrophobicContact CD1-CD1 4.17Å; L909-Y914 HydrophobicContact CD1-CE1 4.19Å; N912-Y914 HydrophobicContact CB-CE1 4.38Å; N912-Y914 HydrophobicContact CB-CE2 4.36Å; N912-Y914 PolarHBondContact O-N 2.58Å; N912-Y914 PolarHBondContact OD1-OH 2.89Å; Y914-V917 PolarHBondContact O-N 2.73Å; Y914-S918 PolarHBondContact O-N 3.15Å; Y914-S918 VanDerWaalsContact O-N 3.09Å; Y914-L1008 HydrophobicContact CD1-CD1 3.79Å; Y914-L1008 HydrophobicContact CG-CD1 4.18Å; Y914-N1011 HydrophobicContact CD1-CB 4.5Å; Y914-N1011 HydrophobicContact CE1-CB 3.57Å; Y914-N1011 WeakPolarHBondContact CE2-O 3.45Å; Y914-N1011 VanDerWaalsContact CZ-O 3.23Å; Y914-N1011 PolarHBondContact OH-O 3.02Å; Y914-Y1013 HydrophobicContact CD2-CD2 4.35Å; Y914-Y1013 AromaticContact CD2-CE2 3.86Å; Y914-Y1013 HydrophobicContact CD2-CE2 3.86Å; Y914-Y1013 AromaticContact CD2-CZ 3.99Å; Y914-Y1013 HydrophobicContact CE2-CE1 4.28Å; Y914-Y1013 HydrophobicContact CE2-CE2 4.34Å |
| 915 | S | 90.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | M913 S918 M919 | M913-S915 PolarHBondContact O-N 3.31Å; S915-S918 PolarHBondContact O-N 3.16Å; S915-S918 PolarHBondContact O-OG 2.92Å; S915-M919 PolarHBondContact O-N 3.37Å |
| 916 | F | 93.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.6 | -31.3 | 178.7 | -68.3 | -78.7 | 0 | 0 | 0 | 112.6 | L712 A715 M716 L746 L908 M913 S918 M919 A920 | L712-F916 HydrophobicContact CB-CE2 4.15Å; L712-F916 HydrophobicContact CD2-CD1 3.98Å; L712-F916 HydrophobicContact CD2-CD2 3.85Å; L712-F916 HydrophobicContact CD2-CE1 3.72Å; L712-F916 HydrophobicContact CD2-CE2 3.57Å; L712-F916 HydrophobicContact CD2-CG 4.04Å; L712-F916 HydrophobicContact CD2-CZ 3.51Å; L712-F916 HydrophobicContact CG-CE2 4.39Å; A715-F916 HydrophobicContact CB-CZ 4.05Å; M716-F916 HydrophobicContact CG-CE2 3.99Å; L746-F916 HydrophobicContact CB-CD1 4.18Å; L908-F916 HydrophobicContact CD1-CB 3.73Å; L908-F916 HydrophobicContact CD2-CB 4.28Å; M913-F916 PolarHBondContact O-N 2.96Å; F916-S918 VanDerWaalsContact C-N 3.34Å; F916-S918 PolarHBondContact O-N 3.46Å; F916-M919 HydrophobicContact CD1-SD 4.31Å; F916-M919 PolarHBondContact O-N 3.45Å; F916-A920 PolarHBondContact O-N 2.92Å |
| 917 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | A905 L908 L909 M913 Y914 M919 A920 L921 L1008 | A905-V917 HydrophobicContact CB-CG1 4.26Å; L908-V917 HydrophobicContact CB-CG2 3.54Å; L909-V917 HydrophobicContact CB-CG1 4.46Å; L909-V917 HydrophobicContact CB-CG2 3.88Å; L909-V917 HydrophobicContact CD1-CG2 4.41Å; M913-V917 WeakPolarHBondContact O-CG2 3.33Å; M913-V917 PolarHBondContact O-N 3.03Å; Y914-V917 PolarHBondContact O-N 2.73Å; V917-M919 VanDerWaalsContact C-N 3.28Å; V917-M919 PolarHBondContact O-N 3.45Å; V917-A920 PolarHBondContact O-N 2.92Å; V917-L921 HydrophobicContact CG1-CD1 3.81Å; V917-L921 HydrophobicContact CG1-CG 4.27Å; V917-L921 WeakPolarHBondContact O-CG 3.4Å; V917-L921 PolarHBondContact O-N 3.39Å; V917-L1008 HydrophobicContact CB-CD1 4.11Å; V917-L1008 HydrophobicContact CG1-CB 4.46Å; V917-L1008 HydrophobicContact CG1-CD1 4.08Å; V917-L1008 HydrophobicContact CG1-CD2 4.05Å; V917-L1008 HydrophobicContact CG1-CG 4.43Å |
| 918 | S | 92.5 | Very high | 91.3 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 42% | 0.42 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 179.6 | 74 | 0 | 0 | 0 | 0 | 112.7 | Y914 S915 F916 A922 | Y914-S918 PolarHBondContact O-N 3.15Å; Y914-S918 VanDerWaalsContact O-N 3.09Å; S915-S918 PolarHBondContact O-N 3.16Å; S915-S918 PolarHBondContact O-OG 2.92Å; F916-S918 VanDerWaalsContact C-N 3.34Å; F916-S918 PolarHBondContact O-N 3.46Å; S918-A922 WeakPolarHBondContact O-CB 3.22Å; S918-A922 PolarHBondContact O-N 3.39Å |
| 919 | M | 93.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | 175.4 | -61.1 | 176.7 | 66.9 | 0 | 0 | 111.6 | L746 E749 S915 F916 V917 L921 A922 H923 | L746-M919 HydrophobicContact CB-CE 4.44Å; L746-M919 HydrophobicContact CD2-CB 3.93Å; L746-M919 WeakPolarHBondContact O-CE 3.47Å; E749-M919 HydrophobicContact CB-CE 3.87Å; E749-M919 HydrophobicContact CG-CE 3.89Å; S915-M919 PolarHBondContact O-N 3.37Å; F916-M919 HydrophobicContact CD1-SD 4.31Å; F916-M919 PolarHBondContact O-N 3.45Å; V917-M919 VanDerWaalsContact C-N 3.28Å; V917-M919 PolarHBondContact O-N 3.45Å; M919-L921 VanDerWaalsContact C-N 3.33Å; M919-L921 PolarHBondContact O-N 2.71Å; M919-A922 WeakPolarHBondContact O-CB 3.31Å; M919-A922 PolarHBondContact O-N 2.98Å; M919-A922 VanDerWaalsContact O-N 3.15Å; M919-H923 PolarHBondContact O-CD2 3.15Å; M919-H923 PolarHBondContact O-N 3.44Å; M919-H923 VanDerWaalsContact O-N 3.07Å |
| 920 | A | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L746 A905 F916 V917 A922 H923 E924 | L746-A920 HydrophobicContact CD1-CB 3.85Å; A905-A920 HydrophobicContact CB-CB 3.92Å; F916-A920 PolarHBondContact O-N 2.92Å; V917-A920 PolarHBondContact O-N 2.92Å; A920-A922 VanDerWaalsContact C-N 3.34Å; A920-A922 PolarHBondContact O-N 2.91Å; A920-H923 PolarHBondContact O-N 3.42Å; A920-E924 PolarHBondContact O-N 3.17Å |
| 921 | L | 93.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -33.4 | 176.3 | -68 | 173.4 | 0 | 0 | 0 | 112.2 | A905 V917 M919 E924 L925 Y1001 L1004 L1008 | A905-L921 HydrophobicContact CB-CD2 3.92Å; A905-L921 HydrophobicContact CB-CG 4.09Å; V917-L921 HydrophobicContact CG1-CD1 3.81Å; V917-L921 HydrophobicContact CG1-CG 4.27Å; V917-L921 WeakPolarHBondContact O-CG 3.4Å; V917-L921 PolarHBondContact O-N 3.39Å; M919-L921 VanDerWaalsContact C-N 3.33Å; M919-L921 PolarHBondContact O-N 2.71Å; L921-E924 WeakPolarHBondContact O-CB 3.29Å; L921-E924 PolarHBondContact O-N 2.91Å; L921-L925 PolarHBondContact O-N 3.01Å; L921-Y1001 HydrophobicContact CB-CD2 4.48Å; L921-Y1001 HydrophobicContact CB-CE2 3.93Å; L921-Y1001 HydrophobicContact CD2-CD2 3.79Å; L921-Y1001 HydrophobicContact CD2-CE2 4.07Å; L921-Y1001 WeakPolarHBondContact O-CE2 3.34Å; L921-L1004 HydrophobicContact CD1-CB 4.42Å; L921-L1004 HydrophobicContact CD2-CB 4Å; L921-L1004 HydrophobicContact CD2-CD1 4.19Å; L921-L1008 HydrophobicContact CD1-CD2 4.03Å |
| 922 | A | 93.2 | Very high | 88.3 | Confident | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S918 M919 A920 E924 L925 I926 | S918-A922 WeakPolarHBondContact O-CB 3.22Å; S918-A922 PolarHBondContact O-N 3.39Å; M919-A922 WeakPolarHBondContact O-CB 3.31Å; M919-A922 PolarHBondContact O-N 2.98Å; M919-A922 VanDerWaalsContact O-N 3.15Å; A920-A922 VanDerWaalsContact C-N 3.34Å; A920-A922 PolarHBondContact O-N 2.91Å; A922-E924 VanDerWaalsContact C-N 3.34Å; A922-L925 PolarHBondContact O-N 2.9Å; A922-I926 WeakPolarHBondContact O-CG1 3.22Å; A922-I926 PolarHBondContact O-N 3.31Å; A922-I926 VanDerWaalsContact O-N 3.09Å |
| 923 | H | 91.8 | Very high | 87.3 | Confident | 31 Ų | 31 | 50 Ų | 50 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 173 | -83.5 | -82.2 | 0 | 0 | 0 | 112.4 | E749 F901 M919 A920 I926 A927 | E749-H923 IonicContact OE1-NE2 3.31Å; E749-H923 IonicContact OE2-CD2 3.4Å; E749-H923 IonicContact OE2-CE1 3.94Å; E749-H923 IonicContact OE2-NE2 2.74Å; E749-H923 PolarHBondContact OE2-NE2 3.15Å; F901-H923 HydrophobicContact CD1-CB 3.59Å; F901-H923 HydrophobicContact CD2-CB 4.24Å; F901-H923 HydrophobicContact CE1-CB 3.54Å; F901-H923 AromaticContact CE1-CG 3.91Å; F901-H923 HydrophobicContact CE2-CB 4.19Å; F901-H923 HydrophobicContact CG-CB 3.95Å; F901-H923 HydrophobicContact CZ-CB 3.85Å; M919-H923 PolarHBondContact O-CD2 3.15Å; M919-H923 PolarHBondContact O-N 3.44Å; M919-H923 VanDerWaalsContact O-N 3.07Å; A920-H923 PolarHBondContact O-N 3.42Å; H923-I926 PolarHBondContact O-N 2.81Å; H923-A927 WeakPolarHBondContact O-CB 3.46Å; H923-A927 PolarHBondContact O-N 2.81Å |
| 924 | E | 90.2 | Very high | 85.9 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 175 | -178.8 | 58.5 | -159.8 | 0 | 0 | 111.6 | S899 F901 I902 A920 L921 A922 I926 A927 Q928 Y1001 | S899-E924 VanDerWaalsContact CB-OE2 3.22Å; S899-E924 WeakPolarHBondContact CB-OE2 3.49Å; S899-E924 PolarHBondContact OG-OE2 3.16Å; F901-E924 HydrophobicContact CB-CB 3.91Å; I902-E924 HydrophobicContact CD1-CG 4.19Å; I902-E924 HydrophobicContact CG1-CG 3.78Å; A920-E924 PolarHBondContact O-N 3.17Å; L921-E924 WeakPolarHBondContact O-CB 3.29Å; L921-E924 PolarHBondContact O-N 2.91Å; A922-E924 VanDerWaalsContact C-N 3.34Å; E924-I926 VanDerWaalsContact C-N 3.3Å; E924-I926 PolarHBondContact O-N 3.07Å; E924-A927 WeakPolarHBondContact O-CB 3.43Å; E924-A927 PolarHBondContact O-N 3.28Å; E924-A927 VanDerWaalsContact O-N 3.11Å; E924-Q928 WeakPolarHBondContact O-CG 3.41Å; E924-Q928 PolarHBondContact O-N 3.34Å; E924-Q928 PolarHBondContact OE1-NE2 2.74Å; E924-Y1001 HydrophobicContact CB-CD2 4.32Å; E924-Y1001 HydrophobicContact CG-CD2 3.98Å |
| 925 | L | 89.1 | Confident | 84.3 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 178.4 | -174.4 | 67.8 | 0 | 0 | 0 | 112.1 | L921 A922 K929 Y1001 | L921-L925 PolarHBondContact O-N 3.01Å; A922-L925 PolarHBondContact O-N 2.9Å; L925-K929 WeakPolarHBondContact O-CB 3.35Å; L925-K929 PolarHBondContact O-N 3.22Å; L925-Y1001 HydrophobicContact CB-CE2 4.37Å |
| 926 | I | 88.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 62 Ų | 62 | 45% | 0.451 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.4 | -66.5 | 165.4 | 0 | 0 | 0 | 110.8 | A922 H923 E924 K929 K930 | A922-I926 WeakPolarHBondContact O-CG1 3.22Å; A922-I926 PolarHBondContact O-N 3.31Å; A922-I926 VanDerWaalsContact O-N 3.09Å; H923-I926 PolarHBondContact O-N 2.81Å; E924-I926 VanDerWaalsContact C-N 3.3Å; E924-I926 PolarHBondContact O-N 3.07Å; I926-K929 PolarHBondContact O-N 2.91Å; I926-K930 HydrophobicContact CG2-CD 4.41Å; I926-K930 WeakPolarHBondContact O-CG 3.5Å; I926-K930 PolarHBondContact O-N 3.06Å; I926-K930 VanDerWaalsContact O-N 3.08Å |
| 927 | A | 85 | Confident | 80.5 | Confident | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H923 E924 K929 K930 E931 | H923-A927 WeakPolarHBondContact O-CB 3.46Å; H923-A927 PolarHBondContact O-N 2.81Å; E924-A927 WeakPolarHBondContact O-CB 3.43Å; E924-A927 PolarHBondContact O-N 3.28Å; E924-A927 VanDerWaalsContact O-N 3.11Å; A927-K929 VanDerWaalsContact C-N 3.34Å; A927-K929 PolarHBondContact O-N 2.79Å; A927-K930 PolarHBondContact O-N 3.12Å; A927-E931 PolarHBondContact O-N 2.95Å |
| 928 | Q | 82.1 | Confident | 78.2 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.6 | -69.6 | 178.3 | 6.6 | 0 | 0 | 112.1 | E924 K930 E931 L932 | E924-Q928 WeakPolarHBondContact O-CG 3.41Å; E924-Q928 PolarHBondContact O-N 3.34Å; E924-Q928 PolarHBondContact OE1-NE2 2.74Å; Q928-K930 VanDerWaalsContact C-N 3.34Å; Q928-K930 PolarHBondContact O-N 3.21Å; Q928-E931 PolarHBondContact O-N 2.93Å; Q928-L932 PolarHBondContact O-N 2.86Å |
| 929 | K | 82.4 | Confident | 75.6 | Confident | 131 Ų | 131 | 77.2 Ų | 77.2 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 176.3 | -178 | 178.7 | 173.8 | -177.5 | 0 | 111.7 | L925 I926 A927 E931 L932 E933 | L925-K929 WeakPolarHBondContact O-CB 3.35Å; L925-K929 PolarHBondContact O-N 3.22Å; I926-K929 PolarHBondContact O-N 2.91Å; A927-K929 VanDerWaalsContact C-N 3.34Å; A927-K929 PolarHBondContact O-N 2.79Å; K929-E931 VanDerWaalsContact C-N 3.35Å; K929-L932 PolarHBondContact O-N 2.96Å; K929-E933 WeakPolarHBondContact CE-OE1 3.44Å; K929-E933 WeakPolarHBondContact O-CG 3.27Å; K929-E933 PolarHBondContact O-N 2.72Å |
| 930 | K | 79.6 | Confident | 72.4 | Confident | 119 Ų | 119 | 83.7 Ų | 83.7 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177 | -73.9 | 175.4 | -180 | 177.7 | 0 | 111.1 | I926 A927 Q928 L932 E933 Y934 | I926-K930 HydrophobicContact CG2-CD 4.41Å; I926-K930 WeakPolarHBondContact O-CG 3.5Å; I926-K930 PolarHBondContact O-N 3.06Å; I926-K930 VanDerWaalsContact O-N 3.08Å; A927-K930 PolarHBondContact O-N 3.12Å; Q928-K930 VanDerWaalsContact C-N 3.34Å; Q928-K930 PolarHBondContact O-N 3.21Å; K930-L932 VanDerWaalsContact C-N 3.32Å; K930-L932 PolarHBondContact O-N 2.88Å; K930-E933 PolarHBondContact O-N 2.64Å; K930-Y934 WeakPolarHBondContact O-CD2 3.41Å; K930-Y934 PolarHBondContact O-N 3.34Å |
| 931 | E | 75.9 | Confident | 69.5 | Low | 88 Ų | 88 | 89.3 Ų | 89.3 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 178.5 | -167.3 | 173.8 | 175 | 0 | 0 | 112.1 | A927 Q928 K929 Y934 Q935 | A927-E931 PolarHBondContact O-N 2.95Å; Q928-E931 PolarHBondContact O-N 2.93Å; K929-E931 VanDerWaalsContact C-N 3.35Å; E931-Y934 PolarHBondContact O-N 3.35Å; E931-Q935 WeakPolarHBondContact O-CG 3.46Å; E931-Q935 PolarHBondContact O-N 3.17Å |
| 932 | L | 73.1 | Confident | 66.3 | Low | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 174.8 | -170.8 | 66.4 | 0 | 0 | 0 | 112.1 | Q928 K929 K930 Q935 T936 | Q928-L932 PolarHBondContact O-N 2.86Å; K929-L932 PolarHBondContact O-N 2.96Å; K930-L932 VanDerWaalsContact C-N 3.32Å; K930-L932 PolarHBondContact O-N 2.88Å; L932-Q935 PolarHBondContact O-N 3.35Å; L932-T936 PolarHBondContact O-N 2.76Å |
| 933 | E | 69.6 | Low | 63.2 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 174.8 | -73.9 | 172.7 | -176.9 | 0 | 0 | 111.4 | K929 K930 Q935 T936 I937 | K929-E933 WeakPolarHBondContact CE-OE1 3.44Å; K929-E933 WeakPolarHBondContact O-CG 3.27Å; K929-E933 PolarHBondContact O-N 2.72Å; K930-E933 PolarHBondContact O-N 2.64Å; E933-Q935 VanDerWaalsContact C-N 3.32Å; E933-Q935 PolarHBondContact O-N 3.3Å; E933-T936 PolarHBondContact O-N 2.79Å; E933-T936 VanDerWaalsContact O-N 3.15Å; E933-T936 PolarHBondContact O-OG1 3.25Å; E933-I937 WeakPolarHBondContact O-CG1 3.22Å; E933-I937 PolarHBondContact O-N 3.3Å |
| 934 | Y | 61.5 | Low | 60 | Low | 168 Ų | 168 | 108.5 Ų | 108.5 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61 | -39.3 | 175 | -82.5 | -69.5 | 0 | 0 | 0 | 112.9 | K930 E931 T938 | K930-Y934 WeakPolarHBondContact O-CD2 3.41Å; K930-Y934 PolarHBondContact O-N 3.34Å; E931-Y934 PolarHBondContact O-N 3.35Å; Y934-T938 PolarHBondContact O-N 2.74Å; Y934-T938 PolarHBondContact O-OG1 3.02Å |
| 935 | Q | 58 | Low | 57 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 33% | 0.327 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -38.1 | 174.7 | -69.7 | -176 | 11.3 | 0 | 0 | 111.5 | E931 L932 E933 T938 Y939 L994 | E931-Q935 WeakPolarHBondContact O-CG 3.46Å; E931-Q935 PolarHBondContact O-N 3.17Å; L932-Q935 PolarHBondContact O-N 3.35Å; E933-Q935 VanDerWaalsContact C-N 3.32Å; E933-Q935 PolarHBondContact O-N 3.3Å; Q935-T938 PolarHBondContact O-OG1 2.89Å; Q935-Y939 VanDerWaalsContact O-CD2 3.24Å; Q935-Y939 WeakPolarHBondContact O-CD2 3.32Å; Q935-L994 VanDerWaalsContact NE2-CD1 3.32Å |
| 936 | T | 54.2 | Low | 53.9 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -36 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | L932 E933 | L932-T936 PolarHBondContact O-N 2.76Å; E933-T936 PolarHBondContact O-N 2.79Å; E933-T936 VanDerWaalsContact O-N 3.15Å; E933-T936 PolarHBondContact O-OG1 3.25Å |
| 937 | I | 49.9 | Very low | 50.9 | Low | 132 Ų | 132 | 118.8 Ų | 118.8 | 68% | 0.677 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.8 | -29.9 | -177 | -65.1 | 165.1 | 0 | 0 | 0 | 112.1 | E933 Y939 | E933-I937 WeakPolarHBondContact O-CG1 3.22Å; E933-I937 PolarHBondContact O-N 3.3Å; I937-Y939 VanDerWaalsContact C-N 3.27Å; I937-Y939 PolarHBondContact O-N 3.01Å |
| 938 | T | 44.9 | Very low | 48 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76 | -11.7 | -179.9 | 41.7 | 0 | 0 | 0 | 0 | 114.1 | Y934 Q935 | Y934-T938 PolarHBondContact O-N 2.74Å; Y934-T938 PolarHBondContact O-OG1 3.02Å; Q935-T938 PolarHBondContact O-OG1 2.89Å |
| 939 | Y | 37.6 | Very low | 45.3 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | trans | -102.3 | 84.2 | 173.3 | -74.1 | -94.7 | 0 | 0 | 0 | 110.6 | Q935 I937 | Q935-Y939 VanDerWaalsContact O-CD2 3.24Å; Q935-Y939 WeakPolarHBondContact O-CD2 3.32Å; I937-Y939 VanDerWaalsContact C-N 3.27Å; I937-Y939 PolarHBondContact O-N 3.01Å | ||
| 940 | E | 27.8 | Very low | 42.6 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -60.8 | 128.8 | 157.2 | -101.1 | -171.5 | 166.4 | 0 | 0 | 108.5 | Q942 | E940-Q942 PolarHBondContact O-N 3.02Š| ||
| 941 | P | 31.6 | Very low | 39.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | trans | -67.4 | 104.4 | 177.9 | 26.9 | -30.3 | 0 | 0 | 0 | 107.5 | T943 | P941-T943 PolarHBondContact O-N 2.95Š| ||
| 942 | Q | 27.6 | Very low | 37.4 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -48.7 | 113.7 | 164.9 | -76.1 | -172.9 | -11.1 | 0 | 0 | 107.2 | E940 L944 | E940-Q942 PolarHBondContact O-N 3.02Å; Q942-L944 PolarHBondContact O-N 3.18Å | ||
| 943 | T | 26.1 | Very low | 35 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | -48.9 | 102.4 | 179.4 | 47.1 | 0 | 0 | 0 | 0 | 109 | P941 I945 | P941-T943 PolarHBondContact O-N 2.95Å; T943-I945 VanDerWaalsContact C-N 3.26Å; T943-I945 PolarHBondContact O-N 3.12Å | ||
| 944 | L | 25.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 93% | 0.927 | 74% | 0.739 | S | S | * | * | trans | -64.5 | 96.2 | 167 | -88.8 | 157.7 | 0 | 0 | 0 | 106.3 | Q942 S946 | Q942-L944 PolarHBondContact O-N 3.18Å; L944-S946 PolarHBondContact O-N 3.1Å | ||
| 945 | I | 26.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | -51.6 | 123 | 171.2 | -65.9 | 169.4 | 0 | 0 | 0 | 107 | T943 N947 | T943-I945 VanDerWaalsContact C-N 3.26Å; T943-I945 PolarHBondContact O-N 3.12Å; I945-N947 PolarHBondContact O-N 2.71Å | ||
| 946 | S | 23.2 | Very low | 29 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -38.6 | 96.1 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | L944 | L944-S946 PolarHBondContact O-N 3.1Š| ||
| 947 | N | 26.1 | Very low | 27.7 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 106.8 | 158.1 | -83.9 | -22 | 0 | 0 | 0 | 107.4 | I945 V949 | I945-N947 PolarHBondContact O-N 2.71Å; N947-V949 PolarHBondContact O-N 3.16Å | ||
| 948 | S | 24.9 | Very low | 26.5 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -37.3 | 115.1 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | P950 | S948-P950 VanDerWaalsContact O-CD 3.3Å; S948-P950 WeakPolarHBondContact O-CD 3.01Å | ||
| 949 | V | 24.1 | Very low | 25.5 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 117.6 | 168 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | N947 N951 | N947-V949 PolarHBondContact O-N 3.16Å; V949-N951 PolarHBondContact O-N 2.98Å | ||
| 950 | P | 27.2 | Very low | 24.9 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 117.8 | 163 | -1.9 | 21.2 | 0 | 0 | 0 | 107.6 | S948 L952 | S948-P950 VanDerWaalsContact O-CD 3.3Å; S948-P950 WeakPolarHBondContact O-CD 3.01Å; P950-L952 PolarHBondContact O-N 3.41Å; P950-L952 VanDerWaalsContact O-N 3.1Å | ||
| 951 | N | 21.5 | Very low | 24.6 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -43.4 | 112.9 | 167.5 | -92.9 | -36.3 | 0 | 0 | 0 | 111.2 | V949 | V949-N951 PolarHBondContact O-N 2.98Š| ||
| 952 | L | 23.4 | Very low | 24.1 | Very low | 164 Ų | 164 | 144 Ų | 144 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -121.9 | 106 | 162.7 | -84.6 | 163.1 | 0 | 0 | 0 | 108 | P950 | P950-L952 PolarHBondContact O-N 3.41Å; P950-L952 VanDerWaalsContact O-N 3.1Å | ||
| 953 | Q | 23.1 | Very low | 23.9 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -59.2 | 137.3 | 173.9 | -88.1 | 155.9 | -46.4 | 0 | 0 | 110.9 | Q955 | Q953-Q955 PolarHBondContact O-N 3.41Å; Q953-Q955 VanDerWaalsContact O-N 3.11Å | ||
| 954 | L | 20.5 | Very low | 23.6 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -51.2 | 111.2 | 166.3 | -85.7 | 82.6 | 0 | 0 | 0 | 110 | ||||
| 955 | Q | 24 | Very low | 23.5 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -113.6 | 111.1 | 151.9 | -93.5 | 179.7 | -28.4 | 0 | 0 | 108.1 | Q953 D957 | Q953-Q955 PolarHBondContact O-N 3.41Å; Q953-Q955 VanDerWaalsContact O-N 3.11Å; Q955-D957 PolarHBondContact O-N 2.83Å | ||
| 956 | T | 19.8 | Very low | 23.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -65.9 | 105.3 | 168.1 | 47.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 957 | D | 26.8 | Very low | 23.2 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -127.2 | 134.4 | 163.5 | -88.3 | -34 | 0 | 0 | 0 | 111.5 | Q955 | Q955-D957 PolarHBondContact O-N 2.83Š| ||
| 958 | T | 23.9 | Very low | 23.1 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 142.2 | -166.4 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 959 | N | 23.1 | Very low | 23.2 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 34 | 98.6 | 140.5 | -69.4 | -20.1 | 0 | 0 | 0 | 118.1 | ||||
| 960 | T | 25.2 | Very low | 23.1 | Very low | 140 Ų | 140 | 144 Ų | 144 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -147.5 | 115.4 | 140.7 | 30.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 961 | P | 21.5 | Very low | 23.3 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | -84.2 | 177.6 | 166.6 | 34.1 | -26.8 | 0 | 0 | 0 | 109.9 | ||||
| 962 | I | 21.7 | Very low | 23.3 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | 88.7 | 104 | 171.5 | -38.7 | 163 | 0 | 0 | 0 | 113.4 | ||||
| 963 | Q | 23.8 | Very low | 23.8 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 174.9 | 113.7 | 104 | -88.4 | -176.3 | 4.6 | 0 | 0 | 110 | Q965 | Q963-Q965 PolarHBondContact O-N 3.41Š| |||
| 964 | T | 18.9 | Very low | 23.9 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -51.5 | 118.1 | 157.9 | 41.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 965 | Q | 24.9 | Very low | 24.3 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 111.1 | 156.8 | -77.6 | -166.8 | -6 | 0 | 0 | 109.6 | Q963 | Q963-Q965 PolarHBondContact O-N 3.41Š| ||
| 966 | S | 19.2 | Very low | 24.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 122.4 | 162.4 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 967 | S | 24.8 | Very low | 25 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -157.2 | 117.2 | 150.8 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | D969 | S967-D969 PolarHBondContact O-N 3.03Š| ||
| 968 | S | 22 | Very low | 25.2 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -46.4 | 124 | 165.6 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 969 | D | 27.4 | Very low | 25.6 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -133 | 114.9 | 147.2 | -97.8 | -32 | 0 | 0 | 0 | 109.5 | S967 Q971 | S967-D969 PolarHBondContact O-N 3.03Å; D969-Q971 PolarHBondContact O-N 2.84Å | ||
| 970 | N | 22.6 | Very low | 26 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -90.4 | 93.2 | -174 | -155.7 | 8.8 | 0 | 0 | 0 | 106.7 | ||||
| 971 | Q | 30.3 | Very low | 26 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | -125.9 | 98.2 | 167.8 | -71.8 | -168.4 | 4.5 | 0 | 0 | 109.2 | D969 P973 | D969-Q971 PolarHBondContact O-N 2.84Å; Q971-P973 VanDerWaalsContact O-CD 3.29Å; Q971-P973 WeakPolarHBondContact O-CD 3.24Å | ||
