| 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 | 40 | Very low | 61.1 | Low | 229 Ų | 229 | 147.4 Ų | 147.4 | 100% | 1.128 | 71% | 0.705 | S | S | * | * | 0 | 91.6 | 0 | -79.6 | 167.8 | 171.1 | 0 | 0 | 107.6 | |||||
| 2 | S | 49.5 | Very low | 63.6 | Low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -129.2 | 50 | -165.9 | -46.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | Y | 45.9 | Very low | 65.8 | Low | 204 Ų | 204 | 139.9 Ų | 139.9 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | trans | -106.3 | 5 | -178 | -53.7 | -75.7 | 0 | 0 | 0 | 113.7 | ||||
| 4 | Y | 50.5 | Low | 67.8 | Low | 185 Ų | 185 | 138.9 Ų | 138.9 | 73% | 0.725 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -94 | -18.4 | -170.4 | -118 | -94.9 | 0 | 0 | 0 | 115.7 | S7 | Y4-S7 PolarHBondContact O-OG 2.76Š|
| 5 | R | 53.3 | Low | 69.4 | Low | 227 Ų | 227 | 138.2 Ų | 138.2 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.9 | -21.4 | -170.4 | -144.1 | 177.9 | -162.7 | -177.4 | 5.1 | 115 | ||
| 6 | G | 51.5 | Low | 70.9 | Confident | 54 Ų | 54 | 139.6 Ų | 139.6 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -89.5 | -27.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | S | 55.8 | Low | 72.1 | Confident | 65 Ų | 65 | 140.2 Ų | 140.2 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -80.3 | -34.5 | 179.3 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | Y4 S9 K10 R11 | Y4-S7 PolarHBondContact O-OG 2.76Å; S7-S9 PolarHBondContact O-N 2.94Å; S7-K10 PolarHBondContact O-N 3.26Å; S7-R11 WeakPolarHBondContact O-CB 3.47Å; S7-R11 PolarHBondContact O-N 2.89Å; S7-R11 VanDerWaalsContact O-N 3.1Å |
| 8 | E | 61 | Low | 73.2 | Confident | 114 Ų | 114 | 134.4 Ų | 134.4 | 53% | 0.533 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -56.9 | -39.3 | 170.7 | -78 | -179.9 | 160.7 | 0 | 0 | 111.5 | R11 E12 | E8-R11 PolarHBondContact O-N 2.96Å; E8-E12 WeakPolarHBondContact O-CB 3.25Å; E8-E12 PolarHBondContact O-N 3.01Å |
| 9 | S | 84.1 | Confident | 73.9 | Confident | 59 Ų | 59 | 132.2 Ų | 132.2 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.9 | -45.4 | -179.9 | -176.1 | 0 | 0 | 0 | 0 | 113 | S7 Q13 | S7-S9 PolarHBondContact O-N 2.94Å; S9-Q13 WeakPolarHBondContact O-CB 3.4Å; S9-Q13 WeakPolarHBondContact O-CG 3.37Å; S9-Q13 PolarHBondContact O-N 3.29Å; S9-Q13 PolarHBondContact OG-NE2 3.38Å |
| 10 | K | 90.3 | Very high | 74.5 | Confident | 162 Ų | 162 | 135.6 Ų | 135.6 | 70% | 0.704 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.5 | -41 | 177.3 | -74.2 | -176.9 | 178.4 | -178.8 | 0 | 112.2 | S7 Q13 F14 | S7-K10 PolarHBondContact O-N 3.26Å; K10-Q13 PolarHBondContact O-N 3.46Å; K10-F14 WeakPolarHBondContact O-CB 3.49Å; K10-F14 PolarHBondContact O-N 2.88Å |
| 11 | R | 90 | Very high | 74.9 | Confident | 206 Ų | 206 | 131.8 Ų | 131.8 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 177.3 | -176.6 | -179.8 | 176 | -179.8 | -0.8 | 111.4 | S7 E8 F14 R15 | S7-R11 WeakPolarHBondContact O-CB 3.47Å; S7-R11 PolarHBondContact O-N 2.89Å; S7-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 PolarHBondContact O-N 2.96Å; R11-F14 PolarHBondContact O-N 3.39Å; R11-R15 PolarHBondContact O-N 3.22Å |
| 12 | E | 91.6 | Very high | 77.1 | Confident | 79 Ų | 79 | 122 Ų | 122 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -41.9 | 178.7 | -179.3 | 58.4 | -159.9 | 0 | 0 | 111.7 | E8 F14 R15 R16 | E8-E12 WeakPolarHBondContact O-CB 3.25Å; E8-E12 PolarHBondContact O-N 3.01Å; E12-F14 VanDerWaalsContact C-N 3.31Å; E12-F14 PolarHBondContact O-N 3.31Å; E12-R15 PolarHBondContact O-N 2.84Å; E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.49Å; E12-R16 IonicContact OE1-CZ 3.79Å; E12-R16 IonicContact OE1-NE 3.58Å; E12-R16 PolarHBondContact OE1-NE 3.31Å; E12-R16 IonicContact OE1-NH2 3.14Å |
| 13 | Q | 92.1 | Very high | 78.9 | Confident | 119 Ų | 119 | 119.1 Ų | 119.1 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 172.5 | -75.7 | 169.5 | 20.5 | 0 | 0 | 111.8 | S9 K10 R16 Y17 | S9-Q13 WeakPolarHBondContact O-CB 3.4Å; S9-Q13 WeakPolarHBondContact O-CG 3.37Å; S9-Q13 PolarHBondContact O-N 3.29Å; S9-Q13 PolarHBondContact OG-NE2 3.38Å; K10-Q13 PolarHBondContact O-N 3.46Å; Q13-R16 PolarHBondContact O-N 2.95Å; Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 2.84Å |
| 14 | F | 93.1 | Very high | 80.9 | Confident | 126 Ų | 126 | 111.8 Ų | 111.8 | 55% | 0.553 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 177.1 | -172.3 | -113 | 0 | 0 | 0 | 112 | K10 R11 E12 Y17 L18 | K10-F14 WeakPolarHBondContact O-CB 3.49Å; K10-F14 PolarHBondContact O-N 2.88Å; R11-F14 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.31Å; E12-F14 PolarHBondContact O-N 3.31Å; F14-Y17 HydrophobicContact CD2-CD1 4.32Å; F14-Y17 HydrophobicContact CE2-CD1 4.29Å; F14-Y17 WeakPolarHBondContact O-CB 3.48Å; F14-Y17 PolarHBondContact O-N 3.46Å; F14-L18 HydrophobicContact CD1-CD1 4.03Å; F14-L18 HydrophobicContact CD1-CG 4.5Å; F14-L18 HydrophobicContact CE1-CD1 3.61Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CD2 4.5Å; F14-L18 HydrophobicContact CZ-CD1 4.03Å; F14-L18 HydrophobicContact CZ-CD2 4.17Å; F14-L18 HydrophobicContact CZ-CG 4.22Å; F14-L18 WeakPolarHBondContact O-CG 3.2Å; F14-L18 PolarHBondContact O-N 2.9Å |
| 15 | R | 92.7 | Very high | 82.6 | Confident | 128 Ų | 128 | 107.4 Ų | 107.4 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 173.6 | -178.1 | -165.6 | 153.3 | 99 | 9.6 | 111.1 | R11 E12 Y17 L18 E19 L24 | R11-R15 PolarHBondContact O-N 3.22Å; E12-R15 PolarHBondContact O-N 2.84Å; R15-Y17 VanDerWaalsContact C-N 3.26Å; R15-Y17 PolarHBondContact O-N 3.26Å; R15-L18 PolarHBondContact O-N 3.5Å; R15-L18 VanDerWaalsContact O-N 3.14Å; R15-E19 IonicContact NE-OE2 3.89Å; R15-E19 IonicContact NH2-OE1 3.67Å; R15-E19 IonicContact NH2-OE2 3.96Å; R15-E19 WeakPolarHBondContact O-CB 3.37Å; R15-E19 PolarHBondContact O-N 2.88Å; R15-L24 HydrophobicContact CG-CD1 4.47Å |