| 972 | N | 23.3 | Very low | 26.6 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | trans | -57 | 119.1 | 166 | -78.6 | -33.3 | 0 | 0 | 0 | 110 | T974 | N972-T974 PolarHBondContact O-N 3.41Š| ||
| 973 | P | 32 | Very low | 27.2 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -84 | 95.6 | 160.1 | 30 | -20.3 | 0 | 0 | 0 | 107.6 | Q971 | Q971-P973 VanDerWaalsContact O-CD 3.29Å; Q971-P973 WeakPolarHBondContact O-CD 3.24Å | ||
| 974 | T | 27.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | trans | -68.3 | 145.7 | 160 | 44.4 | 0 | 0 | 0 | 0 | 109.2 | N972 | N972-T974 PolarHBondContact O-N 3.41Š| ||
| 975 | N | 28.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | 92.5 | 56.7 | 173.6 | -50.3 | -24.2 | 0 | 0 | 0 | 117.3 | ||||
| 976 | F | 25.9 | Very low | 28.9 | Very low | 171 Ų | 171 | 110.4 Ų | 110.4 | 75% | 0.75 | 65% | 0.651 | S | S | * | * | trans | -86.6 | 121.5 | 146.2 | -79.6 | -81.1 | 0 | 0 | 0 | 108.8 | ||||
| 977 | S | 32.3 | Very low | 29.8 | Very low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | trans | -62.7 | 136.9 | 177.2 | 76 | 0 | 0 | 0 | 0 | 109.9 | A979 G980 | S977-A979 PolarHBondContact O-N 2.7Å; S977-G980 PolarHBondContact O-N 2.83Å | ||
| 978 | T | 32.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 110 Ų | 110 | 77% | 0.767 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.3 | -16.5 | -176.8 | 33.8 | 0 | 0 | 0 | 0 | 114.2 | S982 | T978-S982 PolarHBondContact O-N 3.12Å |
| 979 | A | 31.7 | Very low | 31.9 | Very low | 65 Ų | 65 | 106.8 Ų | 106.8 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75 | -27.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S977 S982 T983 | S977-A979 PolarHBondContact O-N 2.7Å; A979-S982 PolarHBondContact O-OG 3.35Å; A979-S982 VanDerWaalsContact O-OG 3.08Å; A979-T983 PolarHBondContact O-OG1 3.12Å |
| 980 | G | 30.8 | Very low | 33.1 | Very low | 34 Ų | 34 | 102.1 Ų | 102.1 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.6 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S977 T983 I984 | S977-G980 PolarHBondContact O-N 2.83Å; G980-T983 PolarHBondContact O-N 3.39Å; G980-I984 WeakPolarHBondContact O-CG1 3.34Å; G980-I984 PolarHBondContact O-N 3.48Å; G980-I984 VanDerWaalsContact O-N 3.12Å |
| 981 | L | 25.5 | Very low | 34.9 | Very low | 95 Ų | 95 | 98.9 Ų | 98.9 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | -179.8 | -71 | 171.3 | 0 | 0 | 0 | 112 | T983 I984 T985 | L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.75Å; L981-I984 PolarHBondContact O-N 3.22Å; L981-T985 WeakPolarHBondContact O-CB 3.39Å; L981-T985 PolarHBondContact O-N 2.85Å; L981-T985 PolarHBondContact O-OG1 3.46Å |
| 982 | S | 33.6 | Very low | 36.5 | Very low | 61 Ų | 61 | 93.4 Ų | 93.4 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | T978 A979 N986 | T978-S982 PolarHBondContact O-N 3.12Å; A979-S982 PolarHBondContact O-OG 3.35Å; A979-S982 VanDerWaalsContact O-OG 3.08Å; S982-N986 VanDerWaalsContact O-CB 3.28Å; S982-N986 WeakPolarHBondContact O-CB 3.44Å; S982-N986 PolarHBondContact O-N 3.21Å; S982-N986 PolarHBondContact O-ND2 3.06Å |
| 983 | T | 34.6 | Very low | 38.7 | Very low | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.423 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 177.7 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | A979 G980 L981 R987 | A979-T983 PolarHBondContact O-OG1 3.12Å; G980-T983 PolarHBondContact O-N 3.39Å; L981-T983 VanDerWaalsContact C-N 3.27Å; L981-T983 PolarHBondContact O-N 2.75Å; T983-R987 WeakPolarHBondContact O-CG 3.28Å; T983-R987 PolarHBondContact O-N 2.96Å |
| 984 | I | 32 | Very low | 40.6 | Very low | 92 Ų | 92 | 86.9 Ų | 86.9 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -43.9 | 177.6 | -65.8 | 168.8 | 0 | 0 | 0 | 111 | G980 L981 N986 R987 I988 | G980-I984 WeakPolarHBondContact O-CG1 3.34Å; G980-I984 PolarHBondContact O-N 3.48Å; G980-I984 VanDerWaalsContact O-N 3.12Å; L981-I984 PolarHBondContact O-N 3.22Å; I984-N986 VanDerWaalsContact C-N 3.34Å; I984-N986 PolarHBondContact O-N 3.18Å; I984-R987 WeakPolarHBondContact O-CB 3.19Å; I984-R987 PolarHBondContact O-N 3.04Å; I984-I988 HydrophobicContact CG2-CD1 3.78Å; I984-I988 HydrophobicContact CG2-CG1 4.37Å; I984-I988 WeakPolarHBondContact O-CG1 3.38Å; I984-I988 PolarHBondContact O-N 2.8Å |
| 985 | T | 34.3 | Very low | 43 | Very low | 79 Ų | 79 | 85.3 Ų | 85.3 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | L981 R987 I988 S989 | L981-T985 WeakPolarHBondContact O-CB 3.39Å; L981-T985 PolarHBondContact O-N 2.85Å; L981-T985 PolarHBondContact O-OG1 3.46Å; T985-R987 VanDerWaalsContact C-N 3.34Å; T985-R987 PolarHBondContact O-N 3.16Å; T985-I988 PolarHBondContact O-N 2.87Å; T985-S989 WeakPolarHBondContact O-CB 3.35Å; T985-S989 PolarHBondContact O-N 2.85Å; T985-S989 PolarHBondContact O-OG 3Å; T985-S989 VanDerWaalsContact O-OG 3.09Å |
| 986 | N | 36.8 | Very low | 45.4 | Very low | 105 Ų | 105 | 82 Ų | 82 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -40.2 | 175 | -73.7 | -9.1 | 0 | 0 | 0 | 112.1 | S982 I984 S990 | S982-N986 VanDerWaalsContact O-CB 3.28Å; S982-N986 WeakPolarHBondContact O-CB 3.44Å; S982-N986 PolarHBondContact O-N 3.21Å; S982-N986 PolarHBondContact O-ND2 3.06Å; I984-N986 VanDerWaalsContact C-N 3.34Å; I984-N986 PolarHBondContact O-N 3.18Å; N986-S990 WeakPolarHBondContact O-CB 3.38Å; N986-S990 PolarHBondContact O-N 2.78Å; N986-S990 PolarHBondContact O-OG 3Å; N986-S990 VanDerWaalsContact O-OG 3.04Å |
| 987 | R | 38.2 | Very low | 48 | Very low | 134 Ų | 134 | 75.1 Ų | 75.1 | 51% | 0.506 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 174.2 | -79.1 | -175.6 | -157.1 | 175.9 | 6.8 | 111.9 | T983 I984 T985 S990 T991 | T983-R987 WeakPolarHBondContact O-CG 3.28Å; T983-R987 PolarHBondContact O-N 2.96Å; I984-R987 WeakPolarHBondContact O-CB 3.19Å; I984-R987 PolarHBondContact O-N 3.04Å; T985-R987 VanDerWaalsContact C-N 3.34Å; T985-R987 PolarHBondContact O-N 3.16Å; R987-S990 PolarHBondContact O-N 2.96Å; R987-T991 WeakPolarHBondContact O-CG2 3.32Å; R987-T991 PolarHBondContact O-N 2.81Å; R987-T991 PolarHBondContact O-OG1 2.87Å |
| 988 | I | 44.8 | Very low | 50.5 | Low | 86 Ų | 86 | 73.5 Ų | 73.5 | 44% | 0.441 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | -178.8 | -65.1 | 167.4 | 0 | 0 | 0 | 110.3 | I984 T985 T991 N992 | I984-I988 HydrophobicContact CG2-CD1 3.78Å; I984-I988 HydrophobicContact CG2-CG1 4.37Å; I984-I988 WeakPolarHBondContact O-CG1 3.38Å; I984-I988 PolarHBondContact O-N 2.8Å; T985-I988 PolarHBondContact O-N 2.87Å; I988-T991 WeakPolarHBondContact CA-OG1 3.47Å; I988-T991 PolarHBondContact O-N 3.17Å; I988-T991 PolarHBondContact O-OG1 2.79Å; I988-N992 WeakPolarHBondContact O-CB 3.32Å; I988-N992 PolarHBondContact O-N 2.88Å; I988-N992 PolarHBondContact O-OD1 2.73Å |
| 989 | S | 47.2 | Very low | 53.1 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 112 | T985 N992 I993 | T985-S989 WeakPolarHBondContact O-CB 3.35Å; T985-S989 PolarHBondContact O-N 2.85Å; T985-S989 PolarHBondContact O-OG 3Å; T985-S989 VanDerWaalsContact O-OG 3.09Å; S989-N992 PolarHBondContact O-N 3.38Å; S989-I993 WeakPolarHBondContact O-CD1 3.34Å; S989-I993 VanDerWaalsContact O-CG1 3.23Å; S989-I993 WeakPolarHBondContact O-CG1 3.35Å; S989-I993 PolarHBondContact O-N 3.04Å; S989-I993 VanDerWaalsContact O-N 3.07Å |
| 990 | S | 51.9 | Low | 55.8 | Low | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | N986 R987 I993 L994 | N986-S990 WeakPolarHBondContact O-CB 3.38Å; N986-S990 PolarHBondContact O-N 2.78Å; N986-S990 PolarHBondContact O-OG 3Å; N986-S990 VanDerWaalsContact O-OG 3.04Å; R987-S990 PolarHBondContact O-N 2.96Å; S990-I993 PolarHBondContact O-N 3.06Å; S990-L994 PolarHBondContact O-N 3.16Å |
| 991 | T | 59.5 | Low | 58.7 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 112 | R987 I988 F995 | R987-T991 WeakPolarHBondContact O-CG2 3.32Å; R987-T991 PolarHBondContact O-N 2.81Å; R987-T991 PolarHBondContact O-OG1 2.87Å; I988-T991 WeakPolarHBondContact CA-OG1 3.47Å; I988-T991 PolarHBondContact O-N 3.17Å; I988-T991 PolarHBondContact O-OG1 2.79Å; T991-F995 VanDerWaalsContact O-CB 3.27Å; T991-F995 WeakPolarHBondContact O-CB 3.27Å; T991-F995 PolarHBondContact O-N 3Å |
| 992 | N | 65.3 | Low | 61.8 | Low | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 177.8 | -71 | -3.2 | 0 | 0 | 0 | 111.4 | I988 S989 F995 H996 | I988-N992 WeakPolarHBondContact O-CB 3.32Å; I988-N992 PolarHBondContact O-N 2.88Å; I988-N992 PolarHBondContact O-OD1 2.73Å; S989-N992 PolarHBondContact O-N 3.38Å; N992-F995 WeakPolarHBondContact O-CB 3.21Å; N992-F995 PolarHBondContact O-N 3.17Å; N992-H996 PolarHBondContact O-CD2 3.04Å; N992-H996 PolarHBondContact O-N 2.62Å |
| 993 | I | 68.7 | Low | 64.5 | Low | 71 Ų | 71 | 62.5 Ų | 62.5 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.7 | -66.5 | 160.7 | 0 | 0 | 0 | 110.8 | S989 S990 F995 H996 H997 | S989-I993 WeakPolarHBondContact O-CD1 3.34Å; S989-I993 VanDerWaalsContact O-CG1 3.23Å; S989-I993 WeakPolarHBondContact O-CG1 3.35Å; S989-I993 PolarHBondContact O-N 3.04Å; S989-I993 VanDerWaalsContact O-N 3.07Å; S990-I993 PolarHBondContact O-N 3.06Å; I993-F995 VanDerWaalsContact C-N 3.33Å; I993-F995 PolarHBondContact O-N 2.92Å; I993-H996 PolarHBondContact O-N 3.27Å; I993-H997 PolarHBondContact O-CD2 2.9Å; I993-H997 PolarHBondContact O-N 2.86Å |
| 994 | L | 71.8 | Confident | 67.2 | Low | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178 | -76 | 169 | 0 | 0 | 0 | 111.9 | Q935 S990 H996 H997 V998 | Q935-L994 VanDerWaalsContact NE2-CD1 3.32Å; S990-L994 PolarHBondContact O-N 3.16Å; L994-H996 VanDerWaalsContact C-N 3.34Å; L994-H996 PolarHBondContact O-N 3.01Å; L994-H997 PolarHBondContact O-N 2.78Å; L994-V998 WeakPolarHBondContact O-CB 3.25Å; L994-V998 VanDerWaalsContact O-CG2 3.27Å; L994-V998 WeakPolarHBondContact O-CG2 3.32Å; L994-V998 PolarHBondContact O-N 3.36Å |
| 995 | F | 77.5 | Confident | 70 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 175.7 | -179.2 | -93 | 0 | 0 | 0 | 112 | T991 N992 I993 S999 A1030 D1031 | T991-F995 VanDerWaalsContact O-CB 3.27Å; T991-F995 WeakPolarHBondContact O-CB 3.27Å; T991-F995 PolarHBondContact O-N 3Å; N992-F995 WeakPolarHBondContact O-CB 3.21Å; N992-F995 PolarHBondContact O-N 3.17Å; I993-F995 VanDerWaalsContact C-N 3.33Å; I993-F995 PolarHBondContact O-N 2.92Å; F995-S999 WeakPolarHBondContact O-CB 3.4Å; F995-S999 PolarHBondContact O-N 2.97Å; F995-S999 PolarHBondContact O-OG 3.07Å; F995-A1030 HydrophobicContact CE2-CB 3.77Å; F995-A1030 HydrophobicContact CZ-CB 3.78Å; F995-D1031 HydrophobicContact CE1-CB 4.1Å; F995-D1031 HydrophobicContact CZ-CB 4.02Å |
| 996 | H | 78.7 | Confident | 72.7 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176 | -74.5 | -59.4 | 0 | 0 | 0 | 112.3 | N992 I993 L994 V998 S999 E1000 | N992-H996 PolarHBondContact O-CD2 3.04Å; N992-H996 PolarHBondContact O-N 2.62Å; I993-H996 PolarHBondContact O-N 3.27Å; L994-H996 VanDerWaalsContact C-N 3.34Å; L994-H996 PolarHBondContact O-N 3.01Å; H996-V998 PolarHBondContact O-N 2.8Å; H996-S999 PolarHBondContact O-N 2.7Å; H996-E1000 WeakPolarHBondContact O-CG 3.46Å; H996-E1000 PolarHBondContact O-N 3.16Å |
| 997 | H | 81.4 | Confident | 75.3 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 12% | 0.116 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 178.4 | -69.2 | -176 | 0 | 0 | 0 | 112.5 | R897 I902 I993 L994 E1000 Y1001 | R897-H997 PolarHBondContact O-NE2 2.81Å; I902-H997 HydrophobicContact CD1-CB 4.02Å; I902-H997 VanDerWaalsContact CD1-O 3.31Å; I902-H997 WeakPolarHBondContact CD1-O 3.5Å; I993-H997 PolarHBondContact O-CD2 2.9Å; I993-H997 PolarHBondContact O-N 2.86Å; L994-H997 PolarHBondContact O-N 2.78Å; H997-E1000 PolarHBondContact O-N 2.75Å; H997-Y1001 WeakPolarHBondContact O-CB 3.42Å; H997-Y1001 PolarHBondContact O-N 3.5Å |
| 998 | V | 84.5 | Confident | 77.8 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111 | L994 H996 Y1001 H1002 | L994-V998 WeakPolarHBondContact O-CB 3.25Å; L994-V998 VanDerWaalsContact O-CG2 3.27Å; L994-V998 WeakPolarHBondContact O-CG2 3.32Å; L994-V998 PolarHBondContact O-N 3.36Å; H996-V998 PolarHBondContact O-N 2.8Å; V998-Y1001 WeakPolarHBondContact O-CB 3.45Å; V998-Y1001 PolarHBondContact O-N 2.68Å; V998-H1002 PolarHBondContact O-CD2 2.52Å; V998-H1002 PolarHBondContact O-N 3.16Å |
| 999 | S | 86.3 | Confident | 79.9 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 12% | 0.119 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | F995 H996 H1002 L1003 | F995-S999 WeakPolarHBondContact O-CB 3.4Å; F995-S999 PolarHBondContact O-N 2.97Å; F995-S999 PolarHBondContact O-OG 3.07Å; H996-S999 PolarHBondContact O-N 2.7Å; S999-H1002 PolarHBondContact O-N 3.28Å; S999-L1003 WeakPolarHBondContact O-CB 3.45Å; S999-L1003 PolarHBondContact O-N 3.45Å |
| 1000 | E | 88.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.5 | -72.2 | -61.6 | 148.3 | 0 | 0 | 112.3 | M898 I902 H996 H997 L1003 L1004 | M898-E1000 HydrophobicContact SD-CG 4.43Å; I902-E1000 HydrophobicContact CD1-CB 4.33Å; I902-E1000 HydrophobicContact CG2-CB 4.03Å; H996-E1000 WeakPolarHBondContact O-CG 3.46Å; H996-E1000 PolarHBondContact O-N 3.16Å; H997-E1000 PolarHBondContact O-N 2.75Å; E1000-L1003 PolarHBondContact O-N 3.41Å; E1000-L1004 WeakPolarHBondContact O-CG 3.39Å; E1000-L1004 PolarHBondContact O-N 2.88Å |
| 1001 | Y | 90.9 | Very high | 83.3 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 12% | 0.122 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.7 | -52.3 | 173.1 | 169 | -93.9 | 0 | 0 | 0 | 111.2 | L921 E924 L925 H997 V998 L1003 L1004 C1005 | L921-Y1001 HydrophobicContact CB-CD2 4.48Å; L921-Y1001 HydrophobicContact CB-CE2 3.93Å; L921-Y1001 HydrophobicContact CD2-CD2 3.79Å; L921-Y1001 HydrophobicContact CD2-CE2 4.07Å; L921-Y1001 WeakPolarHBondContact O-CE2 3.34Å; E924-Y1001 HydrophobicContact CB-CD2 4.32Å; E924-Y1001 HydrophobicContact CG-CD2 3.98Å; L925-Y1001 HydrophobicContact CB-CE2 4.37Å; H997-Y1001 WeakPolarHBondContact O-CB 3.42Å; H997-Y1001 PolarHBondContact O-N 3.5Å; V998-Y1001 WeakPolarHBondContact O-CB 3.45Å; V998-Y1001 PolarHBondContact O-N 2.68Å; Y1001-L1003 VanDerWaalsContact C-N 3.29Å; Y1001-L1003 PolarHBondContact O-N 2.87Å; Y1001-L1004 PolarHBondContact O-N 3.03Å; Y1001-C1005 PolarHBondContact O-N 3.08Å; Y1001-C1005 PolarHBondContact O-SG 3.1Å; Y1001-C1005 VanDerWaalsContact O-SG 3.32Å |
| 1002 | H | 90.5 | Very high | 84.4 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 178.3 | -74.9 | -65.3 | 0 | 0 | 0 | 112.3 | V998 S999 C1005 A1006 N1023 I1027 | V998-H1002 PolarHBondContact O-CD2 2.52Å; V998-H1002 PolarHBondContact O-N 3.16Å; S999-H1002 PolarHBondContact O-N 3.28Å; H1002-C1005 PolarHBondContact O-N 3.15Å; H1002-A1006 WeakPolarHBondContact O-CB 3.32Å; H1002-A1006 PolarHBondContact O-N 3.16Å; H1002-N1023 HydrophobicContact CB-CB 4.48Å; H1002-N1023 PolarHBondContact ND1-OD1 3.34Å; H1002-I1027 HydrophobicContact CB-CD1 3.8Å; H1002-I1027 HydrophobicContact CB-CG1 3.71Å |
| 1003 | L | 91.4 | Very high | 84.7 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.5 | -179.2 | 63.3 | 0 | 0 | 0 | 111.1 | S999 E1000 Y1001 A1006 R1007 I1027 E1036 C1040 | S999-L1003 WeakPolarHBondContact O-CB 3.45Å; S999-L1003 PolarHBondContact O-N 3.45Å; E1000-L1003 PolarHBondContact O-N 3.41Å; Y1001-L1003 VanDerWaalsContact C-N 3.29Å; Y1001-L1003 PolarHBondContact O-N 2.87Å; L1003-A1006 PolarHBondContact O-N 3.01Å; L1003-R1007 WeakPolarHBondContact O-CG 3.21Å; L1003-R1007 PolarHBondContact O-N 2.77Å; L1003-I1027 HydrophobicContact CB-CD1 3.91Å; L1003-E1036 HydrophobicContact CD1-CB 4.02Å; L1003-E1036 HydrophobicContact CD2-CB 3.65Å; L1003-E1036 HydrophobicContact CD2-CG 4.12Å; L1003-C1040 HydrophobicContact CD1-CB 4.28Å |
| 1004 | L | 91.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 175.4 | -70.5 | 176.4 | 0 | 0 | 0 | 111.9 | I902 A905 E906 L909 L921 E1000 Y1001 R1007 L1008 | I902-L1004 HydrophobicContact CB-CD1 4.46Å; I902-L1004 HydrophobicContact CG2-CD1 3.75Å; A905-L1004 HydrophobicContact CB-CD1 3.92Å; E906-L1004 HydrophobicContact CB-CD2 4.18Å; L909-L1004 HydrophobicContact CD2-CD2 3.71Å; L921-L1004 HydrophobicContact CD1-CB 4.42Å; L921-L1004 HydrophobicContact CD2-CB 4Å; L921-L1004 HydrophobicContact CD2-CD1 4.19Å; E1000-L1004 WeakPolarHBondContact O-CG 3.39Å; E1000-L1004 PolarHBondContact O-N 2.88Å; Y1001-L1004 PolarHBondContact O-N 3.03Å; L1004-R1007 PolarHBondContact O-N 3.07Å; L1004-L1008 VanDerWaalsContact O-CB 3.26Å; L1004-L1008 WeakPolarHBondContact O-CB 3.08Å; L1004-L1008 PolarHBondContact O-N 3.3Å |
| 1005 | C | 91.2 | Very high | 85 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.095 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 171.8 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | Y1001 H1002 R1007 L1008 S1009 | Y1001-C1005 PolarHBondContact O-N 3.08Å; Y1001-C1005 PolarHBondContact O-SG 3.1Å; Y1001-C1005 VanDerWaalsContact O-SG 3.32Å; H1002-C1005 PolarHBondContact O-N 3.15Å; C1005-R1007 PolarHBondContact O-N 3.35Å; C1005-L1008 PolarHBondContact O-N 2.99Å; C1005-S1009 PolarHBondContact O-N 3.16Å; C1005-S1009 PolarHBondContact O-OG 2.8Å |
| 1006 | A | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1002 L1003 S1009 M1010 N1023 A1024 | H1002-A1006 WeakPolarHBondContact O-CB 3.32Å; H1002-A1006 PolarHBondContact O-N 3.16Å; L1003-A1006 PolarHBondContact O-N 3.01Å; A1006-S1009 PolarHBondContact O-N 3.26Å; A1006-M1010 WeakPolarHBondContact O-CB 3.2Å; A1006-M1010 PolarHBondContact O-N 2.93Å; A1006-N1023 HydrophobicContact CB-CB 3.96Å; A1006-A1024 HydrophobicContact CB-CB 4.41Å |
| 1007 | R | 91.5 | Very high | 85.6 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.8 | -69 | 170.3 | 66.2 | -165.8 | -2.1 | 112.1 | L909 D910 L1003 L1004 C1005 M1010 N1011 | L909-R1007 HydrophobicContact CD2-CB 3.64Å; D910-R1007 IonicContact OD1-CZ 3.53Å; D910-R1007 IonicContact OD1-NH2 2.63Å; D910-R1007 PolarHBondContact OD1-NH2 3.3Å; L1003-R1007 WeakPolarHBondContact O-CG 3.21Å; L1003-R1007 PolarHBondContact O-N 2.77Å; L1004-R1007 PolarHBondContact O-N 3.07Å; C1005-R1007 PolarHBondContact O-N 3.35Å; R1007-M1010 PolarHBondContact O-N 3.17Å; R1007-N1011 WeakPolarHBondContact O-CB 3.34Å; R1007-N1011 PolarHBondContact O-N 3.45Å; R1007-N1011 PolarHBondContact O-ND2 2.94Å |
| 1008 | L | 90.9 | Very high | 86 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.12 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 175.7 | 176.1 | 63.8 | 0 | 0 | 0 | 110.8 | L909 Y914 V917 L921 L1004 C1005 M1010 N1011 S1012 | L909-L1008 HydrophobicContact CD1-CB 4.47Å; L909-L1008 HydrophobicContact CD1-CD1 4.41Å; Y914-L1008 HydrophobicContact CD1-CD1 3.79Å; Y914-L1008 HydrophobicContact CG-CD1 4.18Å; V917-L1008 HydrophobicContact CB-CD1 4.11Å; V917-L1008 HydrophobicContact CG1-CB 4.46Å; V917-L1008 HydrophobicContact CG1-CD1 4.08Å; V917-L1008 HydrophobicContact CG1-CD2 4.05Å; V917-L1008 HydrophobicContact CG1-CG 4.43Å; L921-L1008 HydrophobicContact CD1-CD2 4.03Å; L1004-L1008 VanDerWaalsContact O-CB 3.26Å; L1004-L1008 WeakPolarHBondContact O-CB 3.08Å; L1004-L1008 PolarHBondContact O-N 3.3Å; C1005-L1008 PolarHBondContact O-N 2.99Å; L1008-M1010 VanDerWaalsContact C-N 3.27Å; L1008-M1010 PolarHBondContact O-N 3.47Å; L1008-N1011 PolarHBondContact O-N 2.95Å; L1008-S1012 WeakPolarHBondContact O-CA 3.39Å; L1008-S1012 WeakPolarHBondContact O-CB 3.18Å; L1008-S1012 PolarHBondContact O-N 3.4Å |
| 1009 | S | 88.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -30.3 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | C1005 A1006 D1016 E1019 | C1005-S1009 PolarHBondContact O-N 3.16Å; C1005-S1009 PolarHBondContact O-OG 2.8Å; A1006-S1009 PolarHBondContact O-N 3.26Å; S1009-D1016 PolarHBondContact O-N 3.14Å; S1009-E1019 PolarHBondContact OG-OE2 2.97Å |
| 1010 | M | 87.1 | Confident | 86.2 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 11% | 0.108 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 171.9 | -172.7 | 179.7 | 69.2 | 0 | 0 | 113.1 | A1006 R1007 L1008 H1043 L1044 I1047 | A1006-M1010 WeakPolarHBondContact O-CB 3.2Å; A1006-M1010 PolarHBondContact O-N 2.93Å; R1007-M1010 PolarHBondContact O-N 3.17Å; L1008-M1010 VanDerWaalsContact C-N 3.27Å; L1008-M1010 PolarHBondContact O-N 3.47Å; M1010-H1043 HydrophobicContact SD-CB 4.02Å; M1010-L1044 HydrophobicContact CB-CD2 3.89Å; M1010-L1044 HydrophobicContact CG-CD2 3.78Å; M1010-L1044 HydrophobicContact SD-CD2 4.15Å; M1010-L1044 HydrophobicContact SD-CG 4.4Å; M1010-I1047 HydrophobicContact CG-CD1 3.99Å; M1010-I1047 HydrophobicContact SD-CD1 4.07Å |
| 1011 | N | 84.3 | Confident | 86.3 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -92.4 | -14.7 | -173.4 | -68.8 | -31.3 | 0 | 0 | 0 | 113.7 | Y914 R1007 L1008 | Y914-N1011 HydrophobicContact CD1-CB 4.5Å; Y914-N1011 HydrophobicContact CE1-CB 3.57Å; Y914-N1011 WeakPolarHBondContact CE2-O 3.45Å; Y914-N1011 VanDerWaalsContact CZ-O 3.23Å; Y914-N1011 PolarHBondContact OH-O 3.02Å; R1007-N1011 WeakPolarHBondContact O-CB 3.34Å; R1007-N1011 PolarHBondContact O-N 3.45Å; R1007-N1011 PolarHBondContact O-ND2 2.94Å; L1008-N1011 PolarHBondContact O-N 2.95Å |
| 1012 | S | 82.7 | Confident | 86.3 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -61 | 149.2 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L1008 K1014 Q1015 | L1008-S1012 WeakPolarHBondContact O-CA 3.39Å; L1008-S1012 WeakPolarHBondContact O-CB 3.18Å; L1008-S1012 PolarHBondContact O-N 3.4Å; S1012-K1014 PolarHBondContact O-N 3.2Å; S1012-K1014 VanDerWaalsContact O-N 3.1Å; S1012-Q1015 WeakPolarHBondContact O-CG 3.46Å; S1012-Q1015 PolarHBondContact O-N 3.02Å |
| 1013 | Y | 71.4 | Confident | 86.4 | Confident | 110 Ų | 110 | 55.3 Ų | 55.3 | 43% | 0.431 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.1 | -177.4 | -59.4 | -62.4 | 0 | 0 | 0 | 114.8 | L681 N684 Y914 | L681-Y1013 PolarHBondContact O-OH 3.1Å; L681-Y1013 VanDerWaalsContact O-OH 3.09Å; N684-Y1013 WeakPolarHBondContact CA-OH 3.39Å; N684-Y1013 HydrophobicContact CB-CD1 4.38Å; N684-Y1013 HydrophobicContact CB-CE1 3.52Å; N684-Y1013 HydrophobicContact CB-CE2 4.49Å; N684-Y1013 WeakPolarHBondContact CB-OH 3.31Å; N684-Y1013 PolarHBondContact OD1-OH 3.31Å; N684-Y1013 VanDerWaalsContact OD1-OH 3.04Å; Y914-Y1013 HydrophobicContact CD2-CD2 4.35Å; Y914-Y1013 AromaticContact CD2-CE2 3.86Å; Y914-Y1013 HydrophobicContact CD2-CE2 3.86Å; Y914-Y1013 AromaticContact CD2-CZ 3.99Å; Y914-Y1013 HydrophobicContact CE2-CE1 4.28Å; Y914-Y1013 HydrophobicContact CE2-CE2 4.34Å |
| 1014 | K | 72.3 | Confident | 86.4 | Confident | 195 Ų | 195 | 54.8 Ų | 54.8 | 85% | 0.848 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.7 | 177.9 | -70.1 | -175 | 178.8 | 178.6 | 0 | 113.6 | S1012 D1016 | S1012-K1014 PolarHBondContact O-N 3.2Å; S1012-K1014 VanDerWaalsContact O-N 3.1Å; K1014-D1016 PolarHBondContact O-N 3.31Å |
| 1015 | Q | 74.7 | Confident | 86.4 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | trans | 39 | 66.9 | -175.7 | -66.8 | -173.5 | -16 | 0 | 0 | 112.6 | S1012 L1017 | S1012-Q1015 WeakPolarHBondContact O-CG 3.46Å; S1012-Q1015 PolarHBondContact O-N 3.02Å; Q1015-L1017 VanDerWaalsContact C-N 3.3Å; Q1015-L1017 PolarHBondContact O-N 2.82Å | ||
| 1016 | D | 82.7 | Confident | 86.4 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | -79.1 | 84.6 | 174.8 | -162.6 | -25.9 | 0 | 0 | 0 | 109.9 | S1009 K1014 S1018 E1019 A1020 | S1009-D1016 PolarHBondContact O-N 3.14Å; K1014-D1016 PolarHBondContact O-N 3.31Å; D1016-S1018 PolarHBondContact O-N 3.43Å; D1016-S1018 PolarHBondContact OD1-N 2.57Å; D1016-E1019 HydrophobicContact CB-CB 4.44Å; D1016-E1019 PolarHBondContact OD1-N 3.36Å; D1016-A1020 PolarHBondContact O-N 3.5Å | ||
| 1017 | L | 85.5 | Confident | 86.4 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -24.9 | -178.1 | -57.7 | -179.3 | 0 | 0 | 0 | 112.4 | Q1015 E1021 L1044 I1047 A1048 | Q1015-L1017 VanDerWaalsContact C-N 3.3Å; Q1015-L1017 PolarHBondContact O-N 2.82Å; L1017-E1021 VanDerWaalsContact O-CB 3.29Å; L1017-E1021 WeakPolarHBondContact O-CB 3.38Å; L1017-E1021 PolarHBondContact O-N 3.48Å; L1017-L1044 HydrophobicContact CD2-CD2 3.94Å; L1017-I1047 HydrophobicContact CD1-CG2 4.16Å; L1017-I1047 HydrophobicContact CD2-CG2 4.12Å; L1017-A1048 HydrophobicContact CD1-CB 4.49Å |
| 1018 | S | 88.8 | Confident | 86.3 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -73.4 | -45.7 | -176.4 | -55.2 | 0 | 0 | 0 | 0 | 111 | D1016 A1020 E1021 F1022 | D1016-S1018 PolarHBondContact O-N 3.43Å; D1016-S1018 PolarHBondContact OD1-N 2.57Å; S1018-A1020 VanDerWaalsContact C-N 3.33Å; S1018-E1021 PolarHBondContact O-N 3.24Å; S1018-F1022 PolarHBondContact O-N 3.41Å |
| 1019 | E | 87 | Confident | 86.3 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.5 | -177.2 | -178.1 | -148.4 | 0 | 0 | 111.3 | S1009 D1016 E1021 F1022 N1023 | S1009-E1019 PolarHBondContact OG-OE2 2.97Å; D1016-E1019 HydrophobicContact CB-CB 4.44Å; D1016-E1019 PolarHBondContact OD1-N 3.36Å; E1019-E1021 PolarHBondContact O-N 3.5Å; E1019-F1022 PolarHBondContact O-N 2.98Å; E1019-N1023 PolarHBondContact O-N 3.08Å; E1019-N1023 PolarHBondContact O-ND2 3.05Å |
| 1020 | A | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | D1016 S1018 N1023 A1024 L1044 | D1016-A1020 PolarHBondContact O-N 3.5Å; S1018-A1020 VanDerWaalsContact C-N 3.33Å; A1020-N1023 PolarHBondContact O-N 3.18Å; A1020-A1024 WeakPolarHBondContact O-CB 3.35Å; A1020-A1024 PolarHBondContact O-N 2.81Å; A1020-L1044 HydrophobicContact CB-CD1 3.64Å; A1020-L1044 HydrophobicContact CB-CD2 3.51Å; A1020-L1044 HydrophobicContact CB-CG 4.23Å |
| 1021 | E | 90.9 | Very high | 86.1 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.3 | -179.1 | -176.5 | 154.3 | 0 | 0 | 111.9 | L1017 S1018 E1019 A1024 S1025 L1041 R1045 | L1017-E1021 VanDerWaalsContact O-CB 3.29Å; L1017-E1021 WeakPolarHBondContact O-CB 3.38Å; L1017-E1021 PolarHBondContact O-N 3.48Å; S1018-E1021 PolarHBondContact O-N 3.24Å; E1019-E1021 PolarHBondContact O-N 3.5Å; E1021-A1024 PolarHBondContact O-N 2.8Å; E1021-S1025 VanDerWaalsContact O-CB 3.28Å; E1021-S1025 WeakPolarHBondContact O-CB 3.36Å; E1021-S1025 PolarHBondContact O-N 2.85Å; E1021-S1025 PolarHBondContact O-OG 2.81Å; E1021-L1041 HydrophobicContact CG-CD1 4.16Å; E1021-R1045 IonicContact OE1-CZ 3.63Å; E1021-R1045 IonicContact OE1-NH1 3.16Å; E1021-R1045 PolarHBondContact OE1-NH1 3.39Å; E1021-R1045 IonicContact OE1-NH2 2.7Å; E1021-R1045 PolarHBondContact OE1-NH2 3.23Å; E1021-R1045 IonicContact OE2-CZ 2.98Å; E1021-R1045 IonicContact OE2-NH1 3.39Å; E1021-R1045 PolarHBondContact OE2-NH1 2.99Å; E1021-R1045 IonicContact OE2-NH2 3.46Å |
| 1022 | F | 92.4 | Very high | 86.2 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 61% | 0.614 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.9 | -50 | 177.1 | 175.5 | -101 | 0 | 0 | 0 | 111.6 | S1018 E1019 S1025 L1026 | S1018-F1022 PolarHBondContact O-N 3.41Å; E1019-F1022 PolarHBondContact O-N 2.98Å; F1022-S1025 PolarHBondContact O-N 3.19Å; F1022-L1026 PolarHBondContact O-N 3.21Å |
| 1023 | N | 90.9 | Very high | 86.4 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 178.9 | -77.7 | -77 | 0 | 0 | 0 | 112.1 | H1002 A1006 E1019 A1020 S1025 L1026 I1027 | H1002-N1023 HydrophobicContact CB-CB 4.48Å; H1002-N1023 PolarHBondContact ND1-OD1 3.34Å; A1006-N1023 HydrophobicContact CB-CB 3.96Å; E1019-N1023 PolarHBondContact O-N 3.08Å; E1019-N1023 PolarHBondContact O-ND2 3.05Å; A1020-N1023 PolarHBondContact O-N 3.18Å; N1023-S1025 PolarHBondContact O-N 2.97Å; N1023-L1026 PolarHBondContact O-N 3.35Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; N1023-I1027 PolarHBondContact O-N 2.84Å |
| 1024 | A | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1006 A1020 E1021 I1027 I1028 L1041 L1044 | A1006-A1024 HydrophobicContact CB-CB 4.41Å; A1020-A1024 WeakPolarHBondContact O-CB 3.35Å; A1020-A1024 PolarHBondContact O-N 2.81Å; E1021-A1024 PolarHBondContact O-N 2.8Å; A1024-I1027 PolarHBondContact O-N 3.48Å; A1024-I1028 WeakPolarHBondContact O-CG1 3.37Å; A1024-I1028 PolarHBondContact O-N 3.42Å; A1024-L1041 HydrophobicContact CB-CB 4.27Å; A1024-L1044 HydrophobicContact CB-CD1 4.37Å |
| 1025 | S | 92.1 | Very high | 88.1 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.9 | -57.4 | 0 | 0 | 0 | 0 | 112 | E1021 F1022 N1023 I1027 I1028 E1029 | E1021-S1025 VanDerWaalsContact O-CB 3.28Å; E1021-S1025 WeakPolarHBondContact O-CB 3.36Å; E1021-S1025 PolarHBondContact O-N 2.85Å; E1021-S1025 PolarHBondContact O-OG 2.81Å; F1022-S1025 PolarHBondContact O-N 3.19Å; N1023-S1025 PolarHBondContact O-N 2.97Å; S1025-I1027 VanDerWaalsContact C-N 3.31Å; S1025-I1027 PolarHBondContact O-N 2.98Å; S1025-I1028 PolarHBondContact O-N 2.85Å; S1025-E1029 PolarHBondContact O-N 2.71Å |
| 1026 | L | 91.6 | Very high | 88.8 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.1 | -176.9 | 65.4 | 0 | 0 | 0 | 112 | F1022 N1023 E1029 A1030 | F1022-L1026 PolarHBondContact O-N 3.21Å; N1023-L1026 PolarHBondContact O-N 3.35Å; L1026-E1029 PolarHBondContact O-N 3.14Å; L1026-A1030 WeakPolarHBondContact O-CB 3.14Å; L1026-A1030 PolarHBondContact O-N 3.28Å; L1026-A1030 VanDerWaalsContact O-N 3.1Å |
| 1027 | I | 90 | Very high | 89.1 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.9 | -56.8 | 159.1 | 0 | 0 | 0 | 110.5 | H1002 L1003 N1023 A1024 S1025 E1029 A1030 D1031 A1034 A1037 | H1002-I1027 HydrophobicContact CB-CD1 3.8Å; H1002-I1027 HydrophobicContact CB-CG1 3.71Å; L1003-I1027 HydrophobicContact CB-CD1 3.91Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; N1023-I1027 PolarHBondContact O-N 2.84Å; A1024-I1027 PolarHBondContact O-N 3.48Å; S1025-I1027 VanDerWaalsContact C-N 3.31Å; S1025-I1027 PolarHBondContact O-N 2.98Å; I1027-E1029 VanDerWaalsContact C-N 3.35Å; I1027-E1029 PolarHBondContact O-N 3.01Å; I1027-A1030 PolarHBondContact O-N 2.59Å; I1027-D1031 PolarHBondContact O-N 2.91Å; I1027-A1034 HydrophobicContact CG2-CB 4.02Å; I1027-A1037 HydrophobicContact CB-CB 3.82Å; I1027-A1037 HydrophobicContact CD1-CB 4.31Å; I1027-A1037 HydrophobicContact CG2-CB 3.58Å |
| 1028 | I | 90 | Very high | 89.5 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -36.9 | -179.9 | -67.7 | 165.2 | 0 | 0 | 0 | 111.7 | A1024 S1025 A1030 D1031 P1032 A1037 W1038 L1041 | A1024-I1028 WeakPolarHBondContact O-CG1 3.37Å; A1024-I1028 PolarHBondContact O-N 3.42Å; S1025-I1028 PolarHBondContact O-N 2.85Å; I1028-A1030 VanDerWaalsContact C-N 3.3Å; I1028-D1031 CarbonylContact O-C 3.55Å; I1028-P1032 WeakPolarHBondContact O-CA 3.43Å; I1028-A1037 HydrophobicContact CD1-CB 4.44Å; I1028-A1037 HydrophobicContact CG1-CB 3.79Å; I1028-W1038 HydrophobicContact CD1-CD2 3.87Å; I1028-W1038 HydrophobicContact CD1-CE3 4.02Å; I1028-W1038 HydrophobicContact CD1-CG 4.21Å; I1028-W1038 HydrophobicContact CD1-CZ3 4.43Å; I1028-W1038 HydrophobicContact CG1-CD2 4.23Å; I1028-W1038 HydrophobicContact CG1-CG 4.35Å; I1028-W1038 HydrophobicContact CG2-CD2 4.42Å; I1028-W1038 HydrophobicContact CG2-CH2 3.96Å; I1028-W1038 HydrophobicContact CG2-CZ2 3.37Å; I1028-L1041 HydrophobicContact CD1-CB 4.11Å; I1028-L1041 HydrophobicContact CD1-CD2 3.56Å; I1028-L1041 HydrophobicContact CD1-CG 4.47Å |
| 1029 | E | 89.7 | Confident | 89.7 | Confident | 166 Ų | 166 | 46.4 Ų | 46.4 | 78% | 0.776 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.8 | -37.6 | 174.7 | -175.1 | 175.5 | -179.1 | 0 | 0 | 111.4 | S1025 L1026 I1027 | S1025-E1029 PolarHBondContact O-N 2.71Å; L1026-E1029 PolarHBondContact O-N 3.14Å; I1027-E1029 VanDerWaalsContact C-N 3.35Å; I1027-E1029 PolarHBondContact O-N 3.01Å |
| 1030 | A | 87.1 | Confident | 89.9 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.4 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F995 L1026 I1027 I1028 | F995-A1030 HydrophobicContact CE2-CB 3.77Å; F995-A1030 HydrophobicContact CZ-CB 3.78Å; L1026-A1030 WeakPolarHBondContact O-CB 3.14Å; L1026-A1030 PolarHBondContact O-N 3.28Å; L1026-A1030 VanDerWaalsContact O-N 3.1Å; I1027-A1030 PolarHBondContact O-N 2.59Å; I1028-A1030 VanDerWaalsContact C-N 3.3Å |
| 1031 | D | 85.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | trans | -133.8 | 96.4 | 177.4 | -179 | 9.6 | 0 | 0 | 0 | 110.9 | F995 I1027 I1028 E1033 A1034 | F995-D1031 HydrophobicContact CE1-CB 4.1Å; F995-D1031 HydrophobicContact CZ-CB 4.02Å; I1027-D1031 PolarHBondContact O-N 2.91Å; I1028-D1031 CarbonylContact O-C 3.55Å; D1031-E1033 PolarHBondContact O-N 2.83Å; D1031-E1033 VanDerWaalsContact O-N 3.12Å; D1031-E1033 WeakPolarHBondContact OD1-CB 3.27Å; D1031-E1033 PolarHBondContact OD1-N 3.1Å; D1031-A1034 HydrophobicContact CB-CB 4.2Å; D1031-A1034 WeakPolarHBondContact O-CB 3.08Å; D1031-A1034 PolarHBondContact O-N 2.81Å | ||
| 1032 | P | 86.6 | Confident | 90.1 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 46% | 0.461 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | 177.3 | -24.8 | 35.2 | 0 | 0 | 0 | 115 | I1028 W1038 | I1028-P1032 WeakPolarHBondContact O-CA 3.43Å; P1032-W1038 PolarHBondContact O-NE1 3Å |
| 1033 | E | 86.8 | Confident | 90 | Very high | 55 Ų | 55 | 34 Ų | 34 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.1 | -179.2 | -162.3 | 60.7 | -159.5 | 0 | 0 | 112.4 | D1031 V1035 L1064 I1065 T1066 | D1031-E1033 PolarHBondContact O-N 2.83Å; D1031-E1033 VanDerWaalsContact O-N 3.12Å; D1031-E1033 WeakPolarHBondContact OD1-CB 3.27Å; D1031-E1033 PolarHBondContact OD1-N 3.1Å; E1033-V1035 PolarHBondContact O-N 3.2Å; E1033-L1064 WeakPolarHBondContact OE2-CD2 3.37Å; E1033-I1065 WeakPolarHBondContact OE1-CA 3.4Å; E1033-I1065 WeakPolarHBondContact OE1-CB 3.19Å; E1033-I1065 PolarHBondContact OE1-N 3.02Å; E1033-T1066 HydrophobicContact CG-CG2 3.83Å; E1033-T1066 PolarHBondContact O-OG1 3.07Å |
| 1034 | A | 87.5 | Confident | 90 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | trans | -70.3 | 98.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1027 D1031 E1036 A1037 W1038 | I1027-A1034 HydrophobicContact CG2-CB 4.02Å; D1031-A1034 HydrophobicContact CB-CB 4.2Å; D1031-A1034 WeakPolarHBondContact O-CB 3.08Å; D1031-A1034 PolarHBondContact O-N 2.81Å; A1034-E1036 PolarHBondContact O-N 3.42Å; A1034-A1037 HydrophobicContact CB-CB 4.02Å; A1034-A1037 PolarHBondContact O-N 3.13Å; A1034-W1038 VanDerWaalsContact O-CD1 3.26Å; A1034-W1038 PolarHBondContact O-N 3.06Å | ||
| 1035 | V | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | -175.7 | 66.8 | 0 | 0 | 0 | 0 | 113 | E1033 A1037 W1038 A1039 C1061 L1064 T1066 W1067 P1069 | E1033-V1035 PolarHBondContact O-N 3.2Å; V1035-A1037 VanDerWaalsContact C-N 3.34Å; V1035-A1037 PolarHBondContact O-N 3Å; V1035-W1038 PolarHBondContact O-N 2.84Å; V1035-A1039 WeakPolarHBondContact O-CB 3.43Å; V1035-A1039 PolarHBondContact O-N 2.81Å; V1035-C1061 HydrophobicContact CG2-CB 4.03Å; V1035-L1064 HydrophobicContact CB-CD1 4.05Å; V1035-L1064 HydrophobicContact CG2-CD1 4.34Å; V1035-T1066 WeakPolarHBondContact CB-OG1 3.36Å; V1035-T1066 WeakPolarHBondContact CG1-O 3.41Å; V1035-W1067 HydrophobicContact CG2-CE3 4.25Å; V1035-P1069 HydrophobicContact CG1-CB 4.32Å; V1035-P1069 HydrophobicContact CG2-CB 4.18Å; V1035-P1069 HydrophobicContact CG2-CG 4.25Å |
| 1036 | E | 89.5 | Confident | 90 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 27% | 0.271 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.8 | -75.1 | 72.6 | -164.3 | 0 | 0 | 112.2 | L1003 A1034 A1039 C1040 | L1003-E1036 HydrophobicContact CD1-CB 4.02Å; L1003-E1036 HydrophobicContact CD2-CB 3.65Å; L1003-E1036 HydrophobicContact CD2-CG 4.12Å; A1034-E1036 PolarHBondContact O-N 3.42Å; E1036-A1039 PolarHBondContact O-N 2.73Å; E1036-C1040 VanDerWaalsContact O-CB 3.25Å; E1036-C1040 WeakPolarHBondContact O-CB 3.49Å; E1036-C1040 PolarHBondContact O-N 3.26Å |
| 1037 | A | 89.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1027 I1028 A1034 V1035 A1039 C1040 L1041 | I1027-A1037 HydrophobicContact CB-CB 3.82Å; I1027-A1037 HydrophobicContact CD1-CB 4.31Å; I1027-A1037 HydrophobicContact CG2-CB 3.58Å; I1028-A1037 HydrophobicContact CD1-CB 4.44Å; I1028-A1037 HydrophobicContact CG1-CB 3.79Å; A1034-A1037 HydrophobicContact CB-CB 4.02Å; A1034-A1037 PolarHBondContact O-N 3.13Å; V1035-A1037 VanDerWaalsContact C-N 3.34Å; V1035-A1037 PolarHBondContact O-N 3Å; A1037-A1039 VanDerWaalsContact C-N 3.33Å; A1037-A1039 PolarHBondContact O-N 3.31Å; A1037-C1040 PolarHBondContact O-N 3.05Å; A1037-L1041 WeakPolarHBondContact O-CB 3.41Å; A1037-L1041 PolarHBondContact O-N 3.33Å |
| 1038 | W | 93.4 | Very high | 89.6 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 172.8 | -76.9 | 105.8 | 0 | 0 | 0 | 112.5 | I1028 P1032 A1034 V1035 G1042 C1057 R1060 C1061 L1064 | I1028-W1038 HydrophobicContact CD1-CD2 3.87Å; I1028-W1038 HydrophobicContact CD1-CE3 4.02Å; I1028-W1038 HydrophobicContact CD1-CG 4.21Å; I1028-W1038 HydrophobicContact CD1-CZ3 4.43Å; I1028-W1038 HydrophobicContact CG1-CD2 4.23Å; I1028-W1038 HydrophobicContact CG1-CG 4.35Å; I1028-W1038 HydrophobicContact CG2-CD2 4.42Å; I1028-W1038 HydrophobicContact CG2-CH2 3.96Å; I1028-W1038 HydrophobicContact CG2-CZ2 3.37Å; P1032-W1038 PolarHBondContact O-NE1 3Å; A1034-W1038 VanDerWaalsContact O-CD1 3.26Å; A1034-W1038 PolarHBondContact O-N 3.06Å; V1035-W1038 PolarHBondContact O-N 2.84Å; W1038-G1042 PolarHBondContact O-N 3.35Å; W1038-C1057 HydrophobicContact CE3-CB 4.22Å; W1038-R1060 HydrophobicContact CD2-CB 4.33Å; W1038-R1060 HydrophobicContact CD2-CG 3.74Å; W1038-R1060 HydrophobicContact CE3-CB 4.18Å; W1038-R1060 HydrophobicContact CE3-CG 3.99Å; W1038-R1060 HydrophobicContact CG-CG 4.25Å; W1038-R1060 HydrophobicContact CH2-CG 4.22Å; W1038-R1060 HydrophobicContact CZ2-CG 3.97Å; W1038-R1060 HydrophobicContact CZ3-CB 4.47Å; W1038-R1060 HydrophobicContact CZ3-CG 4.23Å; W1038-C1061 WeakPolarHBondContact CB-SG 3.47Å; W1038-L1064 HydrophobicContact CG-CD1 4.3Å |
| 1039 | A | 92.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V1035 E1036 A1037 G1042 H1043 C1061 P1069 L1075 | V1035-A1039 WeakPolarHBondContact O-CB 3.43Å; V1035-A1039 PolarHBondContact O-N 2.81Å; E1036-A1039 PolarHBondContact O-N 2.73Å; A1037-A1039 VanDerWaalsContact C-N 3.33Å; A1037-A1039 PolarHBondContact O-N 3.31Å; A1039-G1042 PolarHBondContact O-N 2.89Å; A1039-H1043 PolarHBondContact O-CD2 3.22Å; A1039-H1043 VanDerWaalsContact O-CG 3.28Å; A1039-H1043 PolarHBondContact O-N 2.77Å; A1039-C1061 PolarHBondContact N-SG 3.12Å; A1039-C1061 VanDerWaalsContact N-SG 3.4Å; A1039-P1069 HydrophobicContact CB-CB 4.23Å; A1039-P1069 HydrophobicContact CB-CG 4.41Å; A1039-L1075 HydrophobicContact CB-CD1 3.8Å |
| 1040 | C | 91.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | L1003 E1036 A1037 G1042 H1043 L1044 | L1003-C1040 HydrophobicContact CD1-CB 4.28Å; E1036-C1040 VanDerWaalsContact O-CB 3.25Å; E1036-C1040 WeakPolarHBondContact O-CB 3.49Å; E1036-C1040 PolarHBondContact O-N 3.26Å; A1037-C1040 PolarHBondContact O-N 3.05Å; C1040-G1042 VanDerWaalsContact C-N 3.34Å; C1040-G1042 PolarHBondContact O-N 2.94Å; C1040-H1043 WeakPolarHBondContact O-CB 3.23Å; C1040-H1043 PolarHBondContact O-N 3.38Å; C1040-H1043 VanDerWaalsContact O-N 3.12Å; C1040-L1044 WeakPolarHBondContact O-CG 3.1Å; C1040-L1044 PolarHBondContact O-N 3Å |
| 1041 | L | 91.9 | Very high | 89.9 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.3 | -177.9 | 62.3 | 0 | 0 | 0 | 111.7 | E1021 A1024 I1028 A1037 H1043 L1044 R1045 | E1021-L1041 HydrophobicContact CG-CD1 4.16Å; A1024-L1041 HydrophobicContact CB-CB 4.27Å; I1028-L1041 HydrophobicContact CD1-CB 4.11Å; I1028-L1041 HydrophobicContact CD1-CD2 3.56Å; I1028-L1041 HydrophobicContact CD1-CG 4.47Å; A1037-L1041 WeakPolarHBondContact O-CB 3.41Å; A1037-L1041 PolarHBondContact O-N 3.33Å; L1041-H1043 VanDerWaalsContact C-N 3.32Å; L1041-H1043 PolarHBondContact O-N 2.75Å; L1041-L1044 PolarHBondContact O-N 2.87Å; L1041-R1045 HydrophobicContact CD1-CG 4.36Å; L1041-R1045 HydrophobicContact CG-CG 4.47Å; L1041-R1045 WeakPolarHBondContact O-CG 3.48Å; L1041-R1045 PolarHBondContact O-N 3.47Å |
| 1042 | G | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1038 A1039 C1040 R1045 Y1046 Y1058 | W1038-G1042 PolarHBondContact O-N 3.35Å; A1039-G1042 PolarHBondContact O-N 2.89Å; C1040-G1042 VanDerWaalsContact C-N 3.34Å; C1040-G1042 PolarHBondContact O-N 2.94Å; G1042-R1045 PolarHBondContact O-N 3.42Å; G1042-Y1046 WeakPolarHBondContact O-CB 3.45Å; G1042-Y1046 PolarHBondContact O-N 3.31Å; G1042-Y1058 VanDerWaalsContact C-CZ 3.46Å; G1042-Y1058 VanDerWaalsContact C-OH 3.22Å; G1042-Y1058 PolarHBondContact O-OH 3.09Å |
| 1043 | H | 91.4 | Very high | 90.6 | Very high | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 174.7 | -68.6 | -50.4 | 0 | 0 | 0 | 112.8 | M1010 A1039 C1040 L1041 Y1046 I1047 Y1058 R1078 | M1010-H1043 HydrophobicContact SD-CB 4.02Å; A1039-H1043 PolarHBondContact O-CD2 3.22Å; A1039-H1043 VanDerWaalsContact O-CG 3.28Å; A1039-H1043 PolarHBondContact O-N 2.77Å; C1040-H1043 WeakPolarHBondContact O-CB 3.23Å; C1040-H1043 PolarHBondContact O-N 3.38Å; C1040-H1043 VanDerWaalsContact O-N 3.12Å; L1041-H1043 VanDerWaalsContact C-N 3.32Å; L1041-H1043 PolarHBondContact O-N 2.75Å; H1043-Y1046 PolarHBondContact O-N 2.82Å; H1043-I1047 WeakPolarHBondContact O-CD1 3.34Å; H1043-I1047 VanDerWaalsContact O-CG1 3.26Å; H1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; H1043-I1047 PolarHBondContact O-N 3.32Å; H1043-Y1058 VanDerWaalsContact CA-OH 3.28Å; H1043-Y1058 WeakPolarHBondContact CA-OH 3.3Å; H1043-Y1058 PolarHBondContact N-OH 3.49Å; H1043-Y1058 AromaticContact ND1-CZ 3.9Å; H1043-Y1058 PolarHBondContact ND1-OH 2.81Å; H1043-R1078 VanDerWaalsContact CA-NH1 3.3Å; H1043-R1078 PolarHBondContact ND1-NH1 3.2Å; H1043-R1078 VanDerWaalsContact ND1-NH1 3.12Å; H1043-R1078 PolarHBondContact O-NH1 3.16Å |
| 1044 | L | 90.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 175.8 | -70.9 | 167.3 | 0 | 0 | 0 | 111.6 | M1010 L1017 A1020 A1024 C1040 L1041 Y1046 I1047 A1048 | M1010-L1044 HydrophobicContact CB-CD2 3.89Å; M1010-L1044 HydrophobicContact CG-CD2 3.78Å; M1010-L1044 HydrophobicContact SD-CD2 4.15Å; M1010-L1044 HydrophobicContact SD-CG 4.4Å; L1017-L1044 HydrophobicContact CD2-CD2 3.94Å; A1020-L1044 HydrophobicContact CB-CD1 3.64Å; A1020-L1044 HydrophobicContact CB-CD2 3.51Å; A1020-L1044 HydrophobicContact CB-CG 4.23Å; A1024-L1044 HydrophobicContact CB-CD1 4.37Å; C1040-L1044 WeakPolarHBondContact O-CG 3.1Å; C1040-L1044 PolarHBondContact O-N 3Å; L1041-L1044 PolarHBondContact O-N 2.87Å; L1044-Y1046 VanDerWaalsContact C-N 3.31Å; L1044-Y1046 PolarHBondContact O-N 2.89Å; L1044-I1047 PolarHBondContact O-N 3.37Å; L1044-A1048 WeakPolarHBondContact O-CB 3.37Å; L1044-A1048 PolarHBondContact O-N 3.23Å |
| 1045 | R | 91.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 176.8 | -67.6 | -59.7 | -174.1 | -157.9 | -2.9 | 112.6 | E1021 L1041 G1042 A1048 G1049 D1050 A1053 A1054 | E1021-R1045 IonicContact OE1-CZ 3.63Å; E1021-R1045 IonicContact OE1-NH1 3.16Å; E1021-R1045 PolarHBondContact OE1-NH1 3.39Å; E1021-R1045 IonicContact OE1-NH2 2.7Å; E1021-R1045 PolarHBondContact OE1-NH2 3.23Å; E1021-R1045 IonicContact OE2-CZ 2.98Å; E1021-R1045 IonicContact OE2-NH1 3.39Å; E1021-R1045 PolarHBondContact OE2-NH1 2.99Å; E1021-R1045 IonicContact OE2-NH2 3.46Å; L1041-R1045 HydrophobicContact CD1-CG 4.36Å; L1041-R1045 HydrophobicContact CG-CG 4.47Å; L1041-R1045 WeakPolarHBondContact O-CG 3.48Å; L1041-R1045 PolarHBondContact O-N 3.47Å; G1042-R1045 PolarHBondContact O-N 3.42Å; R1045-A1048 PolarHBondContact O-N 3.42Å; R1045-G1049 PolarHBondContact O-N 2.9Å; R1045-D1050 PolarHBondContact O-N 3.12Å; R1045-D1050 VanDerWaalsContact O-N 3.08Å; R1045-A1053 HydrophobicContact CB-CB 4.38Å; R1045-A1053 HydrophobicContact CG-CB 4.08Å; R1045-A1054 HydrophobicContact CB-CB 3.84Å |
| 1046 | Y | 91.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 40.1 Ų | 40.1 | 26% | 0.263 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.6 | -176.5 | -93.5 | 0 | 0 | 0 | 111.7 | G1042 H1043 L1044 A1048 G1049 L1051 R1078 I1082 | G1042-Y1046 WeakPolarHBondContact O-CB 3.45Å; G1042-Y1046 PolarHBondContact O-N 3.31Å; H1043-Y1046 PolarHBondContact O-N 2.82Å; L1044-Y1046 VanDerWaalsContact C-N 3.31Å; L1044-Y1046 PolarHBondContact O-N 2.89Å; Y1046-A1048 VanDerWaalsContact C-N 3.33Å; Y1046-G1049 PolarHBondContact O-N 3.27Å; Y1046-L1051 HydrophobicContact CD2-CD2 3.99Å; Y1046-L1051 HydrophobicContact CE2-CD2 4.09Å; Y1046-R1078 HydrophobicContact CD1-CG 4.22Å; Y1046-R1078 HydrophobicContact CD2-CB 4.29Å; Y1046-R1078 HydrophobicContact CE1-CG 4.05Å; Y1046-R1078 HydrophobicContact CE2-CB 4.22Å; Y1046-R1078 HydrophobicContact CE2-CG 4.38Å; Y1046-R1078 HydrophobicContact CG-CG 4.45Å; Y1046-I1082 HydrophobicContact CD2-CD1 3.96Å; Y1046-I1082 HydrophobicContact CD2-CG1 4.09Å; Y1046-I1082 HydrophobicContact CE2-CD1 4.35Å; Y1046-I1082 HydrophobicContact CE2-CG1 4.01Å |