| 16 | R | 92.4 | Very high | 84.1 | Confident | 160 Ų | 160 | 98.1 Ų | 98.1 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -35.3 | 178.6 | -72 | -178.8 | -176.1 | -156.6 | -2.6 | 112.6 | E12 Q13 K20 | E12-R16 WeakPolarHBondContact O-CG 3.38Å; E12-R16 PolarHBondContact O-N 3.49Å; E12-R16 IonicContact OE1-CZ 3.79Å; E12-R16 IonicContact OE1-NE 3.58Å; E12-R16 PolarHBondContact OE1-NE 3.31Å; E12-R16 IonicContact OE1-NH2 3.14Å; Q13-R16 PolarHBondContact O-N 2.95Å; R16-K20 WeakPolarHBondContact O-CB 3.32Å; R16-K20 PolarHBondContact O-N 3.04Å |
| 17 | Y | 92.4 | Very high | 86 | Confident | 150 Ų | 150 | 98.8 Ų | 98.8 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.4 | -48.7 | 173.7 | 165.9 | -102 | 0 | 0 | 0 | 111.3 | Q13 F14 R15 E19 K20 A21 | Q13-Y17 WeakPolarHBondContact O-CB 3.39Å; Q13-Y17 PolarHBondContact O-N 2.84Å; F14-Y17 HydrophobicContact CD2-CD1 4.32Å; F14-Y17 HydrophobicContact CE2-CD1 4.29Å; F14-Y17 WeakPolarHBondContact O-CB 3.48Å; F14-Y17 PolarHBondContact O-N 3.46Å; R15-Y17 VanDerWaalsContact C-N 3.26Å; R15-Y17 PolarHBondContact O-N 3.26Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.34Å; Y17-K20 PolarHBondContact O-N 2.99Å; Y17-A21 WeakPolarHBondContact O-CB 3.24Å; Y17-A21 PolarHBondContact O-N 3.37Å |
| 18 | L | 91.9 | Very high | 87.6 | Confident | 37 Ų | 37 | 99.3 Ų | 99.3 | 19% | 0.194 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.9 | -66.2 | 178.9 | 0 | 0 | 0 | 112.6 | F14 R15 G22 V23 L24 | F14-L18 HydrophobicContact CD1-CD1 4.03Å; F14-L18 HydrophobicContact CD1-CG 4.5Å; F14-L18 HydrophobicContact CE1-CD1 3.61Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CD2 4.5Å; F14-L18 HydrophobicContact CZ-CD1 4.03Å; F14-L18 HydrophobicContact CZ-CD2 4.17Å; F14-L18 HydrophobicContact CZ-CG 4.22Å; F14-L18 WeakPolarHBondContact O-CG 3.2Å; F14-L18 PolarHBondContact O-N 2.9Å; R15-L18 PolarHBondContact O-N 3.5Å; R15-L18 VanDerWaalsContact O-N 3.14Å; L18-G22 PolarHBondContact O-N 3.49Å; L18-V23 HydrophobicContact CB-CB 4.27Å; L18-V23 HydrophobicContact CD2-CB 4.09Å; L18-V23 HydrophobicContact CD2-CG1 4.1Å; L18-V23 HydrophobicContact CD2-CG2 4.12Å; L18-V23 PolarHBondContact O-N 3.24Å; L18-L24 HydrophobicContact CB-CD2 4.22Å; L18-L24 HydrophobicContact CB-CG 4.02Å; L18-L24 HydrophobicContact CD1-CD2 4.45Å |
| 19 | E | 87.1 | Confident | 88.8 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -49.6 | 176 | -166.2 | 163 | -168.8 | 0 | 0 | 110.9 | R15 Y17 A21 G22 L24 | R15-E19 IonicContact NE-OE2 3.89Å; R15-E19 IonicContact NH2-OE1 3.67Å; R15-E19 IonicContact NH2-OE2 3.96Å; R15-E19 WeakPolarHBondContact O-CB 3.37Å; R15-E19 PolarHBondContact O-N 2.88Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.34Å; E19-A21 VanDerWaalsContact C-N 3.25Å; E19-A21 PolarHBondContact O-N 2.84Å; E19-G22 PolarHBondContact O-N 3.27Å; E19-L24 HydrophobicContact CB-CD1 3.9Å; E19-L24 HydrophobicContact CG-CD1 4.36Å |
| 20 | K | 84.1 | Confident | 89 | Confident | 199 Ų | 199 | 96.1 Ų | 96.1 | 87% | 0.865 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.8 | -32.1 | 176.7 | -174.1 | 178.5 | 179.1 | -176.4 | 0 | 112.8 | R16 Y17 G22 | R16-K20 WeakPolarHBondContact O-CB 3.32Å; R16-K20 PolarHBondContact O-N 3.04Å; Y17-K20 PolarHBondContact O-N 2.99Å; K20-G22 VanDerWaalsContact C-N 3.28Å |
| 21 | A | 84.4 | Confident | 89 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y17 E19 V23 | Y17-A21 WeakPolarHBondContact O-CB 3.24Å; Y17-A21 PolarHBondContact O-N 3.37Å; E19-A21 VanDerWaalsContact C-N 3.25Å; E19-A21 PolarHBondContact O-N 2.84Å; A21-V23 HydrophobicContact CB-CG2 4.14Å; A21-V23 PolarHBondContact O-N 2.94Å |
| 22 | G | 84.6 | Confident | 88.9 | Confident | 22 Ų | 22 | 86 Ų | 86 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 10.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | L18 E19 K20 D25 T26 | L18-G22 PolarHBondContact O-N 3.49Å; E19-G22 PolarHBondContact O-N 3.27Å; K20-G22 VanDerWaalsContact C-N 3.28Å; G22-D25 PolarHBondContact O-N 3.32Å; G22-T26 WeakPolarHBondContact O-CB 3.28Å; G22-T26 PolarHBondContact O-N 2.87Å; G22-T26 PolarHBondContact O-OG1 2.85Å |
| 23 | V | 88.2 | Confident | 88.7 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | -178.9 | 177 | 0 | 0 | 0 | 0 | 110.5 | L18 A21 T26 L27 | L18-V23 HydrophobicContact CB-CB 4.27Å; L18-V23 HydrophobicContact CD2-CB 4.09Å; L18-V23 HydrophobicContact CD2-CG1 4.1Å; L18-V23 HydrophobicContact CD2-CG2 4.12Å; L18-V23 PolarHBondContact O-N 3.24Å; A21-V23 HydrophobicContact CB-CG2 4.14Å; A21-V23 PolarHBondContact O-N 2.94Å; V23-T26 PolarHBondContact O-N 2.97Å; V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 HydrophobicContact CG1-CG 4.4Å; V23-L27 WeakPolarHBondContact O-CB 3.39Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.97Å |
| 24 | L | 88.3 | Confident | 88.6 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.6 | -62.6 | -176.9 | 0 | 0 | 0 | 111.7 | R15 L18 E19 L27 T28 | R15-L24 HydrophobicContact CG-CD1 4.47Å; L18-L24 HydrophobicContact CB-CD2 4.22Å; L18-L24 HydrophobicContact CB-CG 4.02Å; L18-L24 HydrophobicContact CD1-CD2 4.45Å; E19-L24 HydrophobicContact CB-CD1 3.9Å; E19-L24 HydrophobicContact CG-CD1 4.36Å; L24-L27 PolarHBondContact O-N 3.36Å; L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 PolarHBondContact O-N 3.39Å; L24-T28 PolarHBondContact O-OG1 3.49Å |