| 1047 | I | 86.5 | Confident | 91.6 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 176.6 | -67.4 | 164.2 | 0 | 0 | 0 | 110.9 | M1010 L1017 H1043 L1044 G1049 | M1010-I1047 HydrophobicContact CG-CD1 3.99Å; M1010-I1047 HydrophobicContact SD-CD1 4.07Å; L1017-I1047 HydrophobicContact CD1-CG2 4.16Å; L1017-I1047 HydrophobicContact CD2-CG2 4.12Å; H1043-I1047 WeakPolarHBondContact O-CD1 3.34Å; H1043-I1047 VanDerWaalsContact O-CG1 3.26Å; H1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; H1043-I1047 PolarHBondContact O-N 3.32Å; L1044-I1047 PolarHBondContact O-N 3.37Å; I1047-G1049 PolarHBondContact O-N 2.77Å |
| 1048 | A | 88.6 | Confident | 91.9 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.3 | -15.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1017 L1044 R1045 Y1046 | L1017-A1048 HydrophobicContact CD1-CB 4.49Å; L1044-A1048 WeakPolarHBondContact O-CB 3.37Å; L1044-A1048 PolarHBondContact O-N 3.23Å; R1045-A1048 PolarHBondContact O-N 3.42Å; Y1046-A1048 VanDerWaalsContact C-N 3.33Å |
| 1049 | G | 87.6 | Confident | 91.9 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 54% | 0.536 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 0.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1045 Y1046 I1047 L1051 | R1045-G1049 PolarHBondContact O-N 2.9Å; Y1046-G1049 PolarHBondContact O-N 3.27Å; I1047-G1049 PolarHBondContact O-N 2.77Å; G1049-L1051 PolarHBondContact O-N 3.45Å; G1049-L1051 VanDerWaalsContact O-N 3.09Å |
| 1050 | D | 91.8 | Very high | 92 | Very high | 74 Ų | 74 | 43 Ų | 43 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | trans | -82.6 | 85.3 | 172.5 | -172.4 | -9.6 | 0 | 0 | 0 | 110.3 | R1045 N1052 A1053 A1054 | R1045-D1050 PolarHBondContact O-N 3.12Å; R1045-D1050 VanDerWaalsContact O-N 3.08Å; D1050-N1052 VanDerWaalsContact C-N 3.29Å; D1050-N1052 PolarHBondContact O-N 2.94Å; D1050-N1052 PolarHBondContact OD1-N 3.42Å; D1050-A1053 HydrophobicContact CB-CB 4.26Å; D1050-A1053 VanDerWaalsContact CG-CB 3.47Å; D1050-A1053 PolarHBondContact OD1-N 3.12Å; D1050-A1053 VanDerWaalsContact OD2-CB 3.29Å; D1050-A1053 WeakPolarHBondContact OD2-CB 3.35Å; D1050-A1054 VanDerWaalsContact O-CB 3.31Å; D1050-A1054 WeakPolarHBondContact O-CB 3.47Å; D1050-A1054 PolarHBondContact O-N 3.12Å | ||
| 1051 | L | 92.9 | Very high | 92 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.3 | -31.1 | -177.5 | -56.3 | 178.7 | 0 | 0 | 0 | 112.8 | Y1046 G1049 R1055 I1082 | Y1046-L1051 HydrophobicContact CD2-CD2 3.99Å; Y1046-L1051 HydrophobicContact CE2-CD2 4.09Å; G1049-L1051 PolarHBondContact O-N 3.45Å; G1049-L1051 VanDerWaalsContact O-N 3.09Å; L1051-R1055 VanDerWaalsContact O-CB 3.27Å; L1051-R1055 WeakPolarHBondContact O-CB 3.41Å; L1051-R1055 PolarHBondContact O-N 3.39Å; L1051-I1082 HydrophobicContact CB-CG2 4.27Å; L1051-I1082 HydrophobicContact CD2-CG1 4.23Å |
| 1052 | N | 93.6 | Very high | 91.9 | Very high | 112 Ų | 112 | 43.9 Ų | 43.9 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.4 | -49.3 | 180 | -69.9 | -46.6 | 0 | 0 | 0 | 110.3 | D1050 R1055 S1056 | D1050-N1052 VanDerWaalsContact C-N 3.29Å; D1050-N1052 PolarHBondContact O-N 2.94Å; D1050-N1052 PolarHBondContact OD1-N 3.42Å; N1052-R1055 PolarHBondContact O-N 3.39Å; N1052-S1056 PolarHBondContact O-N 2.99Å; N1052-S1056 VanDerWaalsContact O-N 3.07Å; N1052-S1056 PolarHBondContact O-OG 2.91Å |
| 1053 | A | 92.6 | Very high | 91.9 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1045 D1050 R1055 S1056 C1057 | R1045-A1053 HydrophobicContact CB-CB 4.38Å; R1045-A1053 HydrophobicContact CG-CB 4.08Å; D1050-A1053 HydrophobicContact CB-CB 4.26Å; D1050-A1053 VanDerWaalsContact CG-CB 3.47Å; D1050-A1053 PolarHBondContact OD1-N 3.12Å; D1050-A1053 VanDerWaalsContact OD2-CB 3.29Å; D1050-A1053 WeakPolarHBondContact OD2-CB 3.35Å; A1053-R1055 VanDerWaalsContact C-N 3.31Å; A1053-R1055 PolarHBondContact O-N 3.24Å; A1053-S1056 PolarHBondContact O-N 3.44Å; A1053-C1057 PolarHBondContact O-N 2.99Å; A1053-C1057 PolarHBondContact O-SG 3.04Å |
| 1054 | A | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1045 D1050 C1057 Y1058 I1082 | R1045-A1054 HydrophobicContact CB-CB 3.84Å; D1050-A1054 VanDerWaalsContact O-CB 3.31Å; D1050-A1054 WeakPolarHBondContact O-CB 3.47Å; D1050-A1054 PolarHBondContact O-N 3.12Å; A1054-C1057 PolarHBondContact O-N 3.34Å; A1054-Y1058 HydrophobicContact CB-CE2 4.3Å; A1054-Y1058 WeakPolarHBondContact O-CD2 3.24Å; A1054-Y1058 VanDerWaalsContact O-CG 3.27Å; A1054-Y1058 PolarHBondContact O-N 3.03Å; A1054-I1082 HydrophobicContact CB-CD1 4.06Å |
| 1055 | R | 95.2 | Very high | 91.9 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 176.3 | 177.3 | 175.7 | 165.5 | -139.9 | -11.1 | 112 | L1051 N1052 A1053 C1057 Y1058 E1059 L1079 I1082 E1086 K1088 | L1051-R1055 VanDerWaalsContact O-CB 3.27Å; L1051-R1055 WeakPolarHBondContact O-CB 3.41Å; L1051-R1055 PolarHBondContact O-N 3.39Å; N1052-R1055 PolarHBondContact O-N 3.39Å; A1053-R1055 VanDerWaalsContact C-N 3.31Å; A1053-R1055 PolarHBondContact O-N 3.24Å; R1055-C1057 VanDerWaalsContact C-N 3.26Å; R1055-C1057 PolarHBondContact O-N 3.01Å; R1055-Y1058 PolarHBondContact O-N 2.62Å; R1055-Y1058 VanDerWaalsContact O-N 3.14Å; R1055-E1059 HydrophobicContact CG-CG 4.19Å; R1055-E1059 IonicContact CZ-OE1 2.77Å; R1055-E1059 IonicContact NE-OE1 3.66Å; R1055-E1059 PolarHBondContact NE-OE1 2.81Å; R1055-E1059 IonicContact NH2-OE1 3.36Å; R1055-E1059 PolarHBondContact NH2-OE1 2.84Å; R1055-E1059 WeakPolarHBondContact O-CB 3.48Å; R1055-E1059 WeakPolarHBondContact O-CG 3.36Å; R1055-E1059 PolarHBondContact O-N 3.06Å; R1055-L1079 HydrophobicContact CG-CD1 4.12Å; R1055-I1082 HydrophobicContact CB-CD1 4.44Å; R1055-I1082 HydrophobicContact CB-CG2 4.08Å; R1055-E1086 WeakPolarHBondContact CD-OE1 3.34Å; R1055-E1086 IonicContact CZ-OE2 3.71Å; R1055-E1086 IonicContact NE-OE2 3.29Å; R1055-E1086 IonicContact NH1-OE1 2.97Å; R1055-E1086 PolarHBondContact NH1-OE1 2.83Å; R1055-E1086 IonicContact NH1-OE2 2.96Å; R1055-E1086 PolarHBondContact NH1-OE2 2.97Å; R1055-K1088 VanDerWaalsContact CZ-NZ 3.33Å; R1055-K1088 VanDerWaalsContact NH2-NZ 3.16Å |
| 1056 | S | 94.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 178.4 | -63.7 | 0 | 0 | 0 | 0 | 112 | N1052 A1053 R1060 | N1052-S1056 PolarHBondContact O-N 2.99Å; N1052-S1056 VanDerWaalsContact O-N 3.07Å; N1052-S1056 PolarHBondContact O-OG 2.91Å; A1053-S1056 PolarHBondContact O-N 3.44Å; S1056-R1060 VanDerWaalsContact O-CB 3.3Å; S1056-R1060 WeakPolarHBondContact O-CB 3.18Å; S1056-R1060 PolarHBondContact O-N 3.43Å |
| 1057 | C | 92.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | W1038 A1053 A1054 R1055 R1060 C1061 | W1038-C1057 HydrophobicContact CE3-CB 4.22Å; A1053-C1057 PolarHBondContact O-N 2.99Å; A1053-C1057 PolarHBondContact O-SG 3.04Å; A1054-C1057 PolarHBondContact O-N 3.34Å; R1055-C1057 VanDerWaalsContact C-N 3.26Å; R1055-C1057 PolarHBondContact O-N 3.01Å; C1057-R1060 WeakPolarHBondContact O-CB 3.38Å; C1057-R1060 PolarHBondContact O-N 3.17Å; C1057-C1061 PolarHBondContact O-N 3.25Å; C1057-C1061 PolarHBondContact O-SG 2.92Å |
| 1058 | Y | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 179.1 | -64.3 | -33.7 | 0 | 0 | 0 | 113.5 | G1042 H1043 A1054 R1055 R1060 C1061 L1062 L1075 R1078 L1079 I1082 | G1042-Y1058 VanDerWaalsContact C-CZ 3.46Å; G1042-Y1058 VanDerWaalsContact C-OH 3.22Å; G1042-Y1058 PolarHBondContact O-OH 3.09Å; H1043-Y1058 VanDerWaalsContact CA-OH 3.28Å; H1043-Y1058 WeakPolarHBondContact CA-OH 3.3Å; H1043-Y1058 PolarHBondContact N-OH 3.49Å; H1043-Y1058 AromaticContact ND1-CZ 3.9Å; H1043-Y1058 PolarHBondContact ND1-OH 2.81Å; A1054-Y1058 HydrophobicContact CB-CE2 4.3Å; A1054-Y1058 WeakPolarHBondContact O-CD2 3.24Å; A1054-Y1058 VanDerWaalsContact O-CG 3.27Å; A1054-Y1058 PolarHBondContact O-N 3.03Å; R1055-Y1058 PolarHBondContact O-N 2.62Å; R1055-Y1058 VanDerWaalsContact O-N 3.14Å; Y1058-R1060 VanDerWaalsContact C-N 3.25Å; Y1058-R1060 PolarHBondContact O-N 2.97Å; Y1058-C1061 WeakPolarHBondContact O-CB 3.34Å; Y1058-C1061 PolarHBondContact O-N 3.23Å; Y1058-L1062 WeakPolarHBondContact O-CG 3.44Å; Y1058-L1062 PolarHBondContact O-N 2.82Å; Y1058-L1075 HydrophobicContact CD1-CD1 3.78Å; Y1058-L1075 HydrophobicContact CD1-CD2 4.12Å; Y1058-L1075 HydrophobicContact CD1-CG 3.52Å; Y1058-L1075 HydrophobicContact CE1-CD1 4.21Å; Y1058-L1075 HydrophobicContact CE1-CG 3.87Å; Y1058-L1075 HydrophobicContact CG-CD2 4.26Å; Y1058-L1075 HydrophobicContact CG-CG 4.11Å; Y1058-R1078 HydrophobicContact CE2-CB 3.9Å; Y1058-R1078 VanDerWaalsContact OH-CD 3.3Å; Y1058-R1078 WeakPolarHBondContact OH-CD 3.5Å; Y1058-L1079 HydrophobicContact CD2-CB 4.07Å; Y1058-L1079 HydrophobicContact CD2-CD1 4.37Å; Y1058-L1079 HydrophobicContact CG-CB 4.47Å; Y1058-I1082 HydrophobicContact CD2-CD1 4Å; Y1058-I1082 HydrophobicContact CE2-CD1 3.96Å |
| 1059 | E | 94.6 | Very high | 91.1 | Very high | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 171.7 | -74.4 | 176.7 | 168 | 0 | 0 | 110.4 | R1055 L1062 C1063 Y1083 | R1055-E1059 HydrophobicContact CG-CG 4.19Å; R1055-E1059 IonicContact CZ-OE1 2.77Å; R1055-E1059 IonicContact NE-OE1 3.66Å; R1055-E1059 PolarHBondContact NE-OE1 2.81Å; R1055-E1059 IonicContact NH2-OE1 3.36Å; R1055-E1059 PolarHBondContact NH2-OE1 2.84Å; R1055-E1059 WeakPolarHBondContact O-CB 3.48Å; R1055-E1059 WeakPolarHBondContact O-CG 3.36Å; R1055-E1059 PolarHBondContact O-N 3.06Å; E1059-L1062 PolarHBondContact O-N 3.24Å; E1059-C1063 PolarHBondContact O-N 3.47Å; E1059-Y1083 PolarHBondContact OE1-OH 2.94Å |
| 1060 | R | 92.7 | Very high | 90.9 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 174.1 | -175.8 | 62.3 | 178 | 171.2 | 7.8 | 110.8 | W1038 S1056 C1057 Y1058 L1062 C1063 L1064 | W1038-R1060 HydrophobicContact CD2-CB 4.33Å; W1038-R1060 HydrophobicContact CD2-CG 3.74Å; W1038-R1060 HydrophobicContact CE3-CB 4.18Å; W1038-R1060 HydrophobicContact CE3-CG 3.99Å; W1038-R1060 HydrophobicContact CG-CG 4.25Å; W1038-R1060 HydrophobicContact CH2-CG 4.22Å; W1038-R1060 HydrophobicContact CZ2-CG 3.97Å; W1038-R1060 HydrophobicContact CZ3-CB 4.47Å; W1038-R1060 HydrophobicContact CZ3-CG 4.23Å; S1056-R1060 VanDerWaalsContact O-CB 3.3Å; S1056-R1060 WeakPolarHBondContact O-CB 3.18Å; S1056-R1060 PolarHBondContact O-N 3.43Å; C1057-R1060 WeakPolarHBondContact O-CB 3.38Å; C1057-R1060 PolarHBondContact O-N 3.17Å; Y1058-R1060 VanDerWaalsContact C-N 3.25Å; Y1058-R1060 PolarHBondContact O-N 2.97Å; R1060-L1062 PolarHBondContact O-N 3.19Å; R1060-C1063 PolarHBondContact O-N 2.89Å; R1060-L1064 HydrophobicContact CG-CD2 4.42Å; R1060-L1064 WeakPolarHBondContact O-CG 3.25Å; R1060-L1064 PolarHBondContact O-N 3.45Å |
| 1061 | C | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -51.3 | -41.8 | 176.4 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | V1035 W1038 A1039 C1057 Y1058 C1063 L1064 W1067 L1075 | V1035-C1061 HydrophobicContact CG2-CB 4.03Å; W1038-C1061 WeakPolarHBondContact CB-SG 3.47Å; A1039-C1061 PolarHBondContact N-SG 3.12Å; A1039-C1061 VanDerWaalsContact N-SG 3.4Å; C1057-C1061 PolarHBondContact O-N 3.25Å; C1057-C1061 PolarHBondContact O-SG 2.92Å; Y1058-C1061 WeakPolarHBondContact O-CB 3.34Å; Y1058-C1061 PolarHBondContact O-N 3.23Å; C1061-C1063 PolarHBondContact O-N 3.22Å; C1061-L1064 PolarHBondContact O-N 3.31Å; C1061-W1067 HydrophobicContact CB-CE3 4.27Å; C1061-W1067 HydrophobicContact CB-CZ3 4.15Å; C1061-L1075 HydrophobicContact CB-CD1 4.08Å |
| 1062 | L | 90.2 | Very high | 90 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.8 | -20 | -178.8 | -65.2 | 175 | 0 | 0 | 0 | 113.7 | Y1058 E1059 R1060 W1067 L1076 L1079 I1095 | Y1058-L1062 WeakPolarHBondContact O-CG 3.44Å; Y1058-L1062 PolarHBondContact O-N 2.82Å; E1059-L1062 PolarHBondContact O-N 3.24Å; R1060-L1062 PolarHBondContact O-N 3.19Å; L1062-W1067 HydrophobicContact CD2-CD2 4.45Å; L1062-W1067 HydrophobicContact CD2-CE3 4.16Å; L1062-W1067 HydrophobicContact CD2-CH2 3.46Å; L1062-W1067 VanDerWaalsContact CD2-CH2 3.46Å; L1062-W1067 HydrophobicContact CD2-CZ2 3.77Å; L1062-W1067 HydrophobicContact CD2-CZ3 3.68Å; L1062-L1076 HydrophobicContact CD2-CD2 4.15Å; L1062-L1079 HydrophobicContact CD1-CD2 3.57Å; L1062-I1095 HydrophobicContact CD1-CD1 3.82Å |
| 1063 | C | 91.3 | Very high | 89.8 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -93.4 | -10.9 | 178.3 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | E1059 R1060 C1061 | E1059-C1063 PolarHBondContact O-N 3.47Å; R1060-C1063 PolarHBondContact O-N 2.89Å; C1061-C1063 PolarHBondContact O-N 3.22Å |
| 1064 | L | 92 | Very high | 89.6 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | trans | -77.3 | 148.5 | -180 | -57.6 | 178.4 | 0 | 0 | 0 | 111.4 | E1033 V1035 W1038 R1060 C1061 W1067 | E1033-L1064 WeakPolarHBondContact OE2-CD2 3.37Å; V1035-L1064 HydrophobicContact CB-CD1 4.05Å; V1035-L1064 HydrophobicContact CG2-CD1 4.34Å; W1038-L1064 HydrophobicContact CG-CD1 4.3Å; R1060-L1064 HydrophobicContact CG-CD2 4.42Å; R1060-L1064 WeakPolarHBondContact O-CG 3.25Å; R1060-L1064 PolarHBondContact O-N 3.45Å; C1061-L1064 PolarHBondContact O-N 3.31Å; L1064-W1067 WeakPolarHBondContact O-CB 3.17Å | ||
| 1065 | I | 89.2 | Confident | 89.5 | Confident | 156 Ų | 156 | 52.8 Ų | 52.8 | 80% | 0.8 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.8 | 176.4 | -59.6 | 170.1 | 0 | 0 | 0 | 110.6 | E1033 W1067 | E1033-I1065 WeakPolarHBondContact OE1-CA 3.4Å; E1033-I1065 WeakPolarHBondContact OE1-CB 3.19Å; E1033-I1065 PolarHBondContact OE1-N 3.02Å; I1065-W1067 PolarHBondContact O-N 2.79Å |
| 1066 | T | 84.3 | Confident | 89.4 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.1 | 178.3 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | E1033 V1035 | E1033-T1066 HydrophobicContact CG-CG2 3.83Å; E1033-T1066 PolarHBondContact O-OG1 3.07Å; V1035-T1066 WeakPolarHBondContact CB-OG1 3.36Å; V1035-T1066 WeakPolarHBondContact CG1-O 3.41Å |
| 1067 | W | 85.7 | Confident | 89.3 | Confident | 59 Ų | 59 | 48 Ų | 48 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 137.8 | 172.8 | 176.7 | -88.6 | 0 | 0 | 0 | 112 | V1035 C1061 L1062 L1064 I1065 P1069 Q1072 L1075 L1076 | V1035-W1067 HydrophobicContact CG2-CE3 4.25Å; C1061-W1067 HydrophobicContact CB-CE3 4.27Å; C1061-W1067 HydrophobicContact CB-CZ3 4.15Å; L1062-W1067 HydrophobicContact CD2-CD2 4.45Å; L1062-W1067 HydrophobicContact CD2-CE3 4.16Å; L1062-W1067 HydrophobicContact CD2-CH2 3.46Å; L1062-W1067 VanDerWaalsContact CD2-CH2 3.46Å; L1062-W1067 HydrophobicContact CD2-CZ2 3.77Å; L1062-W1067 HydrophobicContact CD2-CZ3 3.68Å; L1064-W1067 WeakPolarHBondContact O-CB 3.17Å; I1065-W1067 PolarHBondContact O-N 2.79Å; W1067-P1069 VanDerWaalsContact CE3-CD 3.43Å; W1067-P1069 HydrophobicContact CE3-CG 4.45Å; W1067-P1069 VanDerWaalsContact CZ3-CD 3.4Å; W1067-P1069 HydrophobicContact CZ3-CG 4.04Å; W1067-Q1072 HydrophobicContact CH2-CG 3.74Å; W1067-Q1072 HydrophobicContact CZ2-CG 3.6Å; W1067-L1075 HydrophobicContact CH2-CD2 4.28Å; W1067-L1075 HydrophobicContact CZ3-CD1 4.36Å; W1067-L1075 HydrophobicContact CZ3-CD2 4.29Å; W1067-L1076 HydrophobicContact CH2-CD2 4.31Å |
| 1068 | P | 85.8 | Confident | 89.3 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | cis | -102.3 | 155.4 | 10.3 | 36.6 | -32.8 | 0 | 0 | 0 | 116 | Q1072 | P1068-Q1072 HydrophobicContact CB-CB 4.36Å; P1068-Q1072 HydrophobicContact CB-CG 4.49Å |
| 1069 | P | 85.2 | Confident | 89.2 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 159.8 | 172.4 | 32.1 | -34.8 | 0 | 0 | 0 | 112.1 | V1035 A1039 W1067 D1071 Q1072 L1075 | V1035-P1069 HydrophobicContact CG1-CB 4.32Å; V1035-P1069 HydrophobicContact CG2-CB 4.18Å; V1035-P1069 HydrophobicContact CG2-CG 4.25Å; A1039-P1069 HydrophobicContact CB-CB 4.23Å; A1039-P1069 HydrophobicContact CB-CG 4.41Å; W1067-P1069 VanDerWaalsContact CE3-CD 3.43Å; W1067-P1069 HydrophobicContact CE3-CG 4.45Å; W1067-P1069 VanDerWaalsContact CZ3-CD 3.4Å; W1067-P1069 HydrophobicContact CZ3-CG 4.04Å; P1069-D1071 VanDerWaalsContact C-N 3.31Å; P1069-D1071 PolarHBondContact O-N 2.84Å; P1069-Q1072 PolarHBondContact O-N 3.27Å; P1069-Q1072 VanDerWaalsContact O-N 3.17Å; P1069-L1075 HydrophobicContact CG-CD1 4.16Å |
| 1070 | K | 82.4 | Confident | 89.2 | Confident | 122 Ų | 122 | 46 Ų | 46 | 53% | 0.53 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -47.2 | 177.5 | -69.1 | 178.3 | -179.7 | 169 | 0 | 113.4 | E906 | E906-K1070 IonicContact OE1-NZ 2.63Å; E906-K1070 PolarHBondContact OE1-NZ 2.9Å |
| 1071 | D | 78.1 | Confident | 89.2 | Confident | 97 Ų | 97 | 42.2 Ų | 42.2 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 47.4 | 179.9 | -75.7 | -36.7 | 0 | 0 | 0 | 113.8 | P1069 H1073 I1074 L1075 | P1069-D1071 VanDerWaalsContact C-N 3.31Å; P1069-D1071 PolarHBondContact O-N 2.84Å; D1071-H1073 PolarHBondContact O-N 2.83Å; D1071-H1073 VanDerWaalsContact O-N 3.12Å; D1071-I1074 HydrophobicContact CB-CD1 4.4Å; D1071-I1074 PolarHBondContact O-N 2.85Å; D1071-L1075 PolarHBondContact O-N 2.63Å |
| 1072 | Q | 88.3 | Confident | 89.4 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -49.1 | -40.9 | 179 | 174.6 | -177.3 | -21.7 | 0 | 0 | 113.9 | W1067 P1068 P1069 I1074 L1075 L1076 N1102 | W1067-Q1072 HydrophobicContact CH2-CG 3.74Å; W1067-Q1072 HydrophobicContact CZ2-CG 3.6Å; P1068-Q1072 HydrophobicContact CB-CB 4.36Å; P1068-Q1072 HydrophobicContact CB-CG 4.49Å; P1069-Q1072 PolarHBondContact O-N 3.27Å; P1069-Q1072 VanDerWaalsContact O-N 3.17Å; Q1072-I1074 PolarHBondContact O-N 2.83Å; Q1072-L1075 PolarHBondContact O-N 2.95Å; Q1072-L1076 HydrophobicContact CG-CD1 3.82Å; Q1072-L1076 HydrophobicContact CG-CG 4.24Å; Q1072-L1076 WeakPolarHBondContact O-CG 3.45Å; Q1072-L1076 PolarHBondContact O-N 3.32Å; Q1072-L1076 VanDerWaalsContact O-N 3.09Å; Q1072-N1102 PolarHBondContact NE2-ND2 2.75Å; Q1072-N1102 PolarHBondContact OE1-ND2 3.41Å |
| 1073 | H | 89.2 | Confident | 89.7 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | -173.6 | -175.3 | 63.7 | 0 | 0 | 0 | 112.2 | E645 D1071 L1076 L1077 S1103 | E645-H1073 IonicContact OE2-CD2 3.66Å; E645-H1073 IonicContact OE2-CE1 2.69Å; E645-H1073 IonicContact OE2-NE2 3.44Å; E645-H1073 PolarHBondContact OE2-NE2 2.93Å; D1071-H1073 PolarHBondContact O-N 2.83Å; D1071-H1073 VanDerWaalsContact O-N 3.12Å; H1073-L1076 PolarHBondContact O-N 2.9Å; H1073-L1077 WeakPolarHBondContact O-CG 3.41Å; H1073-L1077 PolarHBondContact O-N 2.82Å; H1073-L1077 VanDerWaalsContact O-N 3.1Å; H1073-S1103 PolarHBondContact CE1-O 3.01Å; H1073-S1103 VanDerWaalsContact CE1-O 3.27Å |
| 1074 | I | 88.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | -179 | -65.4 | 172.4 | 0 | 0 | 0 | 110.4 | Q648 D1071 Q1072 L1076 L1077 R1078 | Q648-I1074 HydrophobicContact CG-CD1 4.18Å; Q648-I1074 HydrophobicContact CG-CG1 4.38Å; Q648-I1074 HydrophobicContact CG-CG2 3.93Å; D1071-I1074 HydrophobicContact CB-CD1 4.4Å; D1071-I1074 PolarHBondContact O-N 2.85Å; Q1072-I1074 PolarHBondContact O-N 2.83Å; I1074-L1076 VanDerWaalsContact C-N 3.33Å; I1074-L1076 PolarHBondContact O-N 3.06Å; I1074-L1077 PolarHBondContact O-N 3.43Å; I1074-R1078 HydrophobicContact CG2-CG 4.48Å; I1074-R1078 WeakPolarHBondContact O-CG 3.38Å; I1074-R1078 PolarHBondContact O-N 3.06Å |
| 1075 | L | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 177.1 | -174.3 | 156.1 | 0 | 0 | 0 | 110.9 | A1039 Y1058 C1061 W1067 P1069 D1071 Q1072 L1077 R1078 L1079 | A1039-L1075 HydrophobicContact CB-CD1 3.8Å; Y1058-L1075 HydrophobicContact CD1-CD1 3.78Å; Y1058-L1075 HydrophobicContact CD1-CD2 4.12Å; Y1058-L1075 HydrophobicContact CD1-CG 3.52Å; Y1058-L1075 HydrophobicContact CE1-CD1 4.21Å; Y1058-L1075 HydrophobicContact CE1-CG 3.87Å; Y1058-L1075 HydrophobicContact CG-CD2 4.26Å; Y1058-L1075 HydrophobicContact CG-CG 4.11Å; C1061-L1075 HydrophobicContact CB-CD1 4.08Å; W1067-L1075 HydrophobicContact CH2-CD2 4.28Å; W1067-L1075 HydrophobicContact CZ3-CD1 4.36Å; W1067-L1075 HydrophobicContact CZ3-CD2 4.29Å; P1069-L1075 HydrophobicContact CG-CD1 4.16Å; D1071-L1075 PolarHBondContact O-N 2.63Å; Q1072-L1075 PolarHBondContact O-N 2.95Å; L1075-L1077 PolarHBondContact O-N 2.67Å; L1075-R1078 PolarHBondContact O-N 3.38Å; L1075-L1079 WeakPolarHBondContact O-CB 3.3Å; L1075-L1079 PolarHBondContact O-N 3.44Å |
| 1076 | L | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | -179.4 | -66.4 | 174.7 | 0 | 0 | 0 | 112.7 | L1062 W1067 Q1072 H1073 I1074 G1080 I1095 R1098 A1099 | L1062-L1076 HydrophobicContact CD2-CD2 4.15Å; W1067-L1076 HydrophobicContact CH2-CD2 4.31Å; Q1072-L1076 HydrophobicContact CG-CD1 3.82Å; Q1072-L1076 HydrophobicContact CG-CG 4.24Å; Q1072-L1076 WeakPolarHBondContact O-CG 3.45Å; Q1072-L1076 PolarHBondContact O-N 3.32Å; Q1072-L1076 VanDerWaalsContact O-N 3.09Å; H1073-L1076 PolarHBondContact O-N 2.9Å; I1074-L1076 VanDerWaalsContact C-N 3.33Å; I1074-L1076 PolarHBondContact O-N 3.06Å; L1076-G1080 PolarHBondContact O-N 3.32Å; L1076-I1095 HydrophobicContact CB-CG2 4.33Å; L1076-I1095 HydrophobicContact CD2-CG2 4.1Å; L1076-I1095 WeakPolarHBondContact O-CG2 3.29Å; L1076-R1098 HydrophobicContact CD1-CG 4.21Å; L1076-A1099 HydrophobicContact CB-CB 3.89Å; L1076-A1099 HydrophobicContact CD1-CB 4.15Å |
| 1077 | L | 91.6 | Very high | 90.4 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.9 | -75.2 | 178.9 | 0 | 0 | 0 | 112.3 | E645 H1073 I1074 L1075 S1081 Y1096 A1107 T1108 | E645-L1077 HydrophobicContact CG-CD1 3.83Å; E645-L1077 WeakPolarHBondContact OE2-CD1 3Å; H1073-L1077 WeakPolarHBondContact O-CG 3.41Å; H1073-L1077 PolarHBondContact O-N 2.82Å; H1073-L1077 VanDerWaalsContact O-N 3.1Å; I1074-L1077 PolarHBondContact O-N 3.43Å; L1075-L1077 PolarHBondContact O-N 2.67Å; L1077-S1081 WeakPolarHBondContact O-CB 3.3Å; L1077-S1081 PolarHBondContact O-N 3.35Å; L1077-Y1096 HydrophobicContact CD2-CD1 4.26Å; L1077-Y1096 HydrophobicContact CD2-CE1 3.85Å; L1077-A1107 HydrophobicContact CD2-CB 4.31Å; L1077-T1108 HydrophobicContact CD2-CG2 3.55Å; L1077-T1108 HydrophobicContact CG-CG2 4.45Å |
| 1078 | R | 92.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 178.1 | -70.7 | -179.8 | -179.4 | -160.8 | 4 | 111.1 | Q648 H1043 Y1046 Y1058 I1074 L1075 G1080 S1081 I1082 | Q648-R1078 VanDerWaalsContact CD-NH2 3.35Å; H1043-R1078 VanDerWaalsContact CA-NH1 3.3Å; H1043-R1078 PolarHBondContact ND1-NH1 3.2Å; H1043-R1078 VanDerWaalsContact ND1-NH1 3.12Å; H1043-R1078 PolarHBondContact O-NH1 3.16Å; Y1046-R1078 HydrophobicContact CD1-CG 4.22Å; Y1046-R1078 HydrophobicContact CD2-CB 4.29Å; Y1046-R1078 HydrophobicContact CE1-CG 4.05Å; Y1046-R1078 HydrophobicContact CE2-CB 4.22Å; Y1046-R1078 HydrophobicContact CE2-CG 4.38Å; Y1046-R1078 HydrophobicContact CG-CG 4.45Å; Y1058-R1078 HydrophobicContact CE2-CB 3.9Å; Y1058-R1078 VanDerWaalsContact OH-CD 3.3Å; Y1058-R1078 WeakPolarHBondContact OH-CD 3.5Å; I1074-R1078 HydrophobicContact CG2-CG 4.48Å; I1074-R1078 WeakPolarHBondContact O-CG 3.38Å; I1074-R1078 PolarHBondContact O-N 3.06Å; L1075-R1078 PolarHBondContact O-N 3.38Å; R1078-G1080 PolarHBondContact O-N 3.45Å; R1078-S1081 WeakPolarHBondContact O-CB 3.32Å; R1078-S1081 PolarHBondContact O-N 3.4Å; R1078-I1082 VanDerWaalsContact O-CG1 3.32Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.27Å; R1078-I1082 PolarHBondContact O-N 2.91Å |
| 1079 | L | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 176.4 | 179.5 | 59.2 | 0 | 0 | 0 | 112 | R1055 Y1058 L1062 L1075 S1081 I1082 Y1083 I1095 | R1055-L1079 HydrophobicContact CG-CD1 4.12Å; Y1058-L1079 HydrophobicContact CD2-CB 4.07Å; Y1058-L1079 HydrophobicContact CD2-CD1 4.37Å; Y1058-L1079 HydrophobicContact CG-CB 4.47Å; L1062-L1079 HydrophobicContact CD1-CD2 3.57Å; L1075-L1079 WeakPolarHBondContact O-CB 3.3Å; L1075-L1079 PolarHBondContact O-N 3.44Å; L1079-S1081 VanDerWaalsContact C-N 3.29Å; L1079-S1081 PolarHBondContact O-N 3.42Å; L1079-I1082 PolarHBondContact O-N 3.22Å; L1079-Y1083 HydrophobicContact CD1-CD2 3.98Å; L1079-Y1083 HydrophobicContact CD1-CE2 3.5Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.1Å; L1079-Y1083 HydrophobicContact CG-CD2 3.94Å; L1079-Y1083 HydrophobicContact CG-CE2 3.6Å; L1079-Y1083 VanDerWaalsContact O-CD2 3.27Å; L1079-Y1083 WeakPolarHBondContact O-CD2 3.31Å; L1079-Y1083 PolarHBondContact O-N 2.99Å; L1079-I1095 HydrophobicContact CB-CG2 4.32Å; L1079-I1095 HydrophobicContact CD2-CD1 3.94Å; L1079-I1095 HydrophobicContact CD2-CG1 4.16Å; L1079-I1095 HydrophobicContact CD2-CG2 4.27Å; L1079-I1095 HydrophobicContact CG-CG1 4.43Å; L1079-I1095 HydrophobicContact CG-CG2 4.25Å |
| 1080 | G | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1076 R1078 Y1083 L1084 Y1096 | L1076-G1080 PolarHBondContact O-N 3.32Å; R1078-G1080 PolarHBondContact O-N 3.45Å; G1080-Y1083 PolarHBondContact O-N 3.17Å; G1080-L1084 PolarHBondContact O-N 3.5Å; G1080-Y1096 VanDerWaalsContact C-CE2 3.41Å; G1080-Y1096 VanDerWaalsContact C-OH 3.31Å; G1080-Y1096 WeakPolarHBondContact O-CE2 3.41Å |
| 1081 | S | 93.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | L1077 R1078 L1079 L1084 Q1085 Y1096 | L1077-S1081 WeakPolarHBondContact O-CB 3.3Å; L1077-S1081 PolarHBondContact O-N 3.35Å; R1078-S1081 WeakPolarHBondContact O-CB 3.32Å; R1078-S1081 PolarHBondContact O-N 3.4Å; L1079-S1081 VanDerWaalsContact C-N 3.29Å; L1079-S1081 PolarHBondContact O-N 3.42Å; S1081-L1084 PolarHBondContact O-N 3.44Å; S1081-Q1085 WeakPolarHBondContact O-CG 3.2Å; S1081-Q1085 PolarHBondContact O-N 3.37Å; S1081-Q1085 VanDerWaalsContact O-N 3.12Å; S1081-Y1096 WeakPolarHBondContact CA-OH 3.45Å; S1081-Y1096 PolarHBondContact N-OH 3.06Å |
| 1082 | I | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 175.7 | -64.4 | 162 | 0 | 0 | 0 | 109.8 | Y1046 L1051 A1054 R1055 Y1058 R1078 L1079 L1084 Q1085 E1086 | Y1046-I1082 HydrophobicContact CD2-CD1 3.96Å; Y1046-I1082 HydrophobicContact CD2-CG1 4.09Å; Y1046-I1082 HydrophobicContact CE2-CD1 4.35Å; Y1046-I1082 HydrophobicContact CE2-CG1 4.01Å; L1051-I1082 HydrophobicContact CB-CG2 4.27Å; L1051-I1082 HydrophobicContact CD2-CG1 4.23Å; A1054-I1082 HydrophobicContact CB-CD1 4.06Å; R1055-I1082 HydrophobicContact CB-CD1 4.44Å; R1055-I1082 HydrophobicContact CB-CG2 4.08Å; Y1058-I1082 HydrophobicContact CD2-CD1 4Å; Y1058-I1082 HydrophobicContact CE2-CD1 3.96Å; R1078-I1082 VanDerWaalsContact O-CG1 3.32Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.27Å; R1078-I1082 PolarHBondContact O-N 2.91Å; L1079-I1082 PolarHBondContact O-N 3.22Å; I1082-L1084 VanDerWaalsContact C-N 3.32Å; I1082-L1084 PolarHBondContact O-N 3.34Å; I1082-Q1085 PolarHBondContact O-N 3.18Å; I1082-Q1085 VanDerWaalsContact O-N 3.13Å; I1082-E1086 HydrophobicContact CG2-CG 4.38Å; I1082-E1086 PolarHBondContact O-N 2.8Å |
| 1083 | Y | 96.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | 177.6 | -76.9 | -54.5 | 0 | 0 | 0 | 113.6 | E1059 L1079 G1080 Q1085 E1086 L1087 K1088 E1091 I1095 | E1059-Y1083 PolarHBondContact OE1-OH 2.94Å; L1079-Y1083 HydrophobicContact CD1-CD2 3.98Å; L1079-Y1083 HydrophobicContact CD1-CE2 3.5Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.1Å; L1079-Y1083 HydrophobicContact CG-CD2 3.94Å; L1079-Y1083 HydrophobicContact CG-CE2 3.6Å; L1079-Y1083 VanDerWaalsContact O-CD2 3.27Å; L1079-Y1083 WeakPolarHBondContact O-CD2 3.31Å; L1079-Y1083 PolarHBondContact O-N 2.99Å; G1080-Y1083 PolarHBondContact O-N 3.17Å; Y1083-Q1085 VanDerWaalsContact C-N 3.34Å; Y1083-E1086 PolarHBondContact O-N 3.42Å; Y1083-L1087 PolarHBondContact O-N 2.66Å; Y1083-K1088 HydrophobicContact CD1-CB 3.83Å; Y1083-K1088 HydrophobicContact CD1-CD 3.99Å; Y1083-K1088 HydrophobicContact CD1-CG 4.5Å; Y1083-K1088 HydrophobicContact CE1-CD 4.15Å; Y1083-K1088 PolarHBondContact O-N 2.93Å; Y1083-E1091 HydrophobicContact CD1-CB 3.98Å; Y1083-E1091 HydrophobicContact CD2-CB 4.25Å; Y1083-E1091 HydrophobicContact CE1-CB 3.93Å; Y1083-E1091 HydrophobicContact CE1-CG 4.44Å; Y1083-E1091 HydrophobicContact CE2-CB 4.23Å; Y1083-E1091 HydrophobicContact CG-CB 4.12Å; Y1083-I1095 HydrophobicContact CD2-CG1 4.08Å; Y1083-I1095 HydrophobicContact CE2-CG1 3.82Å |
| 1084 | L | 93.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 173.6 | -76.8 | 178.9 | 0 | 0 | 0 | 112 | G1080 S1081 I1082 L1087 Y1089 A1092 Y1096 K1114 A1115 | G1080-L1084 PolarHBondContact O-N 3.5Å; S1081-L1084 PolarHBondContact O-N 3.44Å; I1082-L1084 VanDerWaalsContact C-N 3.32Å; I1082-L1084 PolarHBondContact O-N 3.34Å; L1084-L1087 PolarHBondContact O-N 3.29Å; L1084-Y1089 HydrophobicContact CD2-CD1 4.05Å; L1084-A1092 HydrophobicContact CD2-CB 3.85Å; L1084-A1092 HydrophobicContact CG-CB 3.97Å; L1084-Y1096 HydrophobicContact CD1-CE2 3.6Å; L1084-Y1096 HydrophobicContact CG-CE2 4Å; L1084-K1114 HydrophobicContact CD1-CB 4.1Å; L1084-K1114 HydrophobicContact CD1-CD 4.14Å; L1084-K1114 HydrophobicContact CD2-CB 4.33Å; L1084-A1115 HydrophobicContact CD2-CB 3.99Å |
| 1085 | Q | 91.2 | Very high | 94.2 | Very high | 111 Ų | 111 | 43 Ų | 43 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70 | -36.1 | 177.9 | -70.8 | 175.2 | -3.2 | 0 | 0 | 112.3 | S1081 I1082 Y1083 L1087 | S1081-Q1085 WeakPolarHBondContact O-CG 3.2Å; S1081-Q1085 PolarHBondContact O-N 3.37Å; S1081-Q1085 VanDerWaalsContact O-N 3.12Å; I1082-Q1085 PolarHBondContact O-N 3.18Å; I1082-Q1085 VanDerWaalsContact O-N 3.13Å; Y1083-Q1085 VanDerWaalsContact C-N 3.34Å; Q1085-L1087 PolarHBondContact O-N 3.06Å |
| 1086 | E | 93.7 | Very high | 94.4 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 1.4 | 173.8 | -70.8 | -172.3 | 179.3 | 0 | 0 | 114.1 | R1055 I1082 Y1083 K1088 | R1055-E1086 WeakPolarHBondContact CD-OE1 3.34Å; R1055-E1086 IonicContact CZ-OE2 3.71Å; R1055-E1086 IonicContact NE-OE2 3.29Å; R1055-E1086 IonicContact NH1-OE1 2.97Å; R1055-E1086 PolarHBondContact NH1-OE1 2.83Å; R1055-E1086 IonicContact NH1-OE2 2.96Å; R1055-E1086 PolarHBondContact NH1-OE2 2.97Å; I1082-E1086 HydrophobicContact CG2-CG 4.38Å; I1082-E1086 PolarHBondContact O-N 2.8Å; Y1083-E1086 PolarHBondContact O-N 3.42Å; E1086-K1088 HydrophobicContact CB-CG 4.22Å; E1086-K1088 PolarHBondContact O-N 3.03Å; E1086-K1088 WeakPolarHBondContact OE2-CD 3.36Å; E1086-K1088 WeakPolarHBondContact OE2-CE 3.44Å; E1086-K1088 IonicContact OE2-NZ 3.32Å |
| 1087 | L | 93.6 | Very high | 94.4 | Very high | 113 Ų | 113 | 46.2 Ų | 46.2 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 19.8 | -177.2 | -40.6 | 175.3 | 0 | 0 | 0 | 114.2 | Y1083 L1084 Q1085 Y1089 | Y1083-L1087 PolarHBondContact O-N 2.66Å; L1084-L1087 PolarHBondContact O-N 3.29Å; Q1085-L1087 PolarHBondContact O-N 3.06Å; L1087-Y1089 HydrophobicContact CB-CE1 4.38Å; L1087-Y1089 HydrophobicContact CB-CE2 4.18Å; L1087-Y1089 HydrophobicContact CD2-CE1 4.41Å; L1087-Y1089 WeakPolarHBondContact CD2-OH 3.38Å; L1087-Y1089 WeakPolarHBondContact O-CD2 3.36Å; L1087-Y1089 PolarHBondContact O-N 3.23Å |
| 1088 | K | 94.7 | Very high | 94.5 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | trans | -89.3 | 69.8 | 176.8 | -67.4 | -170 | -176.4 | -172.7 | 0 | 110.8 | R1055 Y1083 E1086 K1090 E1091 A1092 | R1055-K1088 VanDerWaalsContact CZ-NZ 3.33Å; R1055-K1088 VanDerWaalsContact NH2-NZ 3.16Å; Y1083-K1088 HydrophobicContact CD1-CB 3.83Å; Y1083-K1088 HydrophobicContact CD1-CD 3.99Å; Y1083-K1088 HydrophobicContact CD1-CG 4.5Å; Y1083-K1088 HydrophobicContact CE1-CD 4.15Å; Y1083-K1088 PolarHBondContact O-N 2.93Å; E1086-K1088 HydrophobicContact CB-CG 4.22Å; E1086-K1088 PolarHBondContact O-N 3.03Å; E1086-K1088 WeakPolarHBondContact OE2-CD 3.36Å; E1086-K1088 WeakPolarHBondContact OE2-CE 3.44Å; E1086-K1088 IonicContact OE2-NZ 3.32Å; K1088-K1090 PolarHBondContact O-N 3.5Å; K1088-E1091 HydrophobicContact CB-CB 4.46Å; K1088-E1091 WeakPolarHBondContact CB-OE2 3.25Å; K1088-A1092 WeakPolarHBondContact O-CB 3.2Å; K1088-A1092 PolarHBondContact O-N 3.39Å | ||
| 1089 | Y | 95.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -28.6 | -168 | -51 | -57.7 | 0 | 0 | 0 | 114.4 | L1084 L1087 K1093 R1118 | L1084-Y1089 HydrophobicContact CD2-CD1 4.05Å; L1087-Y1089 HydrophobicContact CB-CE1 4.38Å; L1087-Y1089 HydrophobicContact CB-CE2 4.18Å; L1087-Y1089 HydrophobicContact CD2-CE1 4.41Å; L1087-Y1089 WeakPolarHBondContact CD2-OH 3.38Å; L1087-Y1089 WeakPolarHBondContact O-CD2 3.36Å; L1087-Y1089 PolarHBondContact O-N 3.23Å; Y1089-K1093 WeakPolarHBondContact O-CB 2.98Å; Y1089-K1093 PolarHBondContact O-N 3.44Å; Y1089-R1118 HydrophobicContact CD1-CB 3.62Å; Y1089-R1118 HydrophobicContact CD1-CG 4.06Å; Y1089-R1118 HydrophobicContact CD2-CB 3.72Å; Y1089-R1118 HydrophobicContact CE1-CB 3.61Å; Y1089-R1118 HydrophobicContact CE1-CG 3.69Å; Y1089-R1118 HydrophobicContact CE2-CB 3.7Å; Y1089-R1118 HydrophobicContact CE2-CG 4.46Å; Y1089-R1118 HydrophobicContact CG-CB 3.67Å |
| 1090 | K | 95.6 | Very high | 94.1 | Very high | 143 Ų | 143 | 50.6 Ų | 50.6 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.9 | -47.9 | 178.7 | -65.2 | -175.8 | -179.9 | 174.8 | 0 | 110.5 | K1088 K1093 D1094 L1119 | K1088-K1090 PolarHBondContact O-N 3.5Å; K1090-K1093 WeakPolarHBondContact O-CB 3.42Å; K1090-K1093 PolarHBondContact O-N 3.22Å; K1090-D1094 PolarHBondContact O-N 2.92Å; K1090-D1094 VanDerWaalsContact O-N 3.14Å; K1090-L1119 HydrophobicContact CG-CD1 4.21Å; K1090-L1119 HydrophobicContact CG-CD2 3.69Å |
| 1091 | E | 94.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.9 | -61 | 85.9 | 163 | 0 | 0 | 110.8 | Y1083 K1088 K1093 D1094 I1095 | Y1083-E1091 HydrophobicContact CD1-CB 3.98Å; Y1083-E1091 HydrophobicContact CD2-CB 4.25Å; Y1083-E1091 HydrophobicContact CE1-CB 3.93Å; Y1083-E1091 HydrophobicContact CE1-CG 4.44Å; Y1083-E1091 HydrophobicContact CE2-CB 4.23Å; Y1083-E1091 HydrophobicContact CG-CB 4.12Å; K1088-E1091 HydrophobicContact CB-CB 4.46Å; K1088-E1091 WeakPolarHBondContact CB-OE2 3.25Å; E1091-K1093 VanDerWaalsContact C-N 3.34Å; E1091-K1093 PolarHBondContact O-N 3.3Å; E1091-D1094 PolarHBondContact O-N 2.96Å; E1091-I1095 WeakPolarHBondContact O-CG1 3.3Å; E1091-I1095 PolarHBondContact O-N 2.83Å |
| 1092 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56 | -47.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1084 K1088 D1094 I1095 Y1096 A1115 | L1084-A1092 HydrophobicContact CD2-CB 3.85Å; L1084-A1092 HydrophobicContact CG-CB 3.97Å; K1088-A1092 WeakPolarHBondContact O-CB 3.2Å; K1088-A1092 PolarHBondContact O-N 3.39Å; A1092-D1094 PolarHBondContact O-N 3.22Å; A1092-I1095 PolarHBondContact O-N 3.15Å; A1092-Y1096 HydrophobicContact CB-CD2 4.48Å; A1092-Y1096 WeakPolarHBondContact O-CB 3.46Å; A1092-Y1096 WeakPolarHBondContact O-CD2 3.46Å; A1092-Y1096 PolarHBondContact O-N 3.34Å; A1092-A1115 HydrophobicContact CB-CB 4.18Å |
| 1093 | K | 96 | Very high | 93 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 178.3 | 179.4 | -177.7 | 175.5 | -179 | 0 | 111.3 | Y1089 K1090 E1091 Y1096 L1097 A1115 L1119 E1121 | Y1089-K1093 WeakPolarHBondContact O-CB 2.98Å; Y1089-K1093 PolarHBondContact O-N 3.44Å; K1090-K1093 WeakPolarHBondContact O-CB 3.42Å; K1090-K1093 PolarHBondContact O-N 3.22Å; E1091-K1093 VanDerWaalsContact C-N 3.34Å; E1091-K1093 PolarHBondContact O-N 3.3Å; K1093-Y1096 PolarHBondContact O-N 3.4Å; K1093-L1097 HydrophobicContact CG-CD1 3.91Å; K1093-L1097 HydrophobicContact CG-CG 4.44Å; K1093-L1097 WeakPolarHBondContact O-CB 3.38Å; K1093-L1097 VanDerWaalsContact O-CG 3.25Å; K1093-L1097 WeakPolarHBondContact O-CG 3.14Å; K1093-L1097 PolarHBondContact O-N 3.44Å; K1093-A1115 HydrophobicContact CB-CB 3.93Å; K1093-L1119 HydrophobicContact CD-CD1 4.17Å; K1093-E1121 IonicContact NZ-OE1 3.3Å; K1093-E1121 IonicContact NZ-OE2 2.74Å; K1093-E1121 PolarHBondContact NZ-OE2 2.89Å |
| 1094 | D | 95.5 | Very high | 92.5 | Very high | 107 Ų | 107 | 63.9 Ų | 63.9 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | -178.2 | -72.5 | -20.8 | 0 | 0 | 0 | 112.5 | K1090 E1091 A1092 L1097 R1098 | K1090-D1094 PolarHBondContact O-N 2.92Å; K1090-D1094 VanDerWaalsContact O-N 3.14Å; E1091-D1094 PolarHBondContact O-N 2.96Å; A1092-D1094 PolarHBondContact O-N 3.22Å; D1094-L1097 PolarHBondContact O-N 3.36Å; D1094-R1098 PolarHBondContact O-N 2.73Å |
| 1095 | I | 94.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 176.9 | -66.5 | -58.7 | 0 | 0 | 0 | 111.4 | L1062 L1076 L1079 Y1083 E1091 A1092 L1097 R1098 A1099 | L1062-I1095 HydrophobicContact CD1-CD1 3.82Å; L1076-I1095 HydrophobicContact CB-CG2 4.33Å; L1076-I1095 HydrophobicContact CD2-CG2 4.1Å; L1076-I1095 WeakPolarHBondContact O-CG2 3.29Å; L1079-I1095 HydrophobicContact CB-CG2 4.32Å; L1079-I1095 HydrophobicContact CD2-CD1 3.94Å; L1079-I1095 HydrophobicContact CD2-CG1 4.16Å; L1079-I1095 HydrophobicContact CD2-CG2 4.27Å; L1079-I1095 HydrophobicContact CG-CG1 4.43Å; L1079-I1095 HydrophobicContact CG-CG2 4.25Å; Y1083-I1095 HydrophobicContact CD2-CG1 4.08Å; Y1083-I1095 HydrophobicContact CE2-CG1 3.82Å; E1091-I1095 WeakPolarHBondContact O-CG1 3.3Å; E1091-I1095 PolarHBondContact O-N 2.83Å; A1092-I1095 PolarHBondContact O-N 3.15Å; I1095-L1097 PolarHBondContact O-N 3.43Å; I1095-R1098 WeakPolarHBondContact O-CB 3.48Å; I1095-R1098 PolarHBondContact O-N 2.81Å; I1095-A1099 PolarHBondContact O-N 3.3Å |
| 1096 | Y | 95.9 | Very high | 92 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.8 | -80.5 | -62 | 0 | 0 | 0 | 112.1 | L1077 G1080 S1081 L1084 A1092 K1093 R1098 A1099 C1100 | L1077-Y1096 HydrophobicContact CD2-CD1 4.26Å; L1077-Y1096 HydrophobicContact CD2-CE1 3.85Å; G1080-Y1096 VanDerWaalsContact C-CE2 3.41Å; G1080-Y1096 VanDerWaalsContact C-OH 3.31Å; G1080-Y1096 WeakPolarHBondContact O-CE2 3.41Å; S1081-Y1096 WeakPolarHBondContact CA-OH 3.45Å; S1081-Y1096 PolarHBondContact N-OH 3.06Å; L1084-Y1096 HydrophobicContact CD1-CE2 3.6Å; L1084-Y1096 HydrophobicContact CG-CE2 4Å; A1092-Y1096 HydrophobicContact CB-CD2 4.48Å; A1092-Y1096 WeakPolarHBondContact O-CB 3.46Å; A1092-Y1096 WeakPolarHBondContact O-CD2 3.46Å; A1092-Y1096 PolarHBondContact O-N 3.34Å; K1093-Y1096 PolarHBondContact O-N 3.4Å; Y1096-R1098 VanDerWaalsContact C-N 3.3Å; Y1096-R1098 PolarHBondContact O-N 3.27Å; Y1096-A1099 CarbonylContact O-C 3.59Å; Y1096-A1099 WeakPolarHBondContact O-CA 3.43Å; Y1096-A1099 WeakPolarHBondContact O-CB 3.46Å; Y1096-A1099 PolarHBondContact O-N 3.08Å; Y1096-A1099 VanDerWaalsContact O-N 3.09Å; Y1096-C1100 PolarHBondContact O-N 3.45Å; Y1096-C1100 PolarHBondContact O-SG 3.37Å |
| 1097 | L | 95 | Very high | 91.8 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 173.5 | -74.9 | 173.2 | 0 | 0 | 0 | 112.1 | K1093 D1094 I1095 A1099 C1100 K1101 V1112 | K1093-L1097 HydrophobicContact CG-CD1 3.91Å; K1093-L1097 HydrophobicContact CG-CG 4.44Å; K1093-L1097 WeakPolarHBondContact O-CB 3.38Å; K1093-L1097 VanDerWaalsContact O-CG 3.25Å; K1093-L1097 WeakPolarHBondContact O-CG 3.14Å; K1093-L1097 PolarHBondContact O-N 3.44Å; D1094-L1097 PolarHBondContact O-N 3.36Å; I1095-L1097 PolarHBondContact O-N 3.43Å; L1097-A1099 VanDerWaalsContact C-N 3.35Å; L1097-C1100 PolarHBondContact O-N 2.93Å; L1097-K1101 VanDerWaalsContact O-CG 3.31Å; L1097-K1101 WeakPolarHBondContact O-CG 3.37Å; L1097-K1101 PolarHBondContact O-N 3.36Å; L1097-V1112 HydrophobicContact CD2-CG1 4.06Å; L1097-V1112 HydrophobicContact CD2-CG2 3.94Å; L1097-V1112 HydrophobicContact CG-CG1 4.39Å; L1097-V1112 HydrophobicContact CG-CG2 4.07Å |
| 1098 | R | 92.1 | Very high | 91.7 | Very high | 118 Ų | 118 | 51 Ų | 51 | 45% | 0.445 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.9 | -39 | 171.2 | -177 | 178.5 | -100.9 | -168.1 | -4.9 | 111.3 | L1076 D1094 I1095 Y1096 K1101 N1102 | L1076-R1098 HydrophobicContact CD1-CG 4.21Å; D1094-R1098 PolarHBondContact O-N 2.73Å; I1095-R1098 WeakPolarHBondContact O-CB 3.48Å; I1095-R1098 PolarHBondContact O-N 2.81Å; Y1096-R1098 VanDerWaalsContact C-N 3.3Å; Y1096-R1098 PolarHBondContact O-N 3.27Å; R1098-K1101 PolarHBondContact O-N 3.15Å; R1098-N1102 PolarHBondContact O-N 3.5Å |
| 1099 | A | 90.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1076 I1095 Y1096 L1097 K1101 N1102 S1103 T1108 | L1076-A1099 HydrophobicContact CB-CB 3.89Å; L1076-A1099 HydrophobicContact CD1-CB 4.15Å; I1095-A1099 PolarHBondContact O-N 3.3Å; Y1096-A1099 CarbonylContact O-C 3.59Å; Y1096-A1099 WeakPolarHBondContact O-CA 3.43Å; Y1096-A1099 WeakPolarHBondContact O-CB 3.46Å; Y1096-A1099 PolarHBondContact O-N 3.08Å; Y1096-A1099 VanDerWaalsContact O-N 3.09Å; L1097-A1099 VanDerWaalsContact C-N 3.35Å; A1099-K1101 VanDerWaalsContact C-N 3.29Å; A1099-K1101 PolarHBondContact O-N 2.69Å; A1099-N1102 PolarHBondContact O-N 3.19Å; A1099-N1102 VanDerWaalsContact O-N 3.1Å; A1099-S1103 CarbonylContact O-C 3.4Å; A1099-S1103 PolarHBondContact O-N 2.93Å; A1099-T1108 HydrophobicContact CB-CG2 3.7Å |
| 1100 | C | 89.6 | Confident | 91.5 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -38.8 | 176 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | Y1096 L1097 N1102 P1104 T1108 W1109 | Y1096-C1100 PolarHBondContact O-N 3.45Å; Y1096-C1100 PolarHBondContact O-SG 3.37Å; L1097-C1100 PolarHBondContact O-N 2.93Å; C1100-N1102 VanDerWaalsContact C-N 3.32Å; C1100-N1102 PolarHBondContact O-N 2.75Å; C1100-P1104 WeakPolarHBondContact O-CD 3.41Å; C1100-T1108 WeakPolarHBondContact SG-CB 3.48Å; C1100-T1108 PolarHBondContact SG-OG1 2.95Å; C1100-T1108 VanDerWaalsContact SG-OG1 3.33Å; C1100-W1109 HydrophobicContact CB-CZ2 4.34Å |
| 1101 | K | 89 | Confident | 91.4 | Very high | 185 Ų | 185 | 41.8 Ų | 41.8 | 80% | 0.804 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.6 | -34 | 176.8 | -77.5 | 174.3 | -177.1 | 177.6 | 0 | 112.9 | L1097 R1098 A1099 | L1097-K1101 VanDerWaalsContact O-CG 3.31Å; L1097-K1101 WeakPolarHBondContact O-CG 3.37Å; L1097-K1101 PolarHBondContact O-N 3.36Å; R1098-K1101 PolarHBondContact O-N 3.15Å; A1099-K1101 VanDerWaalsContact C-N 3.29Å; A1099-K1101 PolarHBondContact O-N 2.69Å |
| 1102 | N | 84.9 | Confident | 91.4 | Very high | 73 Ų | 73 | 38 Ų | 38 | 39% | 0.39 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -82.6 | -54.6 | 177.5 | -174.6 | -3 | 0 | 0 | 0 | 111 | Q1072 R1098 A1099 C1100 | Q1072-N1102 PolarHBondContact NE2-ND2 2.75Å; Q1072-N1102 PolarHBondContact OE1-ND2 3.41Å; R1098-N1102 PolarHBondContact O-N 3.5Å; A1099-N1102 PolarHBondContact O-N 3.19Å; A1099-N1102 VanDerWaalsContact O-N 3.1Å; C1100-N1102 VanDerWaalsContact C-N 3.32Å; C1100-N1102 PolarHBondContact O-N 2.75Å |
| 1103 | S | 84.6 | Confident | 91.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | trans | -146.8 | 98.2 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | R641 H1073 A1099 T1105 | R641-S1103 PolarHBondContact NH1-OG 3.08Å; H1073-S1103 PolarHBondContact CE1-O 3.01Å; H1073-S1103 VanDerWaalsContact CE1-O 3.27Å; A1099-S1103 CarbonylContact O-C 3.4Å; A1099-S1103 PolarHBondContact O-N 2.93Å; S1103-T1105 PolarHBondContact O-N 3.34Å | ||
| 1104 | P | 86.4 | Confident | 91.3 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | trans | -72.4 | 119.5 | -179.7 | 28.5 | -32.4 | 0 | 0 | 0 | 110.7 | C1100 | C1100-P1104 WeakPolarHBondContact O-CD 3.41Š| ||
| 1105 | T | 86.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -129.2 | 165.1 | 175.5 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | Y642 E645 S1103 A1107 T1108 W1109 | Y642-T1105 HydrophobicContact CD1-CG2 3.85Å; Y642-T1105 HydrophobicContact CE1-CG2 3.75Å; E645-T1105 VanDerWaalsContact CD-OG1 3.27Å; E645-T1105 PolarHBondContact OE1-OG1 3.48Å; E645-T1105 VanDerWaalsContact OE1-OG1 3.13Å; E645-T1105 WeakPolarHBondContact OE2-CB 3.26Å; E645-T1105 WeakPolarHBondContact OE2-CG2 3.42Å; E645-T1105 PolarHBondContact OE2-OG1 2.61Å; S1103-T1105 PolarHBondContact O-N 3.34Å; T1105-A1107 VanDerWaalsContact C-N 3.26Å; T1105-A1107 PolarHBondContact O-N 3.29Å; T1105-A1107 PolarHBondContact OG1-N 3.42Å; T1105-T1108 PolarHBondContact N-OG1 3.11Å; T1105-T1108 PolarHBondContact O-N 3.28Å; T1105-T1108 PolarHBondContact O-OG1 3.34Å; T1105-T1108 WeakPolarHBondContact OG1-CG2 3.43Å; T1105-T1108 PolarHBondContact OG1-N 3.35Å; T1105-W1109 PolarHBondContact O-N 3.06Å; T1105-W1109 VanDerWaalsContact O-N 3.11Å | ||
| 1106 | C | 87.7 | Confident | 91.4 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.1 | -41.7 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | T1108 W1109 L1110 I1135 N1136 | C1106-T1108 PolarHBondContact O-N 3.27Å; C1106-W1109 PolarHBondContact O-N 3.26Å; C1106-L1110 WeakPolarHBondContact O-CB 3.25Å; C1106-L1110 PolarHBondContact O-N 3.03Å; C1106-I1135 HydrophobicContact CB-CB 4.48Å; C1106-I1135 HydrophobicContact CB-CG2 4.07Å; C1106-N1136 HydrophobicContact CB-CB 3.82Å |
| 1107 | A | 88.9 | Confident | 91.4 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E645 L1077 T1105 G1111 | E645-A1107 WeakPolarHBondContact OE1-CB 3.31Å; L1077-A1107 HydrophobicContact CD2-CB 4.31Å; T1105-A1107 VanDerWaalsContact C-N 3.26Å; T1105-A1107 PolarHBondContact O-N 3.29Å; T1105-A1107 PolarHBondContact OG1-N 3.42Å; A1107-G1111 PolarHBondContact O-N 3.45Å |
| 1108 | T | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -49.6 | 176.5 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | L1077 A1099 C1100 T1105 C1106 G1111 V1112 | L1077-T1108 HydrophobicContact CD2-CG2 3.55Å; L1077-T1108 HydrophobicContact CG-CG2 4.45Å; A1099-T1108 HydrophobicContact CB-CG2 3.7Å; C1100-T1108 WeakPolarHBondContact SG-CB 3.48Å; C1100-T1108 PolarHBondContact SG-OG1 2.95Å; C1100-T1108 VanDerWaalsContact SG-OG1 3.33Å; T1105-T1108 PolarHBondContact N-OG1 3.11Å; T1105-T1108 PolarHBondContact O-N 3.28Å; T1105-T1108 PolarHBondContact O-OG1 3.34Å; T1105-T1108 WeakPolarHBondContact OG1-CG2 3.43Å; T1105-T1108 PolarHBondContact OG1-N 3.35Å; C1106-T1108 PolarHBondContact O-N 3.27Å; T1108-G1111 WeakPolarHBondContact O-CA 3.47Å; T1108-G1111 PolarHBondContact O-N 3.39Å; T1108-G1111 VanDerWaalsContact O-N 3.14Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.35Å; T1108-V1112 PolarHBondContact O-N 3.13Å |