| 25 | D | 85 | Confident | 88.5 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.1 | -60 | -63.3 | 0 | 0 | 0 | 111.2 | G22 T28 N29 | G22-D25 PolarHBondContact O-N 3.32Å; D25-T28 WeakPolarHBondContact O-CB 3.45Å; D25-T28 PolarHBondContact O-N 3.16Å; D25-N29 VanDerWaalsContact O-CG 3.23Å; D25-N29 PolarHBondContact O-N 3.35Å; D25-N29 PolarHBondContact O-ND2 2.96Å |
| 26 | T | 86.8 | Confident | 88.3 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 20% | 0.202 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | G22 V23 T28 N29 V30 L52 A55 | G22-T26 WeakPolarHBondContact O-CB 3.28Å; G22-T26 PolarHBondContact O-N 2.87Å; G22-T26 PolarHBondContact O-OG1 2.85Å; V23-T26 PolarHBondContact O-N 2.97Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.46Å; T26-N29 PolarHBondContact O-N 3.36Å; T26-V30 WeakPolarHBondContact O-CG2 3.5Å; T26-V30 PolarHBondContact O-N 3.46Å; T26-V30 VanDerWaalsContact O-N 3.07Å; T26-L52 HydrophobicContact CG2-CD2 4.39Å; T26-A55 HydrophobicContact CG2-CB 4.03Å |
| 27 | L | 89.7 | Confident | 88.1 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.9 | -73.5 | 169.1 | 0 | 0 | 0 | 111.4 | V23 L24 L31 L52 | V23-L27 HydrophobicContact CG1-CD1 3.91Å; V23-L27 HydrophobicContact CG1-CG 4.4Å; V23-L27 WeakPolarHBondContact O-CB 3.39Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.97Å; L24-L27 PolarHBondContact O-N 3.36Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.43Å; L27-L31 VanDerWaalsContact O-N 3.1Å; L27-L52 HydrophobicContact CD2-CD1 4.21Å; L27-L52 HydrophobicContact CD2-CD2 3.87Å |
| 28 | T | 89.5 | Confident | 87.4 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 47% | 0.466 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L24 D25 T26 V30 L31 V32 | L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 PolarHBondContact O-N 3.39Å; L24-T28 PolarHBondContact O-OG1 3.49Å; D25-T28 WeakPolarHBondContact O-CB 3.45Å; D25-T28 PolarHBondContact O-N 3.16Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.46Å; T28-V30 PolarHBondContact O-N 3.44Å; T28-L31 PolarHBondContact O-N 3.06Å; T28-V32 HydrophobicContact CG2-CG2 4.45Å; T28-V32 WeakPolarHBondContact O-CG2 3.39Å; T28-V32 PolarHBondContact O-N 3.49Å |
| 29 | N | 86.8 | Confident | 87 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 179.2 | -69.3 | -18.3 | 0 | 0 | 0 | 112.5 | D25 T26 L31 V32 A33 | D25-N29 VanDerWaalsContact O-CG 3.23Å; D25-N29 PolarHBondContact O-N 3.35Å; D25-N29 PolarHBondContact O-ND2 2.96Å; T26-N29 PolarHBondContact O-N 3.36Å; N29-L31 VanDerWaalsContact C-N 3.33Å; N29-L31 PolarHBondContact O-N 2.9Å; N29-V32 PolarHBondContact O-N 3.44Å; N29-A33 PolarHBondContact O-N 2.89Å |
| 30 | V | 89.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.036 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | T26 T28 A33 L34 L48 H51 L52 A55 | T26-V30 WeakPolarHBondContact O-CG2 3.5Å; T26-V30 PolarHBondContact O-N 3.46Å; T26-V30 VanDerWaalsContact O-N 3.07Å; T28-V30 PolarHBondContact O-N 3.44Å; V30-A33 PolarHBondContact O-N 3.4Å; V30-L34 PolarHBondContact O-N 2.9Å; V30-L48 HydrophobicContact CG1-CD2 3.73Å; V30-L48 HydrophobicContact CG1-CG 4.41Å; V30-H51 HydrophobicContact CG1-CB 3.66Å; V30-H51 HydrophobicContact CG2-CB 4.08Å; V30-L52 HydrophobicContact CB-CD2 4.42Å; V30-L52 HydrophobicContact CG2-CD2 3.88Å; V30-L52 HydrophobicContact CG2-CG 4.34Å; V30-A55 HydrophobicContact CG2-CB 4.38Å |
| 31 | L | 89.6 | Confident | 87 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | 175.4 | -71.6 | 171.9 | 0 | 0 | 0 | 112.3 | L27 T28 N29 L34 Y35 L48 | L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.43Å; L27-L31 VanDerWaalsContact O-N 3.1Å; T28-L31 PolarHBondContact O-N 3.06Å; N29-L31 VanDerWaalsContact C-N 3.33Å; N29-L31 PolarHBondContact O-N 2.9Å; L31-L34 PolarHBondContact O-N 3.05Å; L31-Y35 WeakPolarHBondContact O-CB 3.31Å; L31-Y35 PolarHBondContact O-N 3.36Å; L31-L48 HydrophobicContact CD2-CD2 4.09Å |
| 32 | V | 88.3 | Confident | 86.9 | Confident | 62 Ų | 62 | 84 Ų | 84 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | T28 N29 L34 Y35 E36 | T28-V32 HydrophobicContact CG2-CG2 4.45Å; T28-V32 WeakPolarHBondContact O-CG2 3.39Å; T28-V32 PolarHBondContact O-N 3.49Å; N29-V32 PolarHBondContact O-N 3.44Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.46Å; V32-Y35 CarbonylContact O-C 3.53Å; V32-Y35 WeakPolarHBondContact O-CA 3.37Å; V32-Y35 WeakPolarHBondContact O-CB 3.31Å; V32-Y35 PolarHBondContact O-N 3Å; V32-E36 HydrophobicContact CG1-CG 4.22Å; V32-E36 WeakPolarHBondContact O-CG 3.4Å; V32-E36 PolarHBondContact O-N 3.46Å |
| 33 | A | 87.8 | Confident | 87.2 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 26% | 0.256 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N29 V30 Y35 E36 E37 F47 | N29-A33 PolarHBondContact O-N 2.89Å; V30-A33 PolarHBondContact O-N 3.4Å; A33-Y35 VanDerWaalsContact C-N 3.26Å; A33-Y35 PolarHBondContact O-N 3.16Å; A33-E36 PolarHBondContact O-N 3.47Å; A33-E37 PolarHBondContact O-N 3.01Å; A33-F47 HydrophobicContact CB-CZ 4.39Å |
| 34 | L | 89.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 174.6 | -179.3 | 62.2 | 0 | 0 | 0 | 112.4 | V30 L31 V32 K40 P41 A44 F47 L48 | V30-L34 PolarHBondContact O-N 2.9Å; L31-L34 PolarHBondContact O-N 3.05Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.46Å; L34-K40 PolarHBondContact O-NZ 2.83Å; L34-P41 HydrophobicContact CD1-CG 3.51Å; L34-A44 HydrophobicContact CD2-CB 4.02Å; L34-F47 HydrophobicContact CB-CD1 3.95Å; L34-F47 HydrophobicContact CB-CE1 3.68Å; L34-F47 HydrophobicContact CB-CZ 4.44Å; L34-F47 HydrophobicContact CD1-CB 4.37Å; L34-F47 HydrophobicContact CD1-CD1 3.74Å; L34-F47 HydrophobicContact CD1-CD2 4.46Å; L34-F47 HydrophobicContact CD1-CE1 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.94Å; L34-F47 HydrophobicContact CG-CD1 4.3Å; L34-F47 HydrophobicContact CG-CE1 4.46Å; L34-L48 HydrophobicContact CD2-CD1 4.41Å |