| 1109 | W | 94.2 | Very high | 91.4 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.6 | -36.6 | -179.9 | -78 | 116.7 | 0 | 0 | 0 | 112.7 | C1100 T1105 C1106 G1111 V1112 G1113 A1128 E1131 A1132 | C1100-W1109 HydrophobicContact CB-CZ2 4.34Å; T1105-W1109 PolarHBondContact O-N 3.06Å; T1105-W1109 VanDerWaalsContact O-N 3.11Å; C1106-W1109 PolarHBondContact O-N 3.26Å; W1109-G1111 VanDerWaalsContact C-N 3.3Å; W1109-V1112 HydrophobicContact CE3-CB 4.46Å; W1109-V1112 HydrophobicContact CE3-CG2 4.49Å; W1109-V1112 PolarHBondContact O-N 3.06Å; W1109-G1113 PolarHBondContact O-N 3.46Å; W1109-A1128 HydrophobicContact CE3-CB 4Å; W1109-A1128 HydrophobicContact CZ3-CB 4.47Å; W1109-E1131 HydrophobicContact CD2-CB 4.01Å; W1109-E1131 HydrophobicContact CE3-CB 4.45Å; W1109-E1131 HydrophobicContact CG-CB 4.14Å; W1109-A1132 HydrophobicContact CB-CB 3.74Å |
| 1110 | L | 92.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 170.3 | 177.2 | 60.1 | 0 | 0 | 0 | 110.9 | C1106 G1113 K1114 L1129 E1141 V1142 Y1145 | C1106-L1110 WeakPolarHBondContact O-CB 3.25Å; C1106-L1110 PolarHBondContact O-N 3.03Å; L1110-G1113 PolarHBondContact O-N 2.69Å; L1110-K1114 HydrophobicContact CD1-CD 4.45Å; L1110-K1114 HydrophobicContact CD1-CG 4.2Å; L1110-K1114 HydrophobicContact CG-CD 4.29Å; L1110-K1114 HydrophobicContact CG-CG 4.46Å; L1110-K1114 WeakPolarHBondContact O-CB 3.12Å; L1110-K1114 VanDerWaalsContact O-CG 3.25Å; L1110-K1114 WeakPolarHBondContact O-CG 3.07Å; L1110-K1114 PolarHBondContact O-N 3.36Å; L1110-L1129 HydrophobicContact CD1-CD2 3.73Å; L1110-E1141 HydrophobicContact CD1-CB 4.28Å; L1110-E1141 HydrophobicContact CD2-CB 3.97Å; L1110-E1141 WeakPolarHBondContact CD2-OE2 3.47Å; L1110-V1142 HydrophobicContact CB-CG2 4.45Å; L1110-V1142 HydrophobicContact CD1-CG2 3.99Å; L1110-V1142 HydrophobicContact CD2-CG2 4.39Å; L1110-Y1145 HydrophobicContact CD1-CD2 4.26Å |
| 1111 | G | 92.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1107 T1108 W1109 K1114 A1115 | A1107-G1111 PolarHBondContact O-N 3.45Å; T1108-G1111 WeakPolarHBondContact O-CA 3.47Å; T1108-G1111 PolarHBondContact O-N 3.39Å; T1108-G1111 VanDerWaalsContact O-N 3.14Å; W1109-G1111 VanDerWaalsContact C-N 3.3Å; G1111-K1114 PolarHBondContact O-N 3.02Å; G1111-A1115 WeakPolarHBondContact O-CB 3.24Å; G1111-A1115 PolarHBondContact O-N 3.48Å |
| 1112 | V | 96.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L1097 T1108 W1109 K1114 A1115 C1116 A1128 | L1097-V1112 HydrophobicContact CD2-CG1 4.06Å; L1097-V1112 HydrophobicContact CD2-CG2 3.94Å; L1097-V1112 HydrophobicContact CG-CG1 4.39Å; L1097-V1112 HydrophobicContact CG-CG2 4.07Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.35Å; T1108-V1112 PolarHBondContact O-N 3.13Å; W1109-V1112 HydrophobicContact CE3-CB 4.46Å; W1109-V1112 HydrophobicContact CE3-CG2 4.49Å; W1109-V1112 PolarHBondContact O-N 3.06Å; V1112-K1114 PolarHBondContact O-N 3.17Å; V1112-A1115 PolarHBondContact O-N 2.7Å; V1112-C1116 WeakPolarHBondContact O-CB 3.43Å; V1112-C1116 PolarHBondContact O-N 3.33Å; V1112-C1116 PolarHBondContact O-SG 3.05Å; V1112-A1128 HydrophobicContact CB-CB 4.1Å; V1112-A1128 HydrophobicContact CG1-CB 3.83Å |
| 1113 | G | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1109 L1110 Y1117 | W1109-G1113 PolarHBondContact O-N 3.46Å; L1110-G1113 PolarHBondContact O-N 2.69Å; G1113-Y1117 VanDerWaalsContact O-CB 3.23Å; G1113-Y1117 WeakPolarHBondContact O-CB 3.33Å; G1113-Y1117 PolarHBondContact O-N 3.13Å |
| 1114 | K | 94.2 | Very high | 92.7 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 173.5 | -75.1 | 179.1 | 178.6 | -175.5 | 0 | 111.1 | L1084 L1110 G1111 V1112 Y1117 R1118 E1141 Y1145 | L1084-K1114 HydrophobicContact CD1-CB 4.1Å; L1084-K1114 HydrophobicContact CD1-CD 4.14Å; L1084-K1114 HydrophobicContact CD2-CB 4.33Å; L1110-K1114 HydrophobicContact CD1-CD 4.45Å; L1110-K1114 HydrophobicContact CD1-CG 4.2Å; L1110-K1114 HydrophobicContact CG-CD 4.29Å; L1110-K1114 HydrophobicContact CG-CG 4.46Å; L1110-K1114 WeakPolarHBondContact O-CB 3.12Å; L1110-K1114 VanDerWaalsContact O-CG 3.25Å; L1110-K1114 WeakPolarHBondContact O-CG 3.07Å; L1110-K1114 PolarHBondContact O-N 3.36Å; G1111-K1114 PolarHBondContact O-N 3.02Å; V1112-K1114 PolarHBondContact O-N 3.17Å; K1114-Y1117 PolarHBondContact O-N 3.05Å; K1114-R1118 VanDerWaalsContact O-CG 3.23Å; K1114-R1118 WeakPolarHBondContact O-CG 3.49Å; K1114-R1118 PolarHBondContact O-N 3.03Å; K1114-R1118 VanDerWaalsContact O-N 3.08Å; K1114-E1141 WeakPolarHBondContact CE-OE2 3.39Å; K1114-E1141 IonicContact NZ-OE2 3.17Å; K1114-E1141 PolarHBondContact NZ-OE2 3.49Å; K1114-Y1145 HydrophobicContact CD-CE2 4.13Å; K1114-Y1145 HydrophobicContact CG-CD2 4.15Å; K1114-Y1145 HydrophobicContact CG-CE1 4.13Å; K1114-Y1145 HydrophobicContact CG-CE2 3.66Å |
| 1115 | A | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L1084 A1092 K1093 G1111 V1112 Y1117 R1118 L1119 | L1084-A1115 HydrophobicContact CD2-CB 3.99Å; A1092-A1115 HydrophobicContact CB-CB 4.18Å; K1093-A1115 HydrophobicContact CB-CB 3.93Å; G1111-A1115 WeakPolarHBondContact O-CB 3.24Å; G1111-A1115 PolarHBondContact O-N 3.48Å; V1112-A1115 PolarHBondContact O-N 2.7Å; A1115-Y1117 PolarHBondContact O-N 3.42Å; A1115-R1118 PolarHBondContact O-N 3.5Å; A1115-L1119 WeakPolarHBondContact O-CG 3.41Å; A1115-L1119 PolarHBondContact O-N 2.92Å |
| 1116 | C | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.7 | -70 | 0 | 0 | 0 | 0 | 112.3 | V1112 R1118 L1119 E1120 E1121 N1124 A1125 | V1112-C1116 WeakPolarHBondContact O-CB 3.43Å; V1112-C1116 PolarHBondContact O-N 3.33Å; V1112-C1116 PolarHBondContact O-SG 3.05Å; C1116-R1118 VanDerWaalsContact C-N 3.33Å; C1116-R1118 PolarHBondContact O-N 2.96Å; C1116-L1119 CarbonylContact O-C 3.58Å; C1116-L1119 PolarHBondContact O-N 2.88Å; C1116-E1120 PolarHBondContact O-N 3.17Å; C1116-E1121 HydrophobicContact CB-CB 4.42Å; C1116-E1121 PolarHBondContact O-N 3Å; C1116-N1124 HydrophobicContact CB-CB 4.27Å; C1116-A1125 HydrophobicContact CB-CB 3.72Å |
| 1117 | Y | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.2 | -179.4 | -94.3 | 0 | 0 | 0 | 111.6 | G1113 K1114 A1115 L1119 E1120 L1122 Y1145 M1148 I1149 K1152 | G1113-Y1117 VanDerWaalsContact O-CB 3.23Å; G1113-Y1117 WeakPolarHBondContact O-CB 3.33Å; G1113-Y1117 PolarHBondContact O-N 3.13Å; K1114-Y1117 PolarHBondContact O-N 3.05Å; A1115-Y1117 PolarHBondContact O-N 3.42Å; Y1117-L1119 VanDerWaalsContact C-N 3.32Å; Y1117-E1120 PolarHBondContact O-N 2.77Å; Y1117-E1120 VanDerWaalsContact O-N 3.15Å; Y1117-L1122 HydrophobicContact CD2-CD2 4.05Å; Y1117-L1122 HydrophobicContact CE2-CD2 4.1Å; Y1117-Y1145 HydrophobicContact CD1-CD1 4.06Å; Y1117-Y1145 HydrophobicContact CD1-CE1 4.01Å; Y1117-Y1145 HydrophobicContact CG-CD1 4.05Å; Y1117-Y1145 HydrophobicContact CG-CE1 4.39Å; Y1117-M1148 HydrophobicContact CE1-CE 3.55Å; Y1117-M1148 HydrophobicContact CE2-CB 4.01Å; Y1117-M1148 WeakPolarHBondContact OH-CE 3.48Å; Y1117-I1149 HydrophobicContact CD2-CD1 4.19Å; Y1117-I1149 HydrophobicContact CD2-CG1 3.51Å; Y1117-I1149 HydrophobicContact CE2-CG1 3.78Å; Y1117-K1152 HydrophobicContact CE2-CD 3.96Å; Y1117-K1152 WeakPolarHBondContact OH-CD 3.3Å; Y1117-K1152 WeakPolarHBondContact OH-CE 3.42Å; Y1117-K1152 PolarHBondContact OH-NZ 3.4Å |
| 1118 | R | 93.9 | Very high | 94 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.3 | -25.9 | 178 | -64 | -69 | 178.8 | -146 | -1.3 | 113.1 | Y1089 K1114 A1115 C1116 E1120 E1179 | Y1089-R1118 HydrophobicContact CD1-CB 3.62Å; Y1089-R1118 HydrophobicContact CD1-CG 4.06Å; Y1089-R1118 HydrophobicContact CD2-CB 3.72Å; Y1089-R1118 HydrophobicContact CE1-CB 3.61Å; Y1089-R1118 HydrophobicContact CE1-CG 3.69Å; Y1089-R1118 HydrophobicContact CE2-CB 3.7Å; Y1089-R1118 HydrophobicContact CE2-CG 4.46Å; Y1089-R1118 HydrophobicContact CG-CB 3.67Å; K1114-R1118 VanDerWaalsContact O-CG 3.23Å; K1114-R1118 WeakPolarHBondContact O-CG 3.49Å; K1114-R1118 PolarHBondContact O-N 3.03Å; K1114-R1118 VanDerWaalsContact O-N 3.08Å; A1115-R1118 PolarHBondContact O-N 3.5Å; C1116-R1118 VanDerWaalsContact C-N 3.33Å; C1116-R1118 PolarHBondContact O-N 2.96Å; R1118-E1120 PolarHBondContact O-N 3.48Å; R1118-E1179 IonicContact CZ-OE1 2.76Å; R1118-E1179 IonicContact CZ-OE2 3.58Å; R1118-E1179 IonicContact NH1-OE1 3.29Å; R1118-E1179 PolarHBondContact NH1-OE1 3.35Å; R1118-E1179 IonicContact NH1-OE2 2.67Å; R1118-E1179 PolarHBondContact NH1-OE2 3.29Å; R1118-E1179 IonicContact NH2-OE1 3.55Å; R1118-E1179 IonicContact NH2-OE2 3.6Å; R1118-E1179 PolarHBondContact NH2-OE2 3.28Å |
| 1119 | L | 94.7 | Very high | 94.2 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.7 | 170 | -71.6 | 171.2 | 0 | 0 | 0 | 114 | K1090 K1093 A1115 C1116 Y1117 E1121 | K1090-L1119 HydrophobicContact CG-CD1 4.21Å; K1090-L1119 HydrophobicContact CG-CD2 3.69Å; K1093-L1119 HydrophobicContact CD-CD1 4.17Å; A1115-L1119 WeakPolarHBondContact O-CG 3.41Å; A1115-L1119 PolarHBondContact O-N 2.92Å; C1116-L1119 CarbonylContact O-C 3.58Å; C1116-L1119 PolarHBondContact O-N 2.88Å; Y1117-L1119 VanDerWaalsContact C-N 3.32Å; L1119-E1121 HydrophobicContact CB-CG 4.17Å; L1119-E1121 PolarHBondContact O-N 3.45Å |
| 1120 | E | 92.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 44.2 Ų | 44.2 | 72% | 0.724 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 15.2 | -174.5 | -53 | -173 | 158.4 | 0 | 0 | 114.6 | C1116 Y1117 R1118 L1122 | C1116-E1120 PolarHBondContact O-N 3.17Å; Y1117-E1120 PolarHBondContact O-N 2.77Å; Y1117-E1120 VanDerWaalsContact O-N 3.15Å; R1118-E1120 PolarHBondContact O-N 3.48Å; E1120-L1122 VanDerWaalsContact C-N 3.26Å; E1120-L1122 PolarHBondContact O-N 2.86Å |
| 1121 | E | 94.1 | Very high | 94 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | trans | -83.4 | 69.2 | 172.9 | -62.6 | -179.8 | -171 | 0 | 0 | 110.1 | K1093 C1116 L1119 E1123 N1124 A1125 | K1093-E1121 IonicContact NZ-OE1 3.3Å; K1093-E1121 IonicContact NZ-OE2 2.74Å; K1093-E1121 PolarHBondContact NZ-OE2 2.89Å; C1116-E1121 HydrophobicContact CB-CB 4.42Å; C1116-E1121 PolarHBondContact O-N 3Å; L1119-E1121 HydrophobicContact CB-CG 4.17Å; L1119-E1121 PolarHBondContact O-N 3.45Å; E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 3.06Å; E1121-N1124 HydrophobicContact CB-CB 4.23Å; E1121-N1124 PolarHBondContact O-N 3.27Å; E1121-N1124 PolarHBondContact OE2-ND2 3.41Å; E1121-A1125 WeakPolarHBondContact O-CB 3.39Å; E1121-A1125 PolarHBondContact O-N 2.91Å | ||
| 1122 | L | 92.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -36.6 | -170.8 | -60.3 | -179.4 | 0 | 0 | 0 | 113.7 | Y1117 E1120 A1125 E1126 K1152 T1153 | Y1117-L1122 HydrophobicContact CD2-CD2 4.05Å; Y1117-L1122 HydrophobicContact CE2-CD2 4.1Å; E1120-L1122 VanDerWaalsContact C-N 3.26Å; E1120-L1122 PolarHBondContact O-N 2.86Å; L1122-A1125 PolarHBondContact O-N 3.41Å; L1122-E1126 WeakPolarHBondContact O-CB 3.37Å; L1122-E1126 PolarHBondContact O-N 3.35Å; L1122-K1152 HydrophobicContact CD1-CB 4.02Å; L1122-K1152 HydrophobicContact CD1-CD 4.4Å; L1122-K1152 HydrophobicContact CD2-CD 3.95Å; L1122-T1153 HydrophobicContact CD1-CG2 4.23Å |
| 1123 | E | 93.4 | Very high | 93.5 | Very high | 160 Ų | 160 | 49.3 Ų | 49.3 | 75% | 0.748 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.8 | -50.9 | 179.1 | -64.4 | 170.1 | 177.4 | 0 | 0 | 111 | E1121 A1125 E1126 E1127 | E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 3.06Å; E1123-A1125 VanDerWaalsContact C-N 3.3Å; E1123-A1125 PolarHBondContact O-N 3.27Å; E1123-E1126 PolarHBondContact O-N 2.82Å; E1123-E1127 PolarHBondContact O-N 3.27Å; E1123-E1127 VanDerWaalsContact O-N 3.11Å |
| 1124 | N | 93.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 177 | -66.9 | -24.7 | 0 | 0 | 0 | 111.9 | C1116 E1121 A1128 | C1116-N1124 HydrophobicContact CB-CB 4.27Å; E1121-N1124 HydrophobicContact CB-CB 4.23Å; E1121-N1124 PolarHBondContact O-N 3.27Å; E1121-N1124 PolarHBondContact OE2-ND2 3.41Å; N1124-A1128 WeakPolarHBondContact O-CB 3.22Å; N1124-A1128 PolarHBondContact O-N 3.38Å; N1124-A1128 VanDerWaalsContact O-N 3.08Å |
| 1125 | A | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1116 E1121 L1122 E1123 L1129 I1149 | C1116-A1125 HydrophobicContact CB-CB 3.72Å; E1121-A1125 WeakPolarHBondContact O-CB 3.39Å; E1121-A1125 PolarHBondContact O-N 2.91Å; L1122-A1125 PolarHBondContact O-N 3.41Å; E1123-A1125 VanDerWaalsContact C-N 3.3Å; E1123-A1125 PolarHBondContact O-N 3.27Å; A1125-L1129 WeakPolarHBondContact O-CB 3.13Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.38Å; A1125-L1129 VanDerWaalsContact O-CG 3.23Å; A1125-L1129 WeakPolarHBondContact O-CG 3.35Å; A1125-L1129 PolarHBondContact O-N 3.25Å; A1125-I1149 HydrophobicContact CB-CD1 3.71Å |
| 1126 | E | 94.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 176.8 | -172.1 | 172.9 | 176.8 | 0 | 0 | 111.1 | L1122 E1123 A1128 L1129 T1130 I1149 R1155 | L1122-E1126 WeakPolarHBondContact O-CB 3.37Å; L1122-E1126 PolarHBondContact O-N 3.35Å; E1123-E1126 PolarHBondContact O-N 2.82Å; E1126-A1128 PolarHBondContact O-N 2.89Å; E1126-L1129 PolarHBondContact O-N 2.99Å; E1126-T1130 HydrophobicContact CG-CG2 4.23Å; E1126-T1130 VanDerWaalsContact O-CG2 3.24Å; E1126-T1130 WeakPolarHBondContact O-CG2 3.24Å; E1126-T1130 PolarHBondContact O-N 3.39Å; E1126-T1130 PolarHBondContact O-OG1 3.11Å; E1126-I1149 HydrophobicContact CB-CD1 4.42Å; E1126-I1149 HydrophobicContact CB-CG2 4.23Å; E1126-R1155 VanDerWaalsContact CD-NH1 3.33Å; E1126-R1155 VanDerWaalsContact CD-NH2 3.29Å; E1126-R1155 IonicContact OE1-CZ 2.94Å; E1126-R1155 IonicContact OE1-NH1 2.72Å; E1126-R1155 PolarHBondContact OE1-NH1 2.79Å; E1126-R1155 IonicContact OE1-NH2 3.8Å; E1126-R1155 PolarHBondContact OE1-NH2 2.63Å; E1126-R1155 IonicContact OE2-CZ 2.72Å; E1126-R1155 IonicContact OE2-NH1 3.47Å; E1126-R1155 PolarHBondContact OE2-NH1 2.6Å; E1126-R1155 VanDerWaalsContact OE2-NH1 3.16Å; E1126-R1155 IonicContact OE2-NH2 3.44Å; E1126-R1155 PolarHBondContact OE2-NH2 3.03Å |
| 1127 | E | 94.4 | Very high | 91.2 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.3 | -51.5 | 177.1 | -70 | -175.6 | -179.7 | 0 | 0 | 111.2 | E1123 L1129 T1130 E1131 | E1123-E1127 PolarHBondContact O-N 3.27Å; E1123-E1127 VanDerWaalsContact O-N 3.11Å; E1127-L1129 VanDerWaalsContact C-N 3.33Å; E1127-L1129 PolarHBondContact O-N 3.24Å; E1127-T1130 WeakPolarHBondContact CA-OG1 3.07Å; E1127-T1130 PolarHBondContact O-N 2.79Å; E1127-T1130 PolarHBondContact O-OG1 3.39Å; E1127-E1131 PolarHBondContact O-N 3.12Å |
| 1128 | A | 93.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1109 V1112 N1124 E1126 E1131 A1132 | W1109-A1128 HydrophobicContact CE3-CB 4Å; W1109-A1128 HydrophobicContact CZ3-CB 4.47Å; V1112-A1128 HydrophobicContact CB-CB 4.1Å; V1112-A1128 HydrophobicContact CG1-CB 3.83Å; N1124-A1128 WeakPolarHBondContact O-CB 3.22Å; N1124-A1128 PolarHBondContact O-N 3.38Å; N1124-A1128 VanDerWaalsContact O-N 3.08Å; E1126-A1128 PolarHBondContact O-N 2.89Å; A1128-E1131 PolarHBondContact O-N 3.09Å; A1128-A1132 PolarHBondContact O-N 2.81Å |
| 1129 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75 | -29.9 | 179.3 | -69.9 | 163.6 | 0 | 0 | 0 | 112.8 | L1110 A1125 E1126 E1127 E1131 A1132 N1133 V1142 Y1145 L1146 I1149 | L1110-L1129 HydrophobicContact CD1-CD2 3.73Å; A1125-L1129 WeakPolarHBondContact O-CB 3.13Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.38Å; A1125-L1129 VanDerWaalsContact O-CG 3.23Å; A1125-L1129 WeakPolarHBondContact O-CG 3.35Å; A1125-L1129 PolarHBondContact O-N 3.25Å; E1126-L1129 PolarHBondContact O-N 2.99Å; E1127-L1129 VanDerWaalsContact C-N 3.33Å; E1127-L1129 PolarHBondContact O-N 3.24Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; L1129-A1132 PolarHBondContact O-N 3.05Å; L1129-N1133 VanDerWaalsContact O-CB 3.27Å; L1129-N1133 WeakPolarHBondContact O-CB 3.03Å; L1129-N1133 PolarHBondContact O-N 2.99Å; L1129-V1142 HydrophobicContact CD2-CG1 4.37Å; L1129-V1142 WeakPolarHBondContact O-CG1 3.47Å; L1129-Y1145 VanDerWaalsContact CD1-CB 3.48Å; L1129-L1146 HydrophobicContact CB-CD2 3.65Å; L1129-L1146 HydrophobicContact CB-CG 3.93Å; L1129-L1146 HydrophobicContact CD1-CD2 4.44Å; L1129-I1149 HydrophobicContact CD1-CD1 3.4Å |
| 1130 | T | 91.9 | Very high | 89.8 | Confident | 59 Ų | 59 | 61 Ų | 61 | 36% | 0.362 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 171.9 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | E1126 E1127 N1133 Y1134 L1146 | E1126-T1130 HydrophobicContact CG-CG2 4.23Å; E1126-T1130 VanDerWaalsContact O-CG2 3.24Å; E1126-T1130 WeakPolarHBondContact O-CG2 3.24Å; E1126-T1130 PolarHBondContact O-N 3.39Å; E1126-T1130 PolarHBondContact O-OG1 3.11Å; E1127-T1130 WeakPolarHBondContact CA-OG1 3.07Å; E1127-T1130 PolarHBondContact O-N 2.79Å; E1127-T1130 PolarHBondContact O-OG1 3.39Å; T1130-N1133 PolarHBondContact O-N 2.97Å; T1130-Y1134 WeakPolarHBondContact O-CB 3.26Å; T1130-Y1134 PolarHBondContact O-N 2.58Å; T1130-L1146 HydrophobicContact CG2-CD2 4.38Å |
| 1131 | E | 90.2 | Very high | 89.7 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 171.4 | -66.9 | -58 | 143.1 | 0 | 0 | 111.6 | W1109 E1127 A1128 L1129 N1133 Y1134 I1135 | W1109-E1131 HydrophobicContact CD2-CB 4.01Å; W1109-E1131 HydrophobicContact CE3-CB 4.45Å; W1109-E1131 HydrophobicContact CG-CB 4.14Å; E1127-E1131 PolarHBondContact O-N 3.12Å; A1128-E1131 PolarHBondContact O-N 3.09Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; E1131-N1133 VanDerWaalsContact C-N 3.31Å; E1131-N1133 PolarHBondContact O-N 2.8Å; E1131-Y1134 WeakPolarHBondContact O-CB 3.38Å; E1131-Y1134 PolarHBondContact O-N 2.85Å; E1131-I1135 WeakPolarHBondContact O-CG1 3.46Å; E1131-I1135 PolarHBondContact O-N 3.11Å |
| 1132 | A | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1109 A1128 L1129 I1135 N1136 V1142 | W1109-A1132 HydrophobicContact CB-CB 3.74Å; A1128-A1132 PolarHBondContact O-N 2.81Å; L1129-A1132 PolarHBondContact O-N 3.05Å; A1132-I1135 PolarHBondContact O-N 2.96Å; A1132-N1136 PolarHBondContact O-N 2.96Å; A1132-V1142 HydrophobicContact CB-CG1 4.12Å; A1132-V1142 HydrophobicContact CB-CG2 3.81Å |
| 1133 | N | 89.3 | Confident | 89.5 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.9 | -37.2 | 176.7 | -173.4 | 30.6 | 0 | 0 | 0 | 111.6 | L1129 T1130 E1131 I1135 N1136 N1137 V1142 W1143 L1146 | L1129-N1133 VanDerWaalsContact O-CB 3.27Å; L1129-N1133 WeakPolarHBondContact O-CB 3.03Å; L1129-N1133 PolarHBondContact O-N 2.99Å; T1130-N1133 PolarHBondContact O-N 2.97Å; E1131-N1133 VanDerWaalsContact C-N 3.31Å; E1131-N1133 PolarHBondContact O-N 2.8Å; N1133-I1135 VanDerWaalsContact C-N 3.32Å; N1133-I1135 PolarHBondContact O-N 2.83Å; N1133-N1136 CarbonylContact O-C 3.59Å; N1133-N1137 WeakPolarHBondContact O-CA 3.06Å; N1133-N1137 WeakPolarHBondContact O-CB 3.27Å; N1133-N1137 PolarHBondContact O-N 3.35Å; N1133-N1137 VanDerWaalsContact O-N 3.08Å; N1133-N1137 VanDerWaalsContact OD1-CA 3.25Å; N1133-N1137 WeakPolarHBondContact OD1-CA 3.34Å; N1133-N1137 WeakPolarHBondContact OD1-CB 3.37Å; N1133-V1142 HydrophobicContact CB-CG1 3.73Å; N1133-W1143 VanDerWaalsContact OD1-CZ2 3.3Å; N1133-W1143 WeakPolarHBondContact OD1-CZ2 3.24Å; N1133-L1146 HydrophobicContact CB-CD1 4.26Å |
| 1134 | Y | 86.4 | Confident | 89.4 | Confident | 146 Ų | 146 | 45 Ų | 45 | 57% | 0.573 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.3 | -41 | 174.8 | 179.8 | -100.1 | 0 | 0 | 0 | 111.5 | T1130 E1131 | T1130-Y1134 WeakPolarHBondContact O-CB 3.26Å; T1130-Y1134 PolarHBondContact O-N 2.58Å; E1131-Y1134 WeakPolarHBondContact O-CB 3.38Å; E1131-Y1134 PolarHBondContact O-N 2.85Å |
| 1135 | I | 83.2 | Confident | 89.4 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.4 | -50.6 | 176.8 | -65.1 | 172.8 | 0 | 0 | 0 | 111.9 | Y642 C1106 E1131 A1132 N1133 | Y642-I1135 HydrophobicContact CE1-CG2 4.24Å; Y642-I1135 HydrophobicContact CE2-CG2 3.7Å; Y642-I1135 VanDerWaalsContact CZ-CG2 3.47Å; Y642-I1135 VanDerWaalsContact OH-CG2 3.26Å; Y642-I1135 WeakPolarHBondContact OH-CG2 3.4Å; C1106-I1135 HydrophobicContact CB-CB 4.48Å; C1106-I1135 HydrophobicContact CB-CG2 4.07Å; E1131-I1135 WeakPolarHBondContact O-CG1 3.46Å; E1131-I1135 PolarHBondContact O-N 3.11Å; A1132-I1135 PolarHBondContact O-N 2.96Å; N1133-I1135 VanDerWaalsContact C-N 3.32Å; N1133-I1135 PolarHBondContact O-N 2.83Å |
| 1136 | N | 80.6 | Confident | 89.3 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | trans | -138.4 | 93.9 | 179.7 | -178.9 | 4.3 | 0 | 0 | 0 | 111.2 | Y658 C1106 A1132 N1133 R1138 N1139 | Y658-N1136 PolarHBondContact OH-ND2 3.5Å; Y658-N1136 VanDerWaalsContact OH-ND2 3.1Å; C1106-N1136 HydrophobicContact CB-CB 3.82Å; A1132-N1136 PolarHBondContact O-N 2.96Å; N1133-N1136 CarbonylContact O-C 3.59Å; N1136-R1138 PolarHBondContact O-N 2.92Å; N1136-R1138 VanDerWaalsContact O-N 3.16Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.3Å; N1136-R1138 PolarHBondContact OD1-N 3.05Å; N1136-N1139 PolarHBondContact O-N 3.27Å; N1136-N1139 PolarHBondContact OD1-N 2.93Å | ||
| 1137 | N | 83.1 | Confident | 89.1 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2.4 | 177.8 | 67.4 | 16.7 | 0 | 0 | 0 | 115 | N1133 W1143 | N1133-N1137 WeakPolarHBondContact O-CA 3.06Å; N1133-N1137 WeakPolarHBondContact O-CB 3.27Å; N1133-N1137 PolarHBondContact O-N 3.35Å; N1133-N1137 VanDerWaalsContact O-N 3.08Å; N1133-N1137 VanDerWaalsContact OD1-CA 3.25Å; N1133-N1137 WeakPolarHBondContact OD1-CA 3.34Å; N1133-N1137 WeakPolarHBondContact OD1-CB 3.37Å; N1137-W1143 PolarHBondContact O-NE1 3.18Å |
| 1138 | R | 82.3 | Confident | 88.8 | Confident | 106 Ų | 106 | 34.2 Ų | 34.2 | 40% | 0.4 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.1 | 178.3 | -56.5 | -175.3 | 173.7 | 167 | -2.7 | 113.2 | W654 N1136 P1140 M1169 | W654-R1138 HydrophobicContact CH2-CB 3.24Å; W654-R1138 HydrophobicContact CH2-CG 4.06Å; W654-R1138 HydrophobicContact CZ2-CB 4.04Å; W654-R1138 HydrophobicContact CZ3-CB 3.96Å; N1136-R1138 PolarHBondContact O-N 2.92Å; N1136-R1138 VanDerWaalsContact O-N 3.16Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.3Å; N1136-R1138 PolarHBondContact OD1-N 3.05Å; R1138-P1140 WeakPolarHBondContact O-CD 3.36Å; R1138-M1169 HydrophobicContact CB-SD 4.05Å; R1138-M1169 HydrophobicContact CG-SD 4.35Å |
| 1139 | N | 84.4 | Confident | 88.7 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | trans | -74.4 | 116.2 | 174.6 | -173.1 | -24.7 | 0 | 0 | 0 | 109.8 | N1136 E1141 V1142 W1143 | N1136-N1139 PolarHBondContact O-N 3.27Å; N1136-N1139 PolarHBondContact OD1-N 2.93Å; N1139-E1141 VanDerWaalsContact C-N 3.3Å; N1139-E1141 PolarHBondContact O-N 3.45Å; N1139-E1141 WeakPolarHBondContact OD1-CB 3.36Å; N1139-E1141 PolarHBondContact OD1-N 3.49Å; N1139-V1142 HydrophobicContact CB-CB 4.4Å; N1139-V1142 HydrophobicContact CB-CG2 3.87Å; N1139-V1142 PolarHBondContact O-N 3.24Å; N1139-W1143 VanDerWaalsContact O-CD1 3.3Å | ||
| 1140 | P | 87 | Confident | 88.5 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 14% | 0.143 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -31.2 | -177.3 | 27 | -34.5 | 0 | 0 | 0 | 112.9 | R1138 V1142 W1143 A1144 M1169 L1171 | R1138-P1140 WeakPolarHBondContact O-CD 3.36Å; P1140-V1142 VanDerWaalsContact C-N 3.34Å; P1140-V1142 PolarHBondContact O-N 3.4Å; P1140-W1143 PolarHBondContact O-N 3.12Å; P1140-A1144 WeakPolarHBondContact O-CB 3.23Å; P1140-A1144 PolarHBondContact O-N 3.06Å; P1140-M1169 HydrophobicContact CB-CB 3.95Å; P1140-L1171 HydrophobicContact CB-CB 3.94Å; P1140-L1171 HydrophobicContact CB-CD1 3.92Å; P1140-L1171 HydrophobicContact CG-CD1 4.19Å |
| 1141 | E | 89.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 31.9 Ų | 31.9 | 26% | 0.262 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.3 | -38.1 | -179.7 | -65 | -177 | -159.9 | 0 | 0 | 111.6 | L1110 K1114 N1139 W1143 A1144 Y1145 L1171 | L1110-E1141 HydrophobicContact CD1-CB 4.28Å; L1110-E1141 HydrophobicContact CD2-CB 3.97Å; L1110-E1141 WeakPolarHBondContact CD2-OE2 3.47Å; K1114-E1141 WeakPolarHBondContact CE-OE2 3.39Å; K1114-E1141 IonicContact NZ-OE2 3.17Å; K1114-E1141 PolarHBondContact NZ-OE2 3.49Å; N1139-E1141 VanDerWaalsContact C-N 3.3Å; N1139-E1141 PolarHBondContact O-N 3.45Å; N1139-E1141 WeakPolarHBondContact OD1-CB 3.36Å; N1139-E1141 PolarHBondContact OD1-N 3.49Å; E1141-W1143 VanDerWaalsContact C-N 3.3Å; E1141-W1143 PolarHBondContact O-N 3.27Å; E1141-A1144 WeakPolarHBondContact O-CB 3.11Å; E1141-A1144 PolarHBondContact O-N 2.8Å; E1141-Y1145 VanDerWaalsContact O-CD2 3.3Å; E1141-Y1145 WeakPolarHBondContact O-CD2 3.21Å; E1141-Y1145 PolarHBondContact O-N 3.21Å; E1141-L1171 HydrophobicContact CG-CD1 4.02Å |
| 1142 | V | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L1110 L1129 A1132 N1133 N1139 P1140 Y1145 L1146 | L1110-V1142 HydrophobicContact CB-CG2 4.45Å; L1110-V1142 HydrophobicContact CD1-CG2 3.99Å; L1110-V1142 HydrophobicContact CD2-CG2 4.39Å; L1129-V1142 HydrophobicContact CD2-CG1 4.37Å; L1129-V1142 WeakPolarHBondContact O-CG1 3.47Å; A1132-V1142 HydrophobicContact CB-CG1 4.12Å; A1132-V1142 HydrophobicContact CB-CG2 3.81Å; N1133-V1142 HydrophobicContact CB-CG1 3.73Å; N1139-V1142 HydrophobicContact CB-CB 4.4Å; N1139-V1142 HydrophobicContact CB-CG2 3.87Å; N1139-V1142 PolarHBondContact O-N 3.24Å; P1140-V1142 VanDerWaalsContact C-N 3.34Å; P1140-V1142 PolarHBondContact O-N 3.4Å; V1142-Y1145 PolarHBondContact O-N 2.77Å; V1142-L1146 HydrophobicContact CG1-CD1 4.04Å; V1142-L1146 WeakPolarHBondContact O-CB 3.45Å; V1142-L1146 VanDerWaalsContact O-CG 3.3Å; V1142-L1146 WeakPolarHBondContact O-CG 3.49Å; V1142-L1146 PolarHBondContact O-N 3.22Å |
| 1143 | W | 92.5 | Very high | 88.1 | Confident | 34 Ų | 34 | 34 Ų | 34 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.4 | -71.2 | 110.1 | 0 | 0 | 0 | 113.2 | N1133 N1137 N1139 P1140 E1141 L1146 S1147 Y1165 C1166 | N1133-W1143 VanDerWaalsContact OD1-CZ2 3.3Å; N1133-W1143 WeakPolarHBondContact OD1-CZ2 3.24Å; N1137-W1143 PolarHBondContact O-NE1 3.18Å; N1139-W1143 VanDerWaalsContact O-CD1 3.3Å; P1140-W1143 PolarHBondContact O-N 3.12Å; E1141-W1143 VanDerWaalsContact C-N 3.3Å; E1141-W1143 PolarHBondContact O-N 3.27Å; W1143-L1146 HydrophobicContact CE3-CD1 4.3Å; W1143-S1147 WeakPolarHBondContact O-CB 3.4Å; W1143-S1147 PolarHBondContact O-N 3.19Å; W1143-Y1165 HydrophobicContact CD2-CG 4.48Å; W1143-Y1165 HydrophobicContact CH2-CD2 4.42Å; W1143-Y1165 HydrophobicContact CH2-CG 4.45Å; W1143-Y1165 HydrophobicContact CZ2-CG 4.35Å; W1143-Y1165 HydrophobicContact CZ3-CD2 4.4Å; W1143-C1166 HydrophobicContact CB-CB 3.9Å |
| 1144 | A | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -52.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1140 E1141 L1146 S1147 M1148 L1171 L1176 I1180 | P1140-A1144 WeakPolarHBondContact O-CB 3.23Å; P1140-A1144 PolarHBondContact O-N 3.06Å; E1141-A1144 WeakPolarHBondContact O-CB 3.11Å; E1141-A1144 PolarHBondContact O-N 2.8Å; A1144-L1146 PolarHBondContact O-N 3.42Å; A1144-S1147 WeakPolarHBondContact O-CB 3.34Å; A1144-S1147 PolarHBondContact O-N 2.84Å; A1144-M1148 WeakPolarHBondContact O-CG 3.42Å; A1144-M1148 PolarHBondContact O-N 3.01Å; A1144-L1171 HydrophobicContact CB-CD2 4.1Å; A1144-L1176 HydrophobicContact CB-CD2 3.45Å; A1144-L1176 VanDerWaalsContact CB-CD2 3.45Å; A1144-L1176 HydrophobicContact CB-CG 3.99Å; A1144-I1180 HydrophobicContact CB-CD1 3.85Å |
| 1145 | Y | 92.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 178.4 | -79 | -82.9 | 0 | 0 | 0 | 112.6 | L1110 K1114 Y1117 L1129 E1141 V1142 S1147 M1148 I1149 L1176 | L1110-Y1145 HydrophobicContact CD1-CD2 4.26Å; K1114-Y1145 HydrophobicContact CD-CE2 4.13Å; K1114-Y1145 HydrophobicContact CG-CD2 4.15Å; K1114-Y1145 HydrophobicContact CG-CE1 4.13Å; K1114-Y1145 HydrophobicContact CG-CE2 3.66Å; Y1117-Y1145 HydrophobicContact CD1-CD1 4.06Å; Y1117-Y1145 HydrophobicContact CD1-CE1 4.01Å; Y1117-Y1145 HydrophobicContact CG-CD1 4.05Å; Y1117-Y1145 HydrophobicContact CG-CE1 4.39Å; L1129-Y1145 VanDerWaalsContact CD1-CB 3.48Å; E1141-Y1145 VanDerWaalsContact O-CD2 3.3Å; E1141-Y1145 WeakPolarHBondContact O-CD2 3.21Å; E1141-Y1145 PolarHBondContact O-N 3.21Å; V1142-Y1145 PolarHBondContact O-N 2.77Å; Y1145-S1147 VanDerWaalsContact C-N 3.32Å; Y1145-S1147 PolarHBondContact O-N 3.06Å; Y1145-M1148 HydrophobicContact CD1-SD 4.48Å; Y1145-M1148 PolarHBondContact O-N 2.86Å; Y1145-I1149 WeakPolarHBondContact O-CG1 3.38Å; Y1145-I1149 PolarHBondContact O-N 2.95Å; Y1145-L1176 HydrophobicContact CD2-CD2 4.31Å; Y1145-L1176 HydrophobicContact CE1-CD1 4.35Å; Y1145-L1176 HydrophobicContact CE2-CD1 3.91Å; Y1145-L1176 HydrophobicContact CE2-CD2 3.86Å |
| 1146 | L | 92.3 | Very high | 87.6 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 172.1 | -75.4 | 172.9 | 0 | 0 | 0 | 111.8 | L1129 T1130 N1133 V1142 W1143 A1144 I1149 C1150 | L1129-L1146 HydrophobicContact CB-CD2 3.65Å; L1129-L1146 HydrophobicContact CB-CG 3.93Å; L1129-L1146 HydrophobicContact CD1-CD2 4.44Å; T1130-L1146 HydrophobicContact CG2-CD2 4.38Å; N1133-L1146 HydrophobicContact CB-CD1 4.26Å; V1142-L1146 HydrophobicContact CG1-CD1 4.04Å; V1142-L1146 WeakPolarHBondContact O-CB 3.45Å; V1142-L1146 VanDerWaalsContact O-CG 3.3Å; V1142-L1146 WeakPolarHBondContact O-CG 3.49Å; V1142-L1146 PolarHBondContact O-N 3.22Å; W1143-L1146 HydrophobicContact CE3-CD1 4.3Å; A1144-L1146 PolarHBondContact O-N 3.42Å; L1146-I1149 PolarHBondContact O-N 3.02Å; L1146-C1150 WeakPolarHBondContact O-CB 3.44Å; L1146-C1150 PolarHBondContact O-N 2.87Å; L1146-C1150 PolarHBondContact O-SG 3.45Å |
| 1147 | S | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 174.7 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | W1143 A1144 Y1145 I1149 C1150 L1151 A1159 | W1143-S1147 WeakPolarHBondContact O-CB 3.4Å; W1143-S1147 PolarHBondContact O-N 3.19Å; A1144-S1147 WeakPolarHBondContact O-CB 3.34Å; A1144-S1147 PolarHBondContact O-N 2.84Å; Y1145-S1147 VanDerWaalsContact C-N 3.32Å; Y1145-S1147 PolarHBondContact O-N 3.06Å; S1147-I1149 PolarHBondContact O-N 3.09Å; S1147-C1150 PolarHBondContact O-N 2.91Å; S1147-L1151 WeakPolarHBondContact O-CG 3.45Å; S1147-L1151 PolarHBondContact O-N 2.87Å; S1147-A1159 PolarHBondContact OG-O 2.81Å |
| 1148 | M | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 178.3 | -66.2 | 169.1 | 62.6 | 0 | 0 | 113 | Y1117 A1144 Y1145 L1151 K1152 L1176 E1179 I1180 L1183 | Y1117-M1148 HydrophobicContact CE1-CE 3.55Å; Y1117-M1148 HydrophobicContact CE2-CB 4.01Å; Y1117-M1148 WeakPolarHBondContact OH-CE 3.48Å; A1144-M1148 WeakPolarHBondContact O-CG 3.42Å; A1144-M1148 PolarHBondContact O-N 3.01Å; Y1145-M1148 HydrophobicContact CD1-SD 4.48Å; Y1145-M1148 PolarHBondContact O-N 2.86Å; M1148-L1151 PolarHBondContact O-N 2.93Å; M1148-K1152 PolarHBondContact O-N 2.72Å; M1148-L1176 HydrophobicContact CE-CD1 4.33Å; M1148-L1176 HydrophobicContact SD-CD1 3.53Å; M1148-L1176 VanDerWaalsContact SD-CD1 3.53Å; M1148-L1176 HydrophobicContact SD-CG 4.49Å; M1148-E1179 HydrophobicContact CE-CB 4.36Å; M1148-E1179 HydrophobicContact CE-CG 3.72Å; M1148-E1179 WeakPolarHBondContact CE-OE1 3.39Å; M1148-I1180 HydrophobicContact CG-CD1 4.42Å; M1148-I1180 HydrophobicContact CG-CG1 3.48Å; M1148-I1180 VanDerWaalsContact CG-CG1 3.48Å; M1148-I1180 HydrophobicContact SD-CD1 4.49Å; M1148-I1180 HydrophobicContact SD-CG1 3.75Å; M1148-L1183 HydrophobicContact CB-CD1 4.11Å; M1148-L1183 HydrophobicContact CE-CD1 3.81Å; M1148-L1183 HydrophobicContact CG-CD1 4.01Å |
| 1149 | I | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 173.9 | -70.2 | 171 | 0 | 0 | 0 | 110.7 | Y1117 A1125 E1126 L1129 Y1145 L1146 S1147 L1151 K1152 T1153 | Y1117-I1149 HydrophobicContact CD2-CD1 4.19Å; Y1117-I1149 HydrophobicContact CD2-CG1 3.51Å; Y1117-I1149 HydrophobicContact CE2-CG1 3.78Å; A1125-I1149 HydrophobicContact CB-CD1 3.71Å; E1126-I1149 HydrophobicContact CB-CD1 4.42Å; E1126-I1149 HydrophobicContact CB-CG2 4.23Å; L1129-I1149 HydrophobicContact CD1-CD1 3.4Å; Y1145-I1149 WeakPolarHBondContact O-CG1 3.38Å; Y1145-I1149 PolarHBondContact O-N 2.95Å; L1146-I1149 PolarHBondContact O-N 3.02Å; S1147-I1149 PolarHBondContact O-N 3.09Å; I1149-L1151 VanDerWaalsContact C-N 3.3Å; I1149-L1151 PolarHBondContact O-N 2.86Å; I1149-K1152 PolarHBondContact O-N 3.18Å; I1149-T1153 HydrophobicContact CG2-CG2 4.45Å; I1149-T1153 WeakPolarHBondContact O-CB 3.44Å; I1149-T1153 WeakPolarHBondContact O-CG2 3.32Å; I1149-T1153 PolarHBondContact O-N 3.3Å; I1149-T1153 PolarHBondContact O-OG1 2.91Å |
| 1150 | C | 89.7 | Confident | 87.8 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 177.1 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | L1146 S1147 T1153 N1154 R1155 E1158 A1159 | L1146-C1150 WeakPolarHBondContact O-CB 3.44Å; L1146-C1150 PolarHBondContact O-N 2.87Å; L1146-C1150 PolarHBondContact O-SG 3.45Å; S1147-C1150 PolarHBondContact O-N 2.91Å; C1150-T1153 WeakPolarHBondContact CA-OG1 3.07Å; C1150-T1153 PolarHBondContact O-N 2.95Å; C1150-T1153 PolarHBondContact O-OG1 2.79Å; C1150-N1154 PolarHBondContact O-N 2.98Å; C1150-N1154 VanDerWaalsContact O-N 3.16Å; C1150-R1155 HydrophobicContact CB-CB 4.3Å; C1150-R1155 PolarHBondContact O-N 2.95Å; C1150-E1158 HydrophobicContact CB-CB 4.42Å; C1150-A1159 HydrophobicContact CB-CB 3.56Å |
| 1151 | L | 87.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 173.5 | -73.1 | 169.5 | 0 | 0 | 0 | 111.6 | S1147 M1148 I1149 T1153 N1154 A1159 I1180 L1183 Q1184 W1189 | S1147-L1151 WeakPolarHBondContact O-CG 3.45Å; S1147-L1151 PolarHBondContact O-N 2.87Å; M1148-L1151 PolarHBondContact O-N 2.93Å; I1149-L1151 VanDerWaalsContact C-N 3.3Å; I1149-L1151 PolarHBondContact O-N 2.86Å; L1151-T1153 VanDerWaalsContact C-N 3.25Å; L1151-T1153 PolarHBondContact O-N 3.29Å; L1151-N1154 PolarHBondContact O-N 3.08Å; L1151-N1154 VanDerWaalsContact O-N 3.16Å; L1151-A1159 HydrophobicContact CD2-CB 4Å; L1151-A1159 HydrophobicContact CG-CB 3.98Å; L1151-I1180 HydrophobicContact CD1-CG2 4.32Å; L1151-L1183 HydrophobicContact CD1-CB 4.33Å; L1151-Q1184 HydrophobicContact CD1-CG 3.82Å; L1151-Q1184 HydrophobicContact CD2-CG 4.33Å; L1151-W1189 HydrophobicContact CD2-CD2 3.9Å; L1151-W1189 HydrophobicContact CD2-CE3 3.71Å; L1151-W1189 HydrophobicContact CD2-CG 4.43Å; L1151-W1189 HydrophobicContact CD2-CH2 3.61Å; L1151-W1189 HydrophobicContact CD2-CZ2 4.1Å; L1151-W1189 HydrophobicContact CD2-CZ3 3.57Å |
| 1152 | K | 87.5 | Confident | 87.6 | Confident | 81 Ų | 81 | 42.7 Ų | 42.7 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62 | -31.7 | 177.4 | -78.9 | -169.5 | 169.5 | 177.7 | 0 | 113.3 | Y1117 L1122 M1148 I1149 | Y1117-K1152 HydrophobicContact CE2-CD 3.96Å; Y1117-K1152 WeakPolarHBondContact OH-CD 3.3Å; Y1117-K1152 WeakPolarHBondContact OH-CE 3.42Å; Y1117-K1152 PolarHBondContact OH-NZ 3.4Å; L1122-K1152 HydrophobicContact CD1-CB 4.02Å; L1122-K1152 HydrophobicContact CD1-CD 4.4Å; L1122-K1152 HydrophobicContact CD2-CD 3.95Å; M1148-K1152 PolarHBondContact O-N 2.72Å; I1149-K1152 PolarHBondContact O-N 3.18Å |
| 1153 | T | 89.3 | Confident | 87.3 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 33% | 0.331 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.8 | 179.5 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | L1122 I1149 C1150 L1151 R1155 | L1122-T1153 HydrophobicContact CD1-CG2 4.23Å; I1149-T1153 HydrophobicContact CG2-CG2 4.45Å; I1149-T1153 WeakPolarHBondContact O-CB 3.44Å; I1149-T1153 WeakPolarHBondContact O-CG2 3.32Å; I1149-T1153 PolarHBondContact O-N 3.3Å; I1149-T1153 PolarHBondContact O-OG1 2.91Å; C1150-T1153 WeakPolarHBondContact CA-OG1 3.07Å; C1150-T1153 PolarHBondContact O-N 2.95Å; C1150-T1153 PolarHBondContact O-OG1 2.79Å; L1151-T1153 VanDerWaalsContact C-N 3.25Å; L1151-T1153 PolarHBondContact O-N 3.29Å; T1153-R1155 VanDerWaalsContact C-N 3.26Å; T1153-R1155 PolarHBondContact O-N 2.82Å; T1153-R1155 PolarHBondContact OG1-NE 3.18Å; T1153-R1155 PolarHBondContact OG1-NH2 2.83Å; T1153-R1155 VanDerWaalsContact OG1-NH2 3.08Å |
| 1154 | N | 84.6 | Confident | 86.9 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 27 | -178.2 | -68.9 | -54.4 | 0 | 0 | 0 | 115.2 | C1150 L1151 R1156 | C1150-N1154 PolarHBondContact O-N 2.98Å; C1150-N1154 VanDerWaalsContact O-N 3.16Å; L1151-N1154 PolarHBondContact O-N 3.08Å; L1151-N1154 VanDerWaalsContact O-N 3.16Å; N1154-R1156 PolarHBondContact O-N 2.97Å |
| 1155 | R | 86.7 | Confident | 86.6 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | trans | -88.9 | 95.5 | 176.4 | -75 | -178.5 | -69.8 | -176.7 | -4 | 111.3 | E1126 C1150 T1153 E1158 A1159 | E1126-R1155 VanDerWaalsContact CD-NH1 3.33Å; E1126-R1155 VanDerWaalsContact CD-NH2 3.29Å; E1126-R1155 IonicContact OE1-CZ 2.94Å; E1126-R1155 IonicContact OE1-NH1 2.72Å; E1126-R1155 PolarHBondContact OE1-NH1 2.79Å; E1126-R1155 IonicContact OE1-NH2 3.8Å; E1126-R1155 PolarHBondContact OE1-NH2 2.63Å; E1126-R1155 IonicContact OE2-CZ 2.72Å; E1126-R1155 IonicContact OE2-NH1 3.47Å; E1126-R1155 PolarHBondContact OE2-NH1 2.6Å; E1126-R1155 VanDerWaalsContact OE2-NH1 3.16Å; E1126-R1155 IonicContact OE2-NH2 3.44Å; E1126-R1155 PolarHBondContact OE2-NH2 3.03Å; C1150-R1155 HydrophobicContact CB-CB 4.3Å; C1150-R1155 PolarHBondContact O-N 2.95Å; T1153-R1155 VanDerWaalsContact C-N 3.26Å; T1153-R1155 PolarHBondContact O-N 2.82Å; T1153-R1155 PolarHBondContact OG1-NE 3.18Å; T1153-R1155 PolarHBondContact OG1-NH2 2.83Å; T1153-R1155 VanDerWaalsContact OG1-NH2 3.08Å; R1155-E1158 HydrophobicContact CB-CB 4.41Å; R1155-A1159 WeakPolarHBondContact O-CB 3.27Å; R1155-A1159 PolarHBondContact O-N 2.78Å | ||
| 1156 | R | 77 | Confident | 86.3 | Confident | 155 Ų | 155 | 50 Ų | 50 | 59% | 0.585 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.7 | -56.2 | -166.3 | -169.5 | 170.1 | 178 | 170.2 | 2.6 | 116.4 | N1154 E1158 A1159 E1160 W1189 | N1154-R1156 PolarHBondContact O-N 2.97Å; R1156-E1158 VanDerWaalsContact C-N 3.27Å; R1156-E1158 PolarHBondContact O-N 2.84Å; R1156-A1159 PolarHBondContact O-N 2.93Å; R1156-E1160 IonicContact NE-OE1 3.85Å; R1156-E1160 PolarHBondContact NE-OE1 2.64Å; R1156-E1160 IonicContact NH2-OE1 3.99Å; R1156-E1160 PolarHBondContact O-N 3.19Å; R1156-W1189 HydrophobicContact CB-CH2 3.74Å; R1156-W1189 HydrophobicContact CB-CZ2 3.74Å; R1156-W1189 HydrophobicContact CB-CZ3 4.23Å; R1156-W1189 HydrophobicContact CG-CD2 4.37Å; R1156-W1189 HydrophobicContact CG-CE3 4.05Å; R1156-W1189 HydrophobicContact CG-CH2 3.68Å; R1156-W1189 HydrophobicContact CG-CZ2 3.75Å; R1156-W1189 HydrophobicContact CG-CZ3 3.68Å; R1156-W1189 WeakPolarHBondContact O-CZ3 3.36Å |
| 1157 | T | 81.8 | Confident | 85.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.6 | -37.7 | -175.8 | 38 | 0 | 0 | 0 | 0 | 112.3 | Q1161 | T1157-Q1161 VanDerWaalsContact O-CG 3.25Å; T1157-Q1161 WeakPolarHBondContact O-CG 3.39Å; T1157-Q1161 PolarHBondContact O-N 2.88Å; T1157-Q1161 VanDerWaalsContact O-N 3.17Å |
| 1158 | E | 85.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.1 | -42.5 | -177.2 | -61.1 | 90.1 | 151.9 | 0 | 0 | 111.2 | C1150 R1155 R1156 E1160 Q1161 S1162 | C1150-E1158 HydrophobicContact CB-CB 4.42Å; R1155-E1158 HydrophobicContact CB-CB 4.41Å; R1156-E1158 VanDerWaalsContact C-N 3.27Å; R1156-E1158 PolarHBondContact O-N 2.84Å; E1158-E1160 PolarHBondContact O-N 2.94Å; E1158-Q1161 PolarHBondContact O-N 2.97Å; E1158-S1162 WeakPolarHBondContact O-CB 3.38Å; E1158-S1162 PolarHBondContact O-N 3.39Å; E1158-S1162 PolarHBondContact O-OG 2.85Å; E1158-S1162 VanDerWaalsContact O-OG 3.1Å |
| 1159 | A | 84.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1147 C1150 L1151 R1155 R1156 S1162 F1163 W1189 | S1147-A1159 PolarHBondContact OG-O 2.81Å; C1150-A1159 HydrophobicContact CB-CB 3.56Å; L1151-A1159 HydrophobicContact CD2-CB 4Å; L1151-A1159 HydrophobicContact CG-CB 3.98Å; R1155-A1159 WeakPolarHBondContact O-CB 3.27Å; R1155-A1159 PolarHBondContact O-N 2.78Å; R1156-A1159 PolarHBondContact O-N 2.93Å; A1159-S1162 PolarHBondContact O-N 2.84Å; A1159-F1163 VanDerWaalsContact O-CB 3.3Å; A1159-F1163 WeakPolarHBondContact O-CB 3.41Å; A1159-F1163 PolarHBondContact O-N 3.1Å; A1159-W1189 HydrophobicContact CB-CH2 3.56Å; A1159-W1189 HydrophobicContact CB-CZ3 3.51Å |
| 1160 | E | 83.1 | Confident | 84.9 | Confident | 51 Ų | 51 | 70 Ų | 70 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 176.6 | -71.1 | -179.8 | -168 | 0 | 0 | 111.8 | R1156 E1158 K1164 W1189 P1192 | R1156-E1160 IonicContact NE-OE1 3.85Å; R1156-E1160 PolarHBondContact NE-OE1 2.64Å; R1156-E1160 IonicContact NH2-OE1 3.99Å; R1156-E1160 PolarHBondContact O-N 3.19Å; E1158-E1160 PolarHBondContact O-N 2.94Å; E1160-K1164 WeakPolarHBondContact O-CB 3.43Å; E1160-K1164 WeakPolarHBondContact O-CD 3.31Å; E1160-K1164 WeakPolarHBondContact O-CG 3.35Å; E1160-K1164 PolarHBondContact O-N 2.77Å; E1160-W1189 HydrophobicContact CG-CE3 4.33Å; E1160-W1189 HydrophobicContact CG-CZ3 4.11Å; E1160-P1192 HydrophobicContact CG-CB 4.33Å; E1160-P1192 HydrophobicContact CG-CG 4.01Å |
| 1161 | Q | 85.5 | Confident | 84.4 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -51.3 | 175.4 | -73.7 | 173.8 | 6 | 0 | 0 | 111.3 | T1157 E1158 F1163 K1164 Y1165 | T1157-Q1161 VanDerWaalsContact O-CG 3.25Å; T1157-Q1161 WeakPolarHBondContact O-CG 3.39Å; T1157-Q1161 PolarHBondContact O-N 2.88Å; T1157-Q1161 VanDerWaalsContact O-N 3.17Å; E1158-Q1161 PolarHBondContact O-N 2.97Å; Q1161-F1163 VanDerWaalsContact C-N 3.28Å; Q1161-F1163 PolarHBondContact O-N 2.92Å; Q1161-K1164 WeakPolarHBondContact O-CB 3.38Å; Q1161-K1164 PolarHBondContact O-N 3.49Å; Q1161-K1164 VanDerWaalsContact O-N 3.11Å; Q1161-Y1165 VanDerWaalsContact O-CD2 3.24Å; Q1161-Y1165 WeakPolarHBondContact O-CD2 3.45Å; Q1161-Y1165 PolarHBondContact O-N 3.37Å |
| 1162 | S | 86.7 | Confident | 84 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | E1158 A1159 Y1165 C1166 | E1158-S1162 WeakPolarHBondContact O-CB 3.38Å; E1158-S1162 PolarHBondContact O-N 3.39Å; E1158-S1162 PolarHBondContact O-OG 2.85Å; E1158-S1162 VanDerWaalsContact O-OG 3.1Å; A1159-S1162 PolarHBondContact O-N 2.84Å; S1162-Y1165 PolarHBondContact O-N 2.85Å; S1162-C1166 WeakPolarHBondContact O-CB 3.46Å; S1162-C1166 PolarHBondContact O-N 3.05Å |
| 1163 | F | 85.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.5 | -170.7 | -116.1 | 0 | 0 | 0 | 112.6 | A1159 Q1161 Y1165 C1166 I1167 L1177 I1180 P1192 L1193 | A1159-F1163 VanDerWaalsContact O-CB 3.3Å; A1159-F1163 WeakPolarHBondContact O-CB 3.41Å; A1159-F1163 PolarHBondContact O-N 3.1Å; Q1161-F1163 VanDerWaalsContact C-N 3.28Å; Q1161-F1163 PolarHBondContact O-N 2.92Å; F1163-Y1165 VanDerWaalsContact C-N 3.29Å; F1163-Y1165 PolarHBondContact O-N 3.4Å; F1163-C1166 WeakPolarHBondContact O-CB 3.47Å; F1163-C1166 PolarHBondContact O-N 3.22Å; F1163-I1167 HydrophobicContact CE1-CG1 4.29Å; F1163-I1167 HydrophobicContact CE2-CD1 4.37Å; F1163-I1167 HydrophobicContact CE2-CG1 4.41Å; F1163-I1167 HydrophobicContact CZ-CD1 4.24Å; F1163-I1167 HydrophobicContact CZ-CG1 4.17Å; F1163-I1167 PolarHBondContact O-N 3.33Å; F1163-L1177 HydrophobicContact CE2-CD1 4.02Å; F1163-L1177 HydrophobicContact CZ-CD1 4.28Å; F1163-I1180 HydrophobicContact CD2-CG2 3.76Å; F1163-I1180 HydrophobicContact CE2-CB 4.48Å; F1163-I1180 HydrophobicContact CE2-CD1 4.43Å; F1163-I1180 HydrophobicContact CE2-CG2 3.63Å; F1163-P1192 HydrophobicContact CD1-CG 4.39Å; F1163-L1193 HydrophobicContact CD1-CD1 3.94Å; F1163-L1193 HydrophobicContact CD1-CG 4.49Å; F1163-L1193 HydrophobicContact CE1-CD1 3.71Å; F1163-L1193 HydrophobicContact CE1-CG 4.35Å |
| 1164 | K | 84.8 | Confident | 83.6 | Confident | 94 Ų | 94 | 78.5 Ų | 78.5 | 41% | 0.409 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 173.6 | -75.6 | 167.2 | -175.7 | 172.4 | 0 | 111.6 | E1160 Q1161 K1168 | E1160-K1164 WeakPolarHBondContact O-CB 3.43Å; E1160-K1164 WeakPolarHBondContact O-CD 3.31Å; E1160-K1164 WeakPolarHBondContact O-CG 3.35Å; E1160-K1164 PolarHBondContact O-N 2.77Å; Q1161-K1164 WeakPolarHBondContact O-CB 3.38Å; Q1161-K1164 PolarHBondContact O-N 3.49Å; Q1161-K1164 VanDerWaalsContact O-N 3.11Å; K1164-K1168 VanDerWaalsContact O-CB 3.28Å; K1164-K1168 WeakPolarHBondContact O-CB 3.33Å; K1164-K1168 PolarHBondContact O-N 3.01Å |
| 1165 | Y | 84.9 | Confident | 83.7 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 176 | -79.8 | -77.8 | 0 | 0 | 0 | 112.7 | W1143 Q1161 S1162 F1163 I1167 K1168 M1169 | W1143-Y1165 HydrophobicContact CD2-CG 4.48Å; W1143-Y1165 HydrophobicContact CH2-CD2 4.42Å; W1143-Y1165 HydrophobicContact CH2-CG 4.45Å; W1143-Y1165 HydrophobicContact CZ2-CG 4.35Å; W1143-Y1165 HydrophobicContact CZ3-CD2 4.4Å; Q1161-Y1165 VanDerWaalsContact O-CD2 3.24Å; Q1161-Y1165 WeakPolarHBondContact O-CD2 3.45Å; Q1161-Y1165 PolarHBondContact O-N 3.37Å; S1162-Y1165 PolarHBondContact O-N 2.85Å; F1163-Y1165 VanDerWaalsContact C-N 3.29Å; F1163-Y1165 PolarHBondContact O-N 3.4Å; Y1165-I1167 PolarHBondContact O-N 3.45Å; Y1165-K1168 HydrophobicContact CD1-CD 4.39Å; Y1165-K1168 PolarHBondContact O-N 3.49Å; Y1165-M1169 HydrophobicContact CD1-CE 4.42Å; Y1165-M1169 WeakPolarHBondContact O-CB 3.42Å; Y1165-M1169 VanDerWaalsContact O-CG 3.31Å; Y1165-M1169 WeakPolarHBondContact O-CG 3.38Å; Y1165-M1169 PolarHBondContact O-N 2.87Å |