| 35 | Y | 89.5 | Confident | 87.1 | Confident | 191 Ų | 191 | 89 Ų | 89 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.7 | -36.7 | 177.3 | 175.9 | -98.9 | 0 | 0 | 0 | 112.7 | L31 V32 A33 E37 K40 | L31-Y35 WeakPolarHBondContact O-CB 3.31Å; L31-Y35 PolarHBondContact O-N 3.36Å; V32-Y35 CarbonylContact O-C 3.53Å; V32-Y35 WeakPolarHBondContact O-CA 3.37Å; V32-Y35 WeakPolarHBondContact O-CB 3.31Å; V32-Y35 PolarHBondContact O-N 3Å; A33-Y35 VanDerWaalsContact C-N 3.26Å; A33-Y35 PolarHBondContact O-N 3.16Å; Y35-E37 VanDerWaalsContact C-N 3.32Å; Y35-K40 PolarHBondContact O-NZ 3.04Å |
| 36 | E | 89.9 | Confident | 87.3 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -76.5 | -20 | 178.5 | -69 | 179 | 160 | 0 | 0 | 112.9 | V32 A33 T38 | V32-E36 HydrophobicContact CG1-CG 4.22Å; V32-E36 WeakPolarHBondContact O-CG 3.4Å; V32-E36 PolarHBondContact O-N 3.46Å; A33-E36 PolarHBondContact O-N 3.47Å; E36-T38 PolarHBondContact O-N 3.28Å; E36-T38 VanDerWaalsContact O-N 3.14Å |
| 37 | E | 87 | Confident | 87.4 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 38% | 0.383 | 46% | 0.461 | S | S | . | . | trans | -57.2 | 120 | -179.6 | -155.3 | 61.1 | -143.2 | 0 | 0 | 111.9 | A33 Y35 E39 K40 | A33-E37 PolarHBondContact O-N 3.01Å; Y35-E37 VanDerWaalsContact C-N 3.32Å; E37-E39 WeakPolarHBondContact CG-O 3.32Å; E37-K40 PolarHBondContact O-NZ 3.14Å | ||
| 38 | T | 77.2 | Confident | 87.3 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 85% | 0.847 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -68.1 | -38 | -175.7 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | E36 | E36-T38 PolarHBondContact O-N 3.28Å; E36-T38 VanDerWaalsContact O-N 3.14Å |
| 39 | E | 85.2 | Confident | 87.2 | Confident | 162 Ų | 162 | 89.5 Ų | 89.5 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -105.6 | 105.4 | 170.4 | -64.5 | -162.3 | 148.9 | 0 | 0 | 109.7 | E37 | E37-E39 WeakPolarHBondContact CG-O 3.32Š|
| 40 | K | 85.2 | Confident | 87.1 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | trans | -62.3 | 126.4 | -179 | -67.3 | -61.7 | 177.9 | -135.7 | 0 | 110.2 | L34 Y35 E37 N42 | L34-K40 PolarHBondContact O-NZ 2.83Å; Y35-K40 PolarHBondContact O-NZ 3.04Å; E37-K40 PolarHBondContact O-NZ 3.14Å; K40-N42 PolarHBondContact O-N 3.07Å | ||
| 41 | P | 84.6 | Confident | 86.8 | Confident | 42 Ų | 42 | 93.7 Ų | 93.7 | 27% | 0.273 | 47% | 0.474 | S | S | . | . | trans | -62.5 | 136.2 | 178.8 | 25.2 | -32.9 | 0 | 0 | 0 | 109.4 | L34 N43 F47 | L34-P41 HydrophobicContact CD1-CG 3.51Å; P41-N43 PolarHBondContact O-N 3.06Å; P41-F47 HydrophobicContact CB-CB 4.4Å; P41-F47 HydrophobicContact CG-CB 3.9Å; P41-F47 HydrophobicContact CG-CD2 4.04Å; P41-F47 HydrophobicContact CG-CG 4.12Å | ||
| 42 | N | 83.8 | Confident | 86.5 | Confident | 183 Ų | 183 | 92.4 Ų | 92.4 | 98% | 0.979 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -56.9 | -25.9 | 176.6 | -69.3 | -38.4 | 0 | 0 | 0 | 112.4 | K40 | K40-N42 PolarHBondContact O-N 3.07Š|
| 43 | N | 89.6 | Confident | 85.7 | Confident | 74 Ų | 74 | 92 Ų | 92 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | trans | -126 | 93.8 | 172.5 | -167.7 | -7.9 | 0 | 0 | 0 | 111.8 | P41 L45 D46 F47 | P41-N43 PolarHBondContact O-N 3.06Å; N43-L45 PolarHBondContact O-N 3.29Å; N43-L45 WeakPolarHBondContact OD1-CB 3.37Å; N43-L45 PolarHBondContact OD1-N 2.95Å; N43-L45 VanDerWaalsContact OD1-N 3.15Å; N43-D46 HydrophobicContact CB-CB 4.27Å; N43-D46 PolarHBondContact ND2-OD2 2.83Å; N43-D46 PolarHBondContact O-N 2.97Å; N43-F47 PolarHBondContact O-N 3.31Å | ||
| 44 | A | 87.7 | Confident | 84.6 | Confident | 42 Ų | 42 | 93.4 Ų | 93.4 | 35% | 0.347 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -32.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L34 D46 F47 L48 | L34-A44 HydrophobicContact CD2-CB 4.02Å; A44-D46 VanDerWaalsContact C-N 3.35Å; A44-D46 PolarHBondContact O-N 2.95Å; A44-F47 WeakPolarHBondContact O-CB 3.42Å; A44-F47 PolarHBondContact O-N 3.4Å; A44-L48 WeakPolarHBondContact O-CD1 3.5Å; A44-L48 PolarHBondContact O-N 2.99Å |
| 45 | L | 87.8 | Confident | 83.1 | Confident | 116 Ų | 116 | 93.1 Ų | 93.1 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.7 | -36.1 | 179.7 | -74.5 | 172.9 | 0 | 0 | 0 | 112.1 | N43 L48 K49 | N43-L45 PolarHBondContact O-N 3.29Å; N43-L45 WeakPolarHBondContact OD1-CB 3.37Å; N43-L45 PolarHBondContact OD1-N 2.95Å; N43-L45 VanDerWaalsContact OD1-N 3.15Å; L45-L48 PolarHBondContact O-N 2.93Å; L45-K49 WeakPolarHBondContact O-CG 3.18Å; L45-K49 PolarHBondContact O-N 2.9Å |
| 46 | D | 88.6 | Confident | 81.6 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.1 | -36.1 | 177.5 | -72.3 | -14.7 | 0 | 0 | 0 | 111.3 | N43 A44 L48 K49 H50 | N43-D46 HydrophobicContact CB-CB 4.27Å; N43-D46 PolarHBondContact ND2-OD2 2.83Å; N43-D46 PolarHBondContact O-N 2.97Å; A44-D46 VanDerWaalsContact C-N 3.35Å; A44-D46 PolarHBondContact O-N 2.95Å; D46-L48 VanDerWaalsContact C-N 3.35Å; D46-L48 PolarHBondContact O-N 3.33Å; D46-K49 PolarHBondContact O-N 3.29Å; D46-K49 IonicContact OD1-NZ 3Å; D46-K49 PolarHBondContact OD1-NZ 2.68Å; D46-K49 VanDerWaalsContact OD1-NZ 3.14Å; D46-H50 WeakPolarHBondContact O-CB 3.17Å; D46-H50 PolarHBondContact O-N 2.82Å |
| 47 | F | 88.9 | Confident | 80 | Confident | 29 Ų | 29 | 84.1 Ų | 84.1 | 13% | 0.127 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 170.4 | -178.6 | -83.5 | 0 | 0 | 0 | 111.6 | A33 L34 P41 N43 A44 H50 H51 | A33-F47 HydrophobicContact CB-CZ 4.39Å; L34-F47 HydrophobicContact CB-CD1 3.95Å; L34-F47 HydrophobicContact CB-CE1 3.68Å; L34-F47 HydrophobicContact CB-CZ 4.44Å; L34-F47 HydrophobicContact CD1-CB 4.37Å; L34-F47 HydrophobicContact CD1-CD1 3.74Å; L34-F47 HydrophobicContact CD1-CD2 4.46Å; L34-F47 HydrophobicContact CD1-CE1 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.94Å; L34-F47 HydrophobicContact CG-CD1 4.3Å; L34-F47 HydrophobicContact CG-CE1 4.46Å; P41-F47 HydrophobicContact CB-CB 4.4Å; P41-F47 HydrophobicContact CG-CB 3.9Å; P41-F47 HydrophobicContact CG-CD2 4.04Å; P41-F47 HydrophobicContact CG-CG 4.12Å; N43-F47 PolarHBondContact O-N 3.31Å; A44-F47 WeakPolarHBondContact O-CB 3.42Å; A44-F47 PolarHBondContact O-N 3.4Å; F47-H50 PolarHBondContact O-N 3.28Å; F47-H51 AromaticContact CD1-ND1 3.75Å; F47-H51 AromaticContact CD2-CE1 3.68Å; F47-H51 AromaticContact CD2-ND1 3.81Å; F47-H51 HydrophobicContact CE1-CB 4.5Å; F47-H51 AromaticContact CE1-CE1 3.83Å; F47-H51 AromaticContact CE1-CG 3.86Å; F47-H51 AromaticContact CE1-ND1 3.6Å; F47-H51 AromaticContact CE2-CE1 3.21Å; F47-H51 WeakPolarHBondContact CE2-CE1 3.4Å; F47-H51 AromaticContact CE2-ND1 3.69Å; F47-H51 AromaticContact CE2-NE2 3.88Å; F47-H51 AromaticContact CG-ND1 3.85Å; F47-H51 AromaticContact CZ-CE1 3.29Å; F47-H51 WeakPolarHBondContact CZ-CE1 3.36Å; F47-H51 AromaticContact CZ-ND1 3.57Å; F47-H51 AromaticContact CZ-NE2 3.61Å; F47-H51 WeakPolarHBondContact O-CB 3.25Å; F47-H51 PolarHBondContact O-N 2.95Å; F47-H51 PolarHBondContact O-ND1 3.45Å |
| 48 | L | 88.1 | Confident | 78.6 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 177.1 | -84.5 | 150 | 0 | 0 | 0 | 111.8 | V30 L31 L34 A44 L45 D46 H50 H51 L52 | V30-L48 HydrophobicContact CG1-CD2 3.73Å; V30-L48 HydrophobicContact CG1-CG 4.41Å; L31-L48 HydrophobicContact CD2-CD2 4.09Å; L34-L48 HydrophobicContact CD2-CD1 4.41Å; A44-L48 WeakPolarHBondContact O-CD1 3.5Å; A44-L48 PolarHBondContact O-N 2.99Å; L45-L48 PolarHBondContact O-N 2.93Å; D46-L48 VanDerWaalsContact C-N 3.35Å; D46-L48 PolarHBondContact O-N 3.33Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.35Å; L48-H51 PolarHBondContact O-N 3.42Å; L48-L52 VanDerWaalsContact O-CB 3.25Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CD1 2.94Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 2.91Å |
| 49 | K | 86.8 | Confident | 77.8 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 178.8 | -72.8 | 169.7 | -168.7 | 162.4 | 0 | 112.1 | L45 D46 G53 | L45-K49 WeakPolarHBondContact O-CG 3.18Å; L45-K49 PolarHBondContact O-N 2.9Å; D46-K49 PolarHBondContact O-N 3.29Å; D46-K49 IonicContact OD1-NZ 3Å; D46-K49 PolarHBondContact OD1-NZ 2.68Å; D46-K49 VanDerWaalsContact OD1-NZ 3.14Å; K49-G53 PolarHBondContact O-N 3Å; K49-G53 VanDerWaalsContact O-N 3.09Å |
| 50 | H | 85.1 | Confident | 76.8 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.2 | -51.2 | 179.3 | -175.3 | -84.1 | 0 | 0 | 0 | 110.9 | D46 F47 L48 L52 G53 V54 | D46-H50 WeakPolarHBondContact O-CB 3.17Å; D46-H50 PolarHBondContact O-N 2.82Å; F47-H50 PolarHBondContact O-N 3.28Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H50 PolarHBondContact O-N 3.35Å; H50-L52 PolarHBondContact O-N 3.46Å; H50-G53 PolarHBondContact O-N 3.49Å; H50-V54 WeakPolarHBondContact O-CG2 3.33Å; H50-V54 PolarHBondContact O-N 3.44Å; H50-V54 VanDerWaalsContact O-N 3.12Å |
| 51 | H | 82.9 | Confident | 75.9 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 31% | 0.31 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | -177.6 | -78.5 | 76.1 | 0 | 0 | 0 | 112.9 | V30 F47 L48 V54 A55 | V30-H51 HydrophobicContact CG1-CB 3.66Å; V30-H51 HydrophobicContact CG2-CB 4.08Å; F47-H51 AromaticContact CD1-ND1 3.75Å; F47-H51 AromaticContact CD2-CE1 3.68Å; F47-H51 AromaticContact CD2-ND1 3.81Å; F47-H51 HydrophobicContact CE1-CB 4.5Å; F47-H51 AromaticContact CE1-CE1 3.83Å; F47-H51 AromaticContact CE1-CG 3.86Å; F47-H51 AromaticContact CE1-ND1 3.6Å; F47-H51 AromaticContact CE2-CE1 3.21Å; F47-H51 WeakPolarHBondContact CE2-CE1 3.4Å; F47-H51 AromaticContact CE2-ND1 3.69Å; F47-H51 AromaticContact CE2-NE2 3.88Å; F47-H51 AromaticContact CG-ND1 3.85Å; F47-H51 AromaticContact CZ-CE1 3.29Å; F47-H51 WeakPolarHBondContact CZ-CE1 3.36Å; F47-H51 AromaticContact CZ-ND1 3.57Å; F47-H51 AromaticContact CZ-NE2 3.61Å; F47-H51 WeakPolarHBondContact O-CB 3.25Å; F47-H51 PolarHBondContact O-N 2.95Å; F47-H51 PolarHBondContact O-ND1 3.45Å; L48-H51 PolarHBondContact O-N 3.42Å; H51-V54 PolarHBondContact O-N 2.75Å; H51-A55 WeakPolarHBondContact O-CB 3.5Å; H51-A55 PolarHBondContact O-N 2.99Å |
| 52 | L | 82.8 | Confident | 75.3 | Confident | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.6 | -32 | 173.6 | -69.6 | 168.4 | 0 | 0 | 0 | 112.6 | T26 L27 V30 L48 H50 V54 | T26-L52 HydrophobicContact CG2-CD2 4.39Å; L27-L52 HydrophobicContact CD2-CD1 4.21Å; L27-L52 HydrophobicContact CD2-CD2 3.87Å; V30-L52 HydrophobicContact CB-CD2 4.42Å; V30-L52 HydrophobicContact CG2-CD2 3.88Å; V30-L52 HydrophobicContact CG2-CG 4.34Å; L48-L52 VanDerWaalsContact O-CB 3.25Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 WeakPolarHBondContact O-CD1 2.94Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 2.91Å; H50-L52 PolarHBondContact O-N 3.46Å; L52-V54 VanDerWaalsContact C-N 3.33Å |
| 53 | G | 72.3 | Confident | 74.9 | Confident | 55 Ų | 55 | 72.9 Ų | 72.9 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.4 | -31.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K49 H50 | K49-G53 PolarHBondContact O-N 3Å; K49-G53 VanDerWaalsContact O-N 3.09Å; H50-G53 PolarHBondContact O-N 3.49Å |
| 54 | V | 63.4 | Low | 74.4 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -90.6 | -40.8 | -178.8 | 178.4 | 0 | 0 | 0 | 0 | 112 | H50 H51 L52 G56 V57 E58 | H50-V54 WeakPolarHBondContact O-CG2 3.33Å; H50-V54 PolarHBondContact O-N 3.44Å; H50-V54 VanDerWaalsContact O-N 3.12Å; H51-V54 PolarHBondContact O-N 2.75Å; L52-V54 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 3.47Å; V54-G56 VanDerWaalsContact O-N 3.15Å; V54-V57 PolarHBondContact O-N 3.37Å; V54-E58 VanDerWaalsContact CG1-OE2 3.24Å; V54-E58 WeakPolarHBondContact CG1-OE2 3.37Å; V54-E58 PolarHBondContact O-N 3.07Å |
| 55 | A | 59.7 | Low | 74.2 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 17% | 0.165 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.2 | -23.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T26 V30 H51 V57 T59 | T26-A55 HydrophobicContact CG2-CB 4.03Å; V30-A55 HydrophobicContact CG2-CB 4.38Å; H51-A55 WeakPolarHBondContact O-CB 3.5Å; H51-A55 PolarHBondContact O-N 2.99Å; A55-V57 VanDerWaalsContact C-N 3.31Å; A55-T59 WeakPolarHBondContact O-CG2 3.29Å; A55-T59 PolarHBondContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 3.04Å |
| 56 | G | 56.8 | Low | 74 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.5 | -24.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | V54 | V54-G56 PolarHBondContact O-N 3.47Å; V54-G56 VanDerWaalsContact O-N 3.15Å |
| 57 | V | 56.2 | Low | 74 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -90.5 | -44.3 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | V54 A55 T59 D61 | V54-V57 PolarHBondContact O-N 3.37Å; A55-V57 VanDerWaalsContact C-N 3.31Å; V57-T59 PolarHBondContact O-N 3.04Å; V57-D61 WeakPolarHBondContact O-CB 3.38Å; V57-D61 PolarHBondContact O-N 3.49Å |
| 58 | E | 58.2 | Low | 74 | Confident | 128 Ų | 128 | 81.2 Ų | 81.2 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.1 | -36 | -176.3 | -84.5 | -179.9 | 86.9 | 0 | 0 | 114.1 | V54 A62 | V54-E58 VanDerWaalsContact CG1-OE2 3.24Å; V54-E58 WeakPolarHBondContact CG1-OE2 3.37Å; V54-E58 PolarHBondContact O-N 3.07Å; E58-A62 WeakPolarHBondContact O-CA 3.43Å; E58-A62 WeakPolarHBondContact O-CB 3.24Å; E58-A62 PolarHBondContact O-N 3.38Å |
| 59 | T | 61 | Low | 74.2 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.8 | -48.7 | -172.5 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | A55 V57 A62 E63 | A55-T59 WeakPolarHBondContact O-CG2 3.29Å; A55-T59 PolarHBondContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 3.04Å; V57-T59 PolarHBondContact O-N 3.04Å; T59-A62 PolarHBondContact O-N 3.15Å; T59-E63 WeakPolarHBondContact O-CG 3.37Å; T59-E63 PolarHBondContact O-N 3.37Å |
| 60 | A | 62.4 | Low | 74.5 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T64 | A60-T64 WeakPolarHBondContact O-CB 3.21Å; A60-T64 PolarHBondContact O-N 2.79Å; A60-T64 VanDerWaalsContact O-N 3.07Å; A60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | D | 67.6 | Low | 74.9 | Confident | 92 Ų | 92 | 80.7 Ų | 80.7 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 177.6 | -72.3 | -18.2 | 0 | 0 | 0 | 111 | V57 E63 T64 L65 | V57-D61 WeakPolarHBondContact O-CB 3.38Å; V57-D61 PolarHBondContact O-N 3.49Å; D61-E63 PolarHBondContact O-N 2.89Å; D61-T64 PolarHBondContact O-N 3.3Å; D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.43Å; D61-L65 WeakPolarHBondContact O-CD1 3.29Å; D61-L65 WeakPolarHBondContact O-CG 3.39Å; D61-L65 PolarHBondContact O-N 2.87Å |
| 62 | A | 71.2 | Confident | 75.5 | Confident | 39 Ų | 39 | 83 Ų | 83 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E58 T59 R66 | E58-A62 WeakPolarHBondContact O-CA 3.43Å; E58-A62 WeakPolarHBondContact O-CB 3.24Å; E58-A62 PolarHBondContact O-N 3.38Å; T59-A62 PolarHBondContact O-N 3.15Å; A62-R66 VanDerWaalsContact O-CB 3.29Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 3.46Å; A62-R66 PolarHBondContact O-NE 3.21Å; A62-R66 VanDerWaalsContact O-NE 3.07Å |
| 63 | E | 75.1 | Confident | 76 | Confident | 116 Ų | 116 | 85.4 Ų | 85.4 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 172.9 | -75.2 | -175.2 | 133.4 | 0 | 0 | 111.9 | T59 D61 L65 R66 L67 | T59-E63 WeakPolarHBondContact O-CG 3.37Å; T59-E63 PolarHBondContact O-N 3.37Å; D61-E63 PolarHBondContact O-N 2.89Å; E63-L65 PolarHBondContact O-N 3.38Å; E63-R66 PolarHBondContact O-N 2.72Å; E63-L67 PolarHBondContact O-N 3.43Å |
| 64 | T | 78.7 | Confident | 77.2 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A60 D61 L67 G68 | A60-T64 WeakPolarHBondContact O-CB 3.21Å; A60-T64 PolarHBondContact O-N 2.79Å; A60-T64 VanDerWaalsContact O-N 3.07Å; A60-T64 PolarHBondContact O-OG1 3.31Å; D61-T64 PolarHBondContact O-N 3.3Å; T64-L67 PolarHBondContact O-N 2.94Å; T64-G68 PolarHBondContact O-N 3.4Å |
| 65 | L | 83.6 | Confident | 78.7 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 176.1 | -74.1 | 168.8 | 0 | 0 | 0 | 111.8 | D61 E63 G68 V69 | D61-L65 VanDerWaalsContact O-CB 3.25Å; D61-L65 WeakPolarHBondContact O-CB 3.43Å; D61-L65 WeakPolarHBondContact O-CD1 3.29Å; D61-L65 WeakPolarHBondContact O-CG 3.39Å; D61-L65 PolarHBondContact O-N 2.87Å; E63-L65 PolarHBondContact O-N 3.38Å; L65-G68 PolarHBondContact O-N 3.21Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.48Å |
| 66 | R | 84.8 | Confident | 80.3 | Confident | 159 Ų | 159 | 94.9 Ų | 94.9 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 176.3 | -80.6 | 179.9 | -69.8 | -173.2 | 2 | 112.3 | A62 E63 V69 S70 | A62-R66 VanDerWaalsContact O-CB 3.29Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.48Å; A62-R66 PolarHBondContact O-N 3.46Å; A62-R66 PolarHBondContact O-NE 3.21Å; A62-R66 VanDerWaalsContact O-NE 3.07Å; E63-R66 PolarHBondContact O-N 2.72Å; R66-V69 PolarHBondContact O-N 3.04Å; R66-S70 PolarHBondContact O-N 2.84Å |
| 67 | L | 88.5 | Confident | 82.2 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -47.9 | 173.8 | -81.3 | 161.7 | 0 | 0 | 0 | 111.2 | E63 T64 V69 S70 E71 | E63-L67 PolarHBondContact O-N 3.43Å; T64-L67 PolarHBondContact O-N 2.94Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.07Å; L67-S70 PolarHBondContact O-N 2.79Å; L67-S70 VanDerWaalsContact O-N 3.16Å; L67-E71 PolarHBondContact O-N 3.5Å |
| 68 | G | 89.3 | Confident | 84.1 | Confident | 28 Ų | 28 | 98.1 Ų | 98.1 | 29% | 0.289 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T64 L65 E71 L72 | T64-G68 PolarHBondContact O-N 3.4Å; L65-G68 PolarHBondContact O-N 3.21Å; G68-E71 PolarHBondContact O-N 3.1Å; G68-L72 WeakPolarHBondContact O-CB 3.47Å; G68-L72 VanDerWaalsContact O-CG 3.32Å; G68-L72 WeakPolarHBondContact O-CG 3.44Å; G68-L72 PolarHBondContact O-N 3.03Å |
| 69 | V | 92.1 | Very high | 85.8 | Confident | 88 Ų | 88 | 97 Ų | 97 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.1 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L65 R66 L67 E71 L72 Q73 | L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.48Å; R66-V69 PolarHBondContact O-N 3.04Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.07Å; V69-E71 PolarHBondContact O-N 2.97Å; V69-L72 PolarHBondContact O-N 3.39Å; V69-Q73 WeakPolarHBondContact O-CB 3.25Å; V69-Q73 PolarHBondContact O-N 3.25Å |
| 70 | S | 92.2 | Very high | 87.4 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 53% | 0.531 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.9 | -171 | 0 | 0 | 0 | 0 | 112.5 | R66 L67 Q73 Q74 | R66-S70 PolarHBondContact O-N 2.84Å; L67-S70 PolarHBondContact O-N 2.79Å; L67-S70 VanDerWaalsContact O-N 3.16Å; S70-Q73 PolarHBondContact O-N 3.3Å; S70-Q74 PolarHBondContact O-N 3.15Å |
| 71 | E | 94.8 | Very high | 89 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 177.8 | -74 | -175 | 177.9 | 0 | 0 | 112.2 | L67 G68 V69 Q74 K75 | L67-E71 PolarHBondContact O-N 3.5Å; G68-E71 PolarHBondContact O-N 3.1Å; V69-E71 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 3.34Å; E71-K75 PolarHBondContact O-N 3.48Å |
| 72 | L | 93.8 | Very high | 90.2 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 176.7 | -75.9 | 171.9 | 0 | 0 | 0 | 111.5 | G68 V69 Q74 K75 C76 | G68-L72 WeakPolarHBondContact O-CB 3.47Å; G68-L72 VanDerWaalsContact O-CG 3.32Å; G68-L72 WeakPolarHBondContact O-CG 3.44Å; G68-L72 PolarHBondContact O-N 3.03Å; V69-L72 PolarHBondContact O-N 3.39Å; L72-Q74 PolarHBondContact O-N 3.47Å; L72-K75 PolarHBondContact O-N 3.38Å; L72-C76 PolarHBondContact O-N 2.95Å |
| 73 | Q | 95.3 | Very high | 91.3 | Very high | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 175.9 | -155.2 | 90.5 | 20 | 0 | 0 | 110.7 | V69 S70 K75 C76 D77 | V69-Q73 WeakPolarHBondContact O-CB 3.25Å; V69-Q73 PolarHBondContact O-N 3.25Å; S70-Q73 PolarHBondContact O-N 3.3Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.3Å; Q73-C76 WeakPolarHBondContact O-CB 3.03Å; Q73-C76 PolarHBondContact O-N 3.03Å; Q73-C76 VanDerWaalsContact O-N 3.16Å; Q73-D77 PolarHBondContact O-N 3.43Å |
| 74 | Q | 95.5 | Very high | 92.2 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 178.2 | -172.4 | -178.7 | 5.8 | 0 | 0 | 112.1 | S70 E71 L72 D77 L78 | S70-Q74 PolarHBondContact O-N 3.15Å; E71-Q74 PolarHBondContact O-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.47Å; Q74-D77 PolarHBondContact O-N 3.42Å; Q74-L78 HydrophobicContact CG-CD1 4.41Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.45Å; Q74-L78 PolarHBondContact O-N 3.43Å |
| 75 | K | 95.1 | Very high | 92.9 | Very high | 137 Ų | 137 | 105.3 Ų | 105.3 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 174.6 | -92.4 | 179.3 | 176.9 | 168.4 | 0 | 112.2 | E71 L72 Q73 D77 L78 L79 | E71-K75 PolarHBondContact O-N 3.48Å; L72-K75 PolarHBondContact O-N 3.38Å; Q73-K75 VanDerWaalsContact C-N 3.33Å; Q73-K75 PolarHBondContact O-N 3.3Å; K75-D77 VanDerWaalsContact C-N 3.34Å; K75-L78 PolarHBondContact O-N 3.43Å; K75-L79 WeakPolarHBondContact O-CB 3.5Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.29Å; K75-L79 PolarHBondContact O-N 3.19Å |
| 76 | C | 94.6 | Very high | 93.3 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 49% | 0.493 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 176.5 | -83.6 | 0 | 0 | 0 | 0 | 111.4 | L72 Q73 L78 L79 M80 | L72-C76 PolarHBondContact O-N 2.95Å; Q73-C76 WeakPolarHBondContact O-CB 3.03Å; Q73-C76 PolarHBondContact O-N 3.03Å; Q73-C76 VanDerWaalsContact O-N 3.16Å; C76-L78 PolarHBondContact O-N 2.74Å; C76-L79 PolarHBondContact O-N 2.86Å; C76-M80 WeakPolarHBondContact O-CB 3.45Å; C76-M80 WeakPolarHBondContact O-CG 3.48Å; C76-M80 PolarHBondContact O-N 3.09Å |
| 77 | D | 95.6 | Very high | 93.5 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 179.4 | -67.1 | -20 | 0 | 0 | 0 | 111.7 | Q73 Q74 K75 M80 E81 | Q73-D77 PolarHBondContact O-N 3.43Å; Q74-D77 PolarHBondContact O-N 3.42Å; K75-D77 VanDerWaalsContact C-N 3.34Å; D77-M80 PolarHBondContact O-N 2.8Å; D77-E81 PolarHBondContact O-N 3.48Å |
| 78 | L | 96 | Very high | 93.6 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 176.2 | -72.3 | 172.1 | 0 | 0 | 0 | 112.1 | Q74 K75 C76 M80 E81 E82 | Q74-L78 HydrophobicContact CG-CD1 4.41Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.45Å; Q74-L78 PolarHBondContact O-N 3.43Å; K75-L78 PolarHBondContact O-N 3.43Å; C76-L78 PolarHBondContact O-N 2.74Å; L78-M80 VanDerWaalsContact C-N 3.31Å; L78-M80 PolarHBondContact O-N 3.02Å; L78-E81 PolarHBondContact O-N 3.04Å; L78-E82 WeakPolarHBondContact O-CB 3.16Å; L78-E82 PolarHBondContact O-N 3.25Å |
| 79 | L | 95 | Very high | 93.5 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178.7 | -73.9 | 171.3 | 0 | 0 | 0 | 111.7 | K75 C76 N83 | K75-L79 WeakPolarHBondContact O-CB 3.5Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.29Å; K75-L79 PolarHBondContact O-N 3.19Å; C76-L79 PolarHBondContact O-N 2.86Å; L79-N83 VanDerWaalsContact O-CB 3.3Å; L79-N83 WeakPolarHBondContact O-CB 3.4Å; L79-N83 PolarHBondContact O-N 3.29Å |
| 80 | M | 94.5 | Very high | 93.2 | Very high | 133 Ų | 133 | 111.5 Ų | 111.5 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 175.8 | -82.7 | -176.6 | 55.2 | 0 | 0 | 111.9 | C76 D77 L78 N83 K84 | C76-M80 WeakPolarHBondContact O-CB 3.45Å; C76-M80 WeakPolarHBondContact O-CG 3.48Å; C76-M80 PolarHBondContact O-N 3.09Å; D77-M80 PolarHBondContact O-N 2.8Å; L78-M80 VanDerWaalsContact C-N 3.31Å; L78-M80 PolarHBondContact O-N 3.02Å; M80-N83 PolarHBondContact O-N 3.12Å; M80-K84 WeakPolarHBondContact O-CB 3.36Å; M80-K84 PolarHBondContact O-N 3.48Å |
| 81 | E | 95.3 | Very high | 92.7 | Very high | 96 Ų | 96 | 113.6 Ų | 113.6 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 178.5 | -160.5 | 62.5 | -156.6 | 0 | 0 | 111.3 | D77 L78 K84 E85 | D77-E81 PolarHBondContact O-N 3.48Å; L78-E81 PolarHBondContact O-N 3.04Å; E81-K84 WeakPolarHBondContact O-CB 3.41Å; E81-K84 PolarHBondContact O-N 2.9Å; E81-K84 IonicContact OE1-NZ 2.84Å; E81-K84 PolarHBondContact OE1-NZ 3.14Å; E81-K84 IonicContact OE2-NZ 3.31Å; E81-K84 PolarHBondContact OE2-NZ 2.88Å; E81-E85 PolarHBondContact O-N 3.44Å |
| 82 | E | 94.2 | Very high | 91.8 | Very high | 114 Ų | 114 | 114.4 Ų | 114.4 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 173 | -173.8 | 176.8 | -162.5 | 0 | 0 | 111.6 | L78 K84 E85 L86 | L78-E82 WeakPolarHBondContact O-CB 3.16Å; L78-E82 PolarHBondContact O-N 3.25Å; E82-K84 VanDerWaalsContact C-N 3.28Å; E82-K84 PolarHBondContact O-N 2.94Å; E82-E85 PolarHBondContact O-N 3.4Å; E82-L86 HydrophobicContact CG-CD1 3.95Å; E82-L86 HydrophobicContact CG-CG 4.29Å; E82-L86 WeakPolarHBondContact O-CB 3.33Å; E82-L86 VanDerWaalsContact O-CG 3.28Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 2.85Å |
| 83 | N | 93.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 118.2 Ų | 118.2 | 43% | 0.433 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -40.3 | 178.1 | -146.5 | -81.5 | 0 | 0 | 0 | 111.4 | L79 M80 L86 R87 | L79-N83 VanDerWaalsContact O-CB 3.3Å; L79-N83 WeakPolarHBondContact O-CB 3.4Å; L79-N83 PolarHBondContact O-N 3.29Å; M80-N83 PolarHBondContact O-N 3.12Å; N83-L86 PolarHBondContact O-N 3.45Å; N83-R87 WeakPolarHBondContact O-CB 3.11Å; N83-R87 WeakPolarHBondContact O-CG 3.47Å; N83-R87 PolarHBondContact O-N 2.92Å; N83-R87 PolarHBondContact OD1-NE 3.34Å |
| 84 | K | 94.4 | Very high | 88.6 | Confident | 125 Ų | 125 | 119.3 Ų | 119.3 | 54% | 0.543 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | 176.9 | 179.3 | -174.5 | 164.1 | -152.5 | 0 | 111.7 | M80 E81 E82 R87 K88 | M80-K84 WeakPolarHBondContact O-CB 3.36Å; M80-K84 PolarHBondContact O-N 3.48Å; E81-K84 WeakPolarHBondContact O-CB 3.41Å; E81-K84 PolarHBondContact O-N 2.9Å; E81-K84 IonicContact OE1-NZ 2.84Å; E81-K84 PolarHBondContact OE1-NZ 3.14Å; E81-K84 IonicContact OE2-NZ 3.31Å; E81-K84 PolarHBondContact OE2-NZ 2.88Å; E82-K84 VanDerWaalsContact C-N 3.28Å; E82-K84 PolarHBondContact O-N 2.94Å; K84-R87 PolarHBondContact O-N 3.14Å; K84-K88 WeakPolarHBondContact O-CB 3.22Å; K84-K88 PolarHBondContact O-N 3.26Å |
| 85 | E | 92.6 | Very high | 86.6 | Confident | 74 Ų | 74 | 118.6 Ų | 118.6 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -46.2 | 174.2 | -85.7 | -68.9 | 137.4 | 0 | 0 | 111.8 | E81 E82 R87 K88 R89 | E81-E85 PolarHBondContact O-N 3.44Å; E82-E85 PolarHBondContact O-N 3.4Å; E85-R87 PolarHBondContact O-N 3.01Å; E85-K88 PolarHBondContact O-N 3.27Å; E85-R89 WeakPolarHBondContact O-CG 3.44Å; E85-R89 PolarHBondContact O-N 3Å; E85-R89 IonicContact OE2-NE 3.64Å; E85-R89 IonicContact OE2-NH2 3.99Å |
| 86 | L | 91.4 | Very high | 84.3 | Confident | 85 Ų | 85 | 117.7 Ų | 117.7 | 45% | 0.445 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.2 | -43.4 | 177.4 | -72.3 | 173.2 | 0 | 0 | 0 | 111.9 | E82 N83 K88 R89 L90 | E82-L86 HydrophobicContact CG-CD1 3.95Å; E82-L86 HydrophobicContact CG-CG 4.29Å; E82-L86 WeakPolarHBondContact O-CB 3.33Å; E82-L86 VanDerWaalsContact O-CG 3.28Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 2.85Å; N83-L86 PolarHBondContact O-N 3.45Å; L86-K88 PolarHBondContact O-N 2.93Å; L86-R89 PolarHBondContact O-N 2.91Å; L86-L90 WeakPolarHBondContact O-CB 3.21Å; L86-L90 PolarHBondContact O-N 2.94Å |
| 87 | R | 89.7 | Confident | 82.1 | Confident | 161 Ų | 161 | 120.4 Ų | 120.4 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -42.6 | 174.2 | -76.9 | 172.2 | -179.6 | -92.1 | 0.5 | 111.9 | N83 K84 E85 R89 L90 L91 | N83-R87 WeakPolarHBondContact O-CB 3.11Å; N83-R87 WeakPolarHBondContact O-CG 3.47Å; N83-R87 PolarHBondContact O-N 2.92Å; N83-R87 PolarHBondContact OD1-NE 3.34Å; K84-R87 PolarHBondContact O-N 3.14Å; E85-R87 PolarHBondContact O-N 3.01Å; R87-R89 VanDerWaalsContact C-N 3.31Å; R87-R89 PolarHBondContact O-N 3.36Å; R87-L90 PolarHBondContact O-N 3.5Å; R87-L91 PolarHBondContact O-N 3.42Å |
| 88 | K | 91.1 | Very high | 79.9 | Confident | 126 Ų | 126 | 124.1 Ų | 124.1 | 55% | 0.548 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.2 | -35.9 | 176.4 | -175.3 | -177.3 | 175.9 | -172 | 0 | 112.2 | K84 E85 L86 Q92 | K84-K88 WeakPolarHBondContact O-CB 3.22Å; K84-K88 PolarHBondContact O-N 3.26Å; E85-K88 PolarHBondContact O-N 3.27Å; L86-K88 PolarHBondContact O-N 2.93Å; K88-Q92 PolarHBondContact O-NE2 2.83Å |
| 89 | R | 87.4 | Confident | 77.7 | Confident | 145 Ų | 145 | 127 Ų | 127 | 55% | 0.547 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.9 | -44.8 | 173.1 | -70.6 | 178.7 | -168.9 | -174.8 | 3.2 | 111.2 | E85 L86 R87 L91 Q92 Y93 | E85-R89 WeakPolarHBondContact O-CG 3.44Å; E85-R89 PolarHBondContact O-N 3Å; E85-R89 IonicContact OE2-NE 3.64Å; E85-R89 IonicContact OE2-NH2 3.99Å; L86-R89 PolarHBondContact O-N 2.91Å; R87-R89 VanDerWaalsContact C-N 3.31Å; R