| 1166 | C | 84.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.3 | -50.4 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | W1143 S1162 F1163 M1169 K1170 L1171 | W1143-C1166 HydrophobicContact CB-CB 3.9Å; S1162-C1166 WeakPolarHBondContact O-CB 3.46Å; S1162-C1166 PolarHBondContact O-N 3.05Å; F1163-C1166 WeakPolarHBondContact O-CB 3.47Å; F1163-C1166 PolarHBondContact O-N 3.22Å; C1166-M1169 PolarHBondContact O-N 3.43Å; C1166-K1170 PolarHBondContact O-N 2.63Å; C1166-L1171 PolarHBondContact O-N 3.16Å |
| 1167 | I | 84.3 | Confident | 84.1 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 177.5 | -61.4 | -55.4 | 0 | 0 | 0 | 111.7 | F1163 Y1165 M1169 K1170 L1177 L1193 | F1163-I1167 HydrophobicContact CE1-CG1 4.29Å; F1163-I1167 HydrophobicContact CE2-CD1 4.37Å; F1163-I1167 HydrophobicContact CE2-CG1 4.41Å; F1163-I1167 HydrophobicContact CZ-CD1 4.24Å; F1163-I1167 HydrophobicContact CZ-CG1 4.17Å; F1163-I1167 PolarHBondContact O-N 3.33Å; Y1165-I1167 PolarHBondContact O-N 3.45Å; I1167-M1169 VanDerWaalsContact C-N 3.27Å; I1167-M1169 PolarHBondContact O-N 2.95Å; I1167-K1170 PolarHBondContact O-N 3.27Å; I1167-L1177 HydrophobicContact CD1-CD1 4.13Å; I1167-L1193 HydrophobicContact CB-CD1 3.85Å; I1167-L1193 HydrophobicContact CG1-CD1 3.46Å; I1167-L1193 VanDerWaalsContact CG1-CD1 3.46Å; I1167-L1193 HydrophobicContact CG2-CD1 4.05Å |
| 1168 | K | 84.3 | Confident | 84.3 | Confident | 145 Ų | 145 | 72.4 Ų | 72.4 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.7 | -35.9 | 176.2 | -173.6 | 179.3 | 179.3 | 177.9 | 0 | 112.7 | K1164 Y1165 K1170 | K1164-K1168 VanDerWaalsContact O-CB 3.28Å; K1164-K1168 WeakPolarHBondContact O-CB 3.33Å; K1164-K1168 PolarHBondContact O-N 3.01Å; Y1165-K1168 HydrophobicContact CD1-CD 4.39Å; Y1165-K1168 PolarHBondContact O-N 3.49Å; K1168-K1170 VanDerWaalsContact C-N 3.25Å; K1168-K1170 PolarHBondContact O-N 3.34Å |
| 1169 | M | 83.5 | Confident | 84.4 | Confident | 55 Ų | 55 | 71 Ų | 71 | 27% | 0.271 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.1 | 177.2 | -63.2 | -55.4 | 136.7 | 0 | 0 | 113.5 | R1138 P1140 Y1165 C1166 I1167 | R1138-M1169 HydrophobicContact CB-SD 4.05Å; R1138-M1169 HydrophobicContact CG-SD 4.35Å; P1140-M1169 HydrophobicContact CB-CB 3.95Å; Y1165-M1169 HydrophobicContact CD1-CE 4.42Å; Y1165-M1169 WeakPolarHBondContact O-CB 3.42Å; Y1165-M1169 VanDerWaalsContact O-CG 3.31Å; Y1165-M1169 WeakPolarHBondContact O-CG 3.38Å; Y1165-M1169 PolarHBondContact O-N 2.87Å; C1166-M1169 PolarHBondContact O-N 3.43Å; I1167-M1169 VanDerWaalsContact C-N 3.27Å; I1167-M1169 PolarHBondContact O-N 2.95Å |
| 1170 | K | 81.7 | Confident | 84.5 | Confident | 163 Ų | 163 | 71 Ų | 71 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 69.8 | 176.9 | -57.3 | -176.5 | 177.5 | -174.5 | 0 | 113.2 | C1166 I1167 K1168 N1172 | C1166-K1170 PolarHBondContact O-N 2.63Å; I1167-K1170 PolarHBondContact O-N 3.27Å; K1168-K1170 VanDerWaalsContact C-N 3.25Å; K1168-K1170 PolarHBondContact O-N 3.34Å; K1170-N1172 PolarHBondContact O-N 3.3Å |
| 1171 | L | 80.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | trans | -62.6 | 122.7 | 168.2 | -174.6 | 70 | 0 | 0 | 0 | 110.5 | P1140 E1141 A1144 C1166 D1173 L1176 L1177 | P1140-L1171 HydrophobicContact CB-CB 3.94Å; P1140-L1171 HydrophobicContact CB-CD1 3.92Å; P1140-L1171 HydrophobicContact CG-CD1 4.19Å; E1141-L1171 HydrophobicContact CG-CD1 4.02Å; A1144-L1171 HydrophobicContact CB-CD2 4.1Å; C1166-L1171 PolarHBondContact O-N 3.16Å; L1171-D1173 HydrophobicContact CD1-CB 4.12Å; L1171-D1173 HydrophobicContact CG-CB 4.29Å; L1171-L1176 HydrophobicContact CD1-CD2 4.25Å; L1171-L1176 HydrophobicContact CD2-CB 4.41Å; L1171-L1176 HydrophobicContact CD2-CD2 4.18Å; L1171-L1176 HydrophobicContact CD2-CG 4.35Å; L1171-L1177 HydrophobicContact CD2-CB 4.46Å | ||
| 1172 | N | 78.4 | Confident | 84.5 | Confident | 146 Ų | 146 | 69.3 Ų | 69.3 | 78% | 0.781 | 34% | 0.341 | S | S | * | . | trans | -92.8 | -18.5 | 176.4 | -68.2 | -17 | 0 | 0 | 0 | 113.1 | K1170 T1174 | K1170-N1172 PolarHBondContact O-N 3.3Å; N1172-T1174 PolarHBondContact O-N 2.83Å; N1172-T1174 VanDerWaalsContact O-N 3.15Å | ||
| 1173 | D | 84.3 | Confident | 84.4 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | trans | -70.9 | 107.1 | -178.2 | -173.6 | -14.2 | 0 | 0 | 0 | 111.1 | L1171 E1175 L1176 L1177 | L1171-D1173 HydrophobicContact CD1-CB 4.12Å; L1171-D1173 HydrophobicContact CG-CB 4.29Å; D1173-E1175 PolarHBondContact OD1-N 2.79Å; D1173-L1176 HydrophobicContact CB-CB 4.01Å; D1173-L1176 PolarHBondContact OD1-N 3.02Å; D1173-L1176 VanDerWaalsContact OD1-N 3.1Å; D1173-L1176 WeakPolarHBondContact OD2-CB 3.38Å; D1173-L1177 WeakPolarHBondContact O-CB 3.5Å; D1173-L1177 PolarHBondContact O-N 3.34Å | ||
| 1174 | T | 84.1 | Confident | 84.3 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.7 | -31.2 | -178 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | N1172 L1177 N1178 | N1172-T1174 PolarHBondContact O-N 2.83Å; N1172-T1174 VanDerWaalsContact O-N 3.15Å; T1174-L1177 PolarHBondContact O-N 2.8Å; T1174-N1178 WeakPolarHBondContact O-CB 3.29Å; T1174-N1178 PolarHBondContact O-N 2.77Å; T1174-N1178 PolarHBondContact O-ND2 3.1Å |
| 1175 | E | 86.4 | Confident | 84.1 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 75% | 0.748 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.4 | -47.2 | 178.8 | -65.3 | -173.8 | 173 | 0 | 0 | 110.3 | D1173 L1177 N1178 E1179 | D1173-E1175 PolarHBondContact OD1-N 2.79Å; E1175-L1177 VanDerWaalsContact C-N 3.3Å; E1175-L1177 PolarHBondContact O-N 2.91Å; E1175-N1178 PolarHBondContact O-N 3.48Å; E1175-E1179 PolarHBondContact O-N 3.3Å |
| 1176 | L | 86.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 176.8 | -172 | 61.4 | 0 | 0 | 0 | 111.8 | A1144 Y1145 M1148 L1171 D1173 E1179 I1180 | A1144-L1176 HydrophobicContact CB-CD2 3.45Å; A1144-L1176 VanDerWaalsContact CB-CD2 3.45Å; A1144-L1176 HydrophobicContact CB-CG 3.99Å; Y1145-L1176 HydrophobicContact CD2-CD2 4.31Å; Y1145-L1176 HydrophobicContact CE1-CD1 4.35Å; Y1145-L1176 HydrophobicContact CE2-CD1 3.91Å; Y1145-L1176 HydrophobicContact CE2-CD2 3.86Å; M1148-L1176 HydrophobicContact CE-CD1 4.33Å; M1148-L1176 HydrophobicContact SD-CD1 3.53Å; M1148-L1176 VanDerWaalsContact SD-CD1 3.53Å; M1148-L1176 HydrophobicContact SD-CG 4.49Å; L1171-L1176 HydrophobicContact CD1-CD2 4.25Å; L1171-L1176 HydrophobicContact CD2-CB 4.41Å; L1171-L1176 HydrophobicContact CD2-CD2 4.18Å; L1171-L1176 HydrophobicContact CD2-CG 4.35Å; D1173-L1176 HydrophobicContact CB-CB 4.01Å; D1173-L1176 PolarHBondContact OD1-N 3.02Å; D1173-L1176 VanDerWaalsContact OD1-N 3.1Å; D1173-L1176 WeakPolarHBondContact OD2-CB 3.38Å; L1176-E1179 PolarHBondContact O-N 3.17Å; L1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; L1176-I1180 PolarHBondContact O-N 2.82Å |
| 1177 | L | 85 | Confident | 83.7 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.3 | -171.7 | 63.5 | 0 | 0 | 0 | 111.5 | F1163 I1167 L1171 D1173 T1174 E1175 E1179 I1180 H1181 | F1163-L1177 HydrophobicContact CE2-CD1 4.02Å; F1163-L1177 HydrophobicContact CZ-CD1 4.28Å; I1167-L1177 HydrophobicContact CD1-CD1 4.13Å; L1171-L1177 HydrophobicContact CD2-CB 4.46Å; D1173-L1177 WeakPolarHBondContact O-CB 3.5Å; D1173-L1177 PolarHBondContact O-N 3.34Å; T1174-L1177 PolarHBondContact O-N 2.8Å; E1175-L1177 VanDerWaalsContact C-N 3.3Å; E1175-L1177 PolarHBondContact O-N 2.91Å; L1177-E1179 VanDerWaalsContact C-N 3.31Å; L1177-E1179 PolarHBondContact O-N 2.69Å; L1177-I1180 PolarHBondContact O-N 3.35Å; L1177-H1181 PolarHBondContact O-N 3.21Å; L1177-H1181 PolarHBondContact O-ND1 2.78Å |
| 1178 | N | 86.1 | Confident | 83 | Confident | 94 Ų | 94 | 76.1 Ų | 76.1 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.7 | -73.1 | -24 | 0 | 0 | 0 | 112 | T1174 E1175 H1181 T1182 | T1174-N1178 WeakPolarHBondContact O-CB 3.29Å; T1174-N1178 PolarHBondContact O-N 2.77Å; T1174-N1178 PolarHBondContact O-ND2 3.1Å; E1175-N1178 PolarHBondContact O-N 3.48Å; N1178-H1181 PolarHBondContact O-N 3.19Å; N1178-T1182 WeakPolarHBondContact O-CB 3.27Å; N1178-T1182 PolarHBondContact O-N 2.8Å; N1178-T1182 PolarHBondContact O-OG1 2.53Å |
| 1179 | E | 87.5 | Confident | 82.1 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.6 | -165.2 | -178.8 | 169.5 | 0 | 0 | 111.6 | R1118 M1148 E1175 L1176 L1177 H1181 T1182 L1183 | R1118-E1179 IonicContact CZ-OE1 2.76Å; R1118-E1179 IonicContact CZ-OE2 3.58Å; R1118-E1179 IonicContact NH1-OE1 3.29Å; R1118-E1179 PolarHBondContact NH1-OE1 3.35Å; R1118-E1179 IonicContact NH1-OE2 2.67Å; R1118-E1179 PolarHBondContact NH1-OE2 3.29Å; R1118-E1179 IonicContact NH2-OE1 3.55Å; R1118-E1179 IonicContact NH2-OE2 3.6Å; R1118-E1179 PolarHBondContact NH2-OE2 3.28Å; M1148-E1179 HydrophobicContact CE-CB 4.36Å; M1148-E1179 HydrophobicContact CE-CG 3.72Å; M1148-E1179 WeakPolarHBondContact CE-OE1 3.39Å; E1175-E1179 PolarHBondContact O-N 3.3Å; L1176-E1179 PolarHBondContact O-N 3.17Å; L1177-E1179 VanDerWaalsContact C-N 3.31Å; L1177-E1179 PolarHBondContact O-N 2.69Å; E1179-H1181 VanDerWaalsContact C-N 3.34Å; E1179-H1181 PolarHBondContact O-N 2.81Å; E1179-T1182 PolarHBondContact O-N 2.96Å; E1179-L1183 HydrophobicContact CG-CD1 4.49Å; E1179-L1183 WeakPolarHBondContact O-CG 3.36Å; E1179-L1183 PolarHBondContact O-N 2.92Å |
| 1180 | I | 86.2 | Confident | 81 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 173.7 | -67 | 162.3 | 0 | 0 | 0 | 110.7 | A1144 M1148 L1151 F1163 L1176 L1177 T1182 L1183 Q1184 | A1144-I1180 HydrophobicContact CB-CD1 3.85Å; M1148-I1180 HydrophobicContact CG-CD1 4.42Å; M1148-I1180 HydrophobicContact CG-CG1 3.48Å; M1148-I1180 VanDerWaalsContact CG-CG1 3.48Å; M1148-I1180 HydrophobicContact SD-CD1 4.49Å; M1148-I1180 HydrophobicContact SD-CG1 3.75Å; L1151-I1180 HydrophobicContact CD1-CG2 4.32Å; F1163-I1180 HydrophobicContact CD2-CG2 3.76Å; F1163-I1180 HydrophobicContact CE2-CB 4.48Å; F1163-I1180 HydrophobicContact CE2-CD1 4.43Å; F1163-I1180 HydrophobicContact CE2-CG2 3.63Å; L1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; L1176-I1180 PolarHBondContact O-N 2.82Å; L1177-I1180 PolarHBondContact O-N 3.35Å; I1180-T1182 VanDerWaalsContact C-N 3.32Å; I1180-T1182 PolarHBondContact O-N 3.3Å; I1180-L1183 PolarHBondContact O-N 2.84Å; I1180-Q1184 HydrophobicContact CG2-CG 4.28Å; I1180-Q1184 WeakPolarHBondContact O-CB 3.14Å; I1180-Q1184 VanDerWaalsContact O-CG 3.26Å; I1180-Q1184 WeakPolarHBondContact O-CG 3.36Å; I1180-Q1184 PolarHBondContact O-N 2.68Å |
| 1181 | H | 84 | Confident | 80.1 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 179.2 | -73.6 | 100.5 | 0 | 0 | 0 | 112.3 | L1177 N1178 E1179 Q1184 M1185 N1191 | L1177-H1181 PolarHBondContact O-N 3.21Å; L1177-H1181 PolarHBondContact O-ND1 2.78Å; N1178-H1181 PolarHBondContact O-N 3.19Å; E1179-H1181 VanDerWaalsContact C-N 3.34Å; E1179-H1181 PolarHBondContact O-N 2.81Å; H1181-Q1184 WeakPolarHBondContact O-CB 3.43Å; H1181-Q1184 PolarHBondContact O-N 2.87Å; H1181-M1185 VanDerWaalsContact O-CG 3.27Å; H1181-M1185 WeakPolarHBondContact O-CG 3.35Å; H1181-M1185 PolarHBondContact O-N 3.25Å; H1181-N1191 PolarHBondContact NE2-ND2 2.99Å |
| 1182 | T | 86.1 | Confident | 79.1 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 176.1 | -56 | 0 | 0 | 0 | 0 | 110.4 | N1178 E1179 I1180 Q1184 M1185 E1186 | N1178-T1182 WeakPolarHBondContact O-CB 3.27Å; N1178-T1182 PolarHBondContact O-N 2.8Å; N1178-T1182 PolarHBondContact O-OG1 2.53Å; E1179-T1182 PolarHBondContact O-N 2.96Å; I1180-T1182 VanDerWaalsContact C-N 3.32Å; I1180-T1182 PolarHBondContact O-N 3.3Å; T1182-Q1184 VanDerWaalsContact C-N 3.34Å; T1182-Q1184 PolarHBondContact O-N 3.22Å; T1182-M1185 PolarHBondContact O-N 3.29Å; T1182-M1185 VanDerWaalsContact O-N 3.16Å; T1182-E1186 WeakPolarHBondContact O-CG 3.3Å; T1182-E1186 PolarHBondContact O-N 2.67Å |
| 1183 | L | 84.2 | Confident | 78.1 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.8 | -73.1 | 169 | 0 | 0 | 0 | 112.3 | M1148 L1151 E1179 I1180 M1185 E1186 V1187 | M1148-L1183 HydrophobicContact CB-CD1 4.11Å; M1148-L1183 HydrophobicContact CE-CD1 3.81Å; M1148-L1183 HydrophobicContact CG-CD1 4.01Å; L1151-L1183 HydrophobicContact CD1-CB 4.33Å; E1179-L1183 HydrophobicContact CG-CD1 4.49Å; E1179-L1183 WeakPolarHBondContact O-CG 3.36Å; E1179-L1183 PolarHBondContact O-N 2.92Å; I1180-L1183 PolarHBondContact O-N 2.84Å; L1183-M1185 VanDerWaalsContact C-N 3.33Å; L1183-M1185 PolarHBondContact O-N 2.69Å; L1183-E1186 PolarHBondContact O-N 3.46Å; L1183-V1187 VanDerWaalsContact O-CG2 3.3Å; L1183-V1187 WeakPolarHBondContact O-CG2 3.42Å; L1183-V1187 PolarHBondContact O-N 3.49Å |
| 1184 | Q | 83.3 | Confident | 76.8 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.023 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 173.1 | -79.9 | 175.9 | -3.6 | 0 | 0 | 110.5 | L1151 I1180 H1181 T1182 G1188 W1189 | L1151-Q1184 HydrophobicContact CD1-CG 3.82Å; L1151-Q1184 HydrophobicContact CD2-CG 4.33Å; I1180-Q1184 HydrophobicContact CG2-CG 4.28Å; I1180-Q1184 WeakPolarHBondContact O-CB 3.14Å; I1180-Q1184 VanDerWaalsContact O-CG 3.26Å; I1180-Q1184 WeakPolarHBondContact O-CG 3.36Å; I1180-Q1184 PolarHBondContact O-N 2.68Å; H1181-Q1184 WeakPolarHBondContact O-CB 3.43Å; H1181-Q1184 PolarHBondContact O-N 2.87Å; T1182-Q1184 VanDerWaalsContact C-N 3.34Å; T1182-Q1184 PolarHBondContact O-N 3.22Å; Q1184-G1188 PolarHBondContact O-N 3.37Å; Q1184-G1188 VanDerWaalsContact O-N 3.09Å; Q1184-W1189 CarbonylContact C-O 3.3Å; Q1184-W1189 VanDerWaalsContact C-O 3.3Å; Q1184-W1189 HydrophobicContact CB-CB 4.47Å; Q1184-W1189 WeakPolarHBondContact CB-O 3.44Å; Q1184-W1189 WeakPolarHBondContact O-CA 3.49Å; Q1184-W1189 PolarHBondContact O-N 3Å; Q1184-W1189 VanDerWaalsContact O-O 3.08Å |
| 1185 | M | 80.8 | Confident | 75.1 | Confident | 147 Ų | 147 | 64 Ų | 64 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 177.6 | -69.1 | -65.1 | -67.1 | 0 | 0 | 112.9 | H1181 T1182 L1183 G1188 | H1181-M1185 VanDerWaalsContact O-CG 3.27Å; H1181-M1185 WeakPolarHBondContact O-CG 3.35Å; H1181-M1185 PolarHBondContact O-N 3.25Å; T1182-M1185 PolarHBondContact O-N 3.29Å; T1182-M1185 VanDerWaalsContact O-N 3.16Å; L1183-M1185 VanDerWaalsContact C-N 3.33Å; L1183-M1185 PolarHBondContact O-N 2.69Å; M1185-G1188 PolarHBondContact O-N 3.11Å |
| 1186 | E | 81.2 | Confident | 73.1 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 67% | 0.673 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 178.6 | -75 | 178.3 | 177.6 | 0 | 0 | 113 | T1182 L1183 G1188 | T1182-E1186 WeakPolarHBondContact O-CG 3.3Å; T1182-E1186 PolarHBondContact O-N 2.67Å; L1183-E1186 PolarHBondContact O-N 3.46Å; E1186-G1188 PolarHBondContact O-N 2.76Å |
| 1187 | V | 79.9 | Confident | 71.2 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.3 | -10.8 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | L1183 W1189 | L1183-V1187 VanDerWaalsContact O-CG2 3.3Å; L1183-V1187 WeakPolarHBondContact O-CG2 3.42Å; L1183-V1187 PolarHBondContact O-N 3.49Å; V1187-W1189 VanDerWaalsContact CG1-NE1 3.28Å |
| 1188 | G | 70.4 | Confident | 69.2 | Low | 65 Ų | 65 | 69.2 Ų | 69.2 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 23.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1184 M1185 E1186 | Q1184-G1188 PolarHBondContact O-N 3.37Å; Q1184-G1188 VanDerWaalsContact O-N 3.09Å; M1185-G1188 PolarHBondContact O-N 3.11Å; E1186-G1188 PolarHBondContact O-N 2.76Å |
| 1189 | W | 64.3 | Low | 67 | Low | 27 Ų | 27 | 67.5 Ų | 67.5 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | trans | -96.4 | 111.9 | 177.5 | -67.7 | 41.9 | 0 | 0 | 0 | 108.4 | L1151 R1156 A1159 E1160 Q1184 V1187 | L1151-W1189 HydrophobicContact CD2-CD2 3.9Å; L1151-W1189 HydrophobicContact CD2-CE3 3.71Å; L1151-W1189 HydrophobicContact CD2-CG 4.43Å; L1151-W1189 HydrophobicContact CD2-CH2 3.61Å; L1151-W1189 HydrophobicContact CD2-CZ2 4.1Å; L1151-W1189 HydrophobicContact CD2-CZ3 3.57Å; R1156-W1189 HydrophobicContact CB-CH2 3.74Å; R1156-W1189 HydrophobicContact CB-CZ2 3.74Å; R1156-W1189 HydrophobicContact CB-CZ3 4.23Å; R1156-W1189 HydrophobicContact CG-CD2 4.37Å; R1156-W1189 HydrophobicContact CG-CE3 4.05Å; R1156-W1189 HydrophobicContact CG-CH2 3.68Å; R1156-W1189 HydrophobicContact CG-CZ2 3.75Å; R1156-W1189 HydrophobicContact CG-CZ3 3.68Å; R1156-W1189 WeakPolarHBondContact O-CZ3 3.36Å; A1159-W1189 HydrophobicContact CB-CH2 3.56Å; A1159-W1189 HydrophobicContact CB-CZ3 3.51Å; E1160-W1189 HydrophobicContact CG-CE3 4.33Å; E1160-W1189 HydrophobicContact CG-CZ3 4.11Å; Q1184-W1189 CarbonylContact C-O 3.3Å; Q1184-W1189 VanDerWaalsContact C-O 3.3Å; Q1184-W1189 HydrophobicContact CB-CB 4.47Å; Q1184-W1189 WeakPolarHBondContact CB-O 3.44Å; Q1184-W1189 WeakPolarHBondContact O-CA 3.49Å; Q1184-W1189 PolarHBondContact O-N 3Å; Q1184-W1189 VanDerWaalsContact O-O 3.08Å; V1187-W1189 VanDerWaalsContact CG1-NE1 3.28Å | ||
| 1190 | G | 61 | Low | 64.6 | Low | 57 Ų | 57 | 74.9 Ų | 74.9 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | trans | -58.8 | 158.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1192 | G1190-P1192 WeakPolarHBondContact O-CD 3.25Š| ||
| 1191 | N | 62.1 | Low | 62.3 | Low | 49 Ų | 49 | 83 Ų | 83 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | trans | -57.3 | 113.7 | 175.1 | 178.2 | -10.1 | 0 | 0 | 0 | 109.5 | H1181 L1193 A1194 | H1181-N1191 PolarHBondContact NE2-ND2 2.99Å; N1191-L1193 PolarHBondContact O-N 2.75Å; N1191-L1193 WeakPolarHBondContact OD1-CA 3.23Å; N1191-L1193 WeakPolarHBondContact OD1-CB 3.43Å; N1191-L1193 PolarHBondContact OD1-N 3.26Å; N1191-A1194 HydrophobicContact CB-CB 4.13Å; N1191-A1194 WeakPolarHBondContact O-CB 3.44Å; N1191-A1194 PolarHBondContact O-N 2.89Å; N1191-A1194 PolarHBondContact OD1-N 3.32Å | ||
| 1192 | P | 59 | Low | 59.8 | Low | 27 Ų | 27 | 91 Ų | 91 | 18% | 0.175 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.5 | -178.1 | -20.7 | 31.5 | 0 | 0 | 0 | 113 | E1160 F1163 G1190 | E1160-P1192 HydrophobicContact CG-CB 4.33Å; E1160-P1192 HydrophobicContact CG-CG 4.01Å; F1163-P1192 HydrophobicContact CD1-CG 4.39Å; G1190-P1192 WeakPolarHBondContact O-CD 3.25Å |
| 1193 | L | 57.6 | Low | 58.4 | Low | 24 Ų | 24 | 91.7 Ų | 91.7 | 13% | 0.126 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1 | 179.4 | -68.5 | 165.4 | 0 | 0 | 0 | 113.4 | F1163 I1167 N1191 Y1195 W1196 V1197 | F1163-L1193 HydrophobicContact CD1-CD1 3.94Å; F1163-L1193 HydrophobicContact CD1-CG 4.49Å; F1163-L1193 HydrophobicContact CE1-CD1 3.71Å; F1163-L1193 HydrophobicContact CE1-CG 4.35Å; I1167-L1193 HydrophobicContact CB-CD1 3.85Å; I1167-L1193 HydrophobicContact CG1-CD1 3.46Å; I1167-L1193 VanDerWaalsContact CG1-CD1 3.46Å; I1167-L1193 HydrophobicContact CG2-CD1 4.05Å; N1191-L1193 PolarHBondContact O-N 2.75Å; N1191-L1193 WeakPolarHBondContact OD1-CA 3.23Å; N1191-L1193 WeakPolarHBondContact OD1-CB 3.43Å; N1191-L1193 PolarHBondContact OD1-N 3.26Å; L1193-Y1195 PolarHBondContact O-N 3.48Å; L1193-Y1195 VanDerWaalsContact O-N 3.12Å; L1193-W1196 HydrophobicContact CB-CB 4.4Å; L1193-W1196 HydrophobicContact CD2-CB 3.83Å; L1193-W1196 HydrophobicContact CD2-CG 3.76Å; L1193-W1196 WeakPolarHBondContact O-CA 3.26Å; L1193-W1196 PolarHBondContact O-N 3.32Å; L1193-V1197 PolarHBondContact O-N 3.02Å |
| 1194 | A | 56.4 | Low | 57.1 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.1 | -30.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1191 W1196 T1198 | N1191-A1194 HydrophobicContact CB-CB 4.13Å; N1191-A1194 WeakPolarHBondContact O-CB 3.44Å; N1191-A1194 PolarHBondContact O-N 2.89Å; N1191-A1194 PolarHBondContact OD1-N 3.32Å; A1194-W1196 VanDerWaalsContact C-N 3.32Å; A1194-W1196 PolarHBondContact O-N 3.49Å; A1194-T1198 PolarHBondContact O-OG1 3.4Å |
| 1195 | Y | 49.8 | Very low | 55.6 | Low | 197 Ų | 197 | 100.6 Ų | 100.6 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.3 | -22.1 | 171.6 | -79.4 | -80 | 0 | 0 | 0 | 114.6 | L1193 T1198 | L1193-Y1195 PolarHBondContact O-N 3.48Å; L1193-Y1195 VanDerWaalsContact O-N 3.12Å; Y1195-T1198 PolarHBondContact O-OG1 2.84Å; Y1195-T1198 VanDerWaalsContact O-OG1 3.04Å |
| 1196 | W | 44.8 | Very low | 54.1 | Low | 146 Ų | 146 | 97.9 Ų | 97.9 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -98.6 | -31.8 | -176.1 | -73.9 | 77.8 | 0 | 0 | 0 | 113.9 | L1193 A1194 T1198 S1199 Y1200 | L1193-W1196 HydrophobicContact CB-CB 4.4Å; L1193-W1196 HydrophobicContact CD2-CB 3.83Å; L1193-W1196 HydrophobicContact CD2-CG 3.76Å; L1193-W1196 WeakPolarHBondContact O-CA 3.26Å; L1193-W1196 PolarHBondContact O-N 3.32Å; A1194-W1196 VanDerWaalsContact C-N 3.32Å; A1194-W1196 PolarHBondContact O-N 3.49Å; W1196-T1198 PolarHBondContact O-N 2.98Å; W1196-S1199 WeakPolarHBondContact CA-OG 3.12Å; W1196-S1199 CarbonylContact O-C 3.59Å; W1196-S1199 PolarHBondContact O-N 3.48Å; W1196-S1199 PolarHBondContact O-OG 3.07Å; W1196-Y1200 PolarHBondContact O-N 2.81Å |
| 1197 | V | 45.3 | Very low | 52.5 | Low | 78 Ų | 78 | 95 Ų | 95 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | L1193 S1199 Y1200 E1201 | L1193-V1197 PolarHBondContact O-N 3.02Å; V1197-S1199 PolarHBondContact O-N 2.79Å; V1197-Y1200 PolarHBondContact O-N 3Å; V1197-E1201 PolarHBondContact O-N 2.79Å |
| 1198 | T | 43.6 | Very low | 50.6 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -20.3 | 172.6 | 37.8 | 0 | 0 | 0 | 0 | 115 | A1194 Y1195 W1196 | A1194-T1198 PolarHBondContact O-OG1 3.4Å; Y1195-T1198 PolarHBondContact O-OG1 2.84Å; Y1195-T1198 VanDerWaalsContact O-OG1 3.04Å; W1196-T1198 PolarHBondContact O-N 2.98Å |
| 1199 | S | 40.5 | Very low | 49.2 | Very low | 59 Ų | 59 | 100.4 Ų | 100.4 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -103.4 | -10.2 | 178.4 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | W1196 V1197 | W1196-S1199 WeakPolarHBondContact CA-OG 3.12Å; W1196-S1199 CarbonylContact O-C 3.59Å; W1196-S1199 PolarHBondContact O-N 3.48Å; W1196-S1199 PolarHBondContact O-OG 3.07Å; V1197-S1199 PolarHBondContact O-N 2.79Å |
| 1200 | Y | 35.8 | Very low | 48.1 | Very low | 205 Ų | 205 | 106.1 Ų | 106.1 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -97.5 | -23.5 | 174.3 | -123.6 | -84.3 | 0 | 0 | 0 | 112.8 | W1196 V1197 Q1202 | W1196-Y1200 PolarHBondContact O-N 2.81Å; V1197-Y1200 PolarHBondContact O-N 3Å; Y1200-Q1202 VanDerWaalsContact C-N 3.3Å |
| 1201 | E | 37.7 | Very low | 47 | Very low | 172 Ų | 172 | 110.2 Ų | 110.2 | 80% | 0.804 | 54% | 0.535 | S | S | * | . | trans | -79.2 | -12.2 | 168.1 | -74.5 | -173.1 | 159.1 | 0 | 0 | 113.1 | V1197 | V1197-E1201 PolarHBondContact O-N 2.79Š| ||
| 1202 | Q | 31.1 | Very low | 45.6 | Very low | 220 Ų | 220 | 115.7 Ų | 115.7 | 100% | 1.028 | 56% | 0.559 | S | S | * | * | trans | -95.8 | 0 | 167.3 | -74.6 | -173.2 | -11.7 | 0 | 0 | 110.5 | Y1200 | Y1200-Q1202 VanDerWaalsContact C-N 3.3Š|
Retrieved 1,202 of 1,202 residues in 1309.5 ms
(Link to these results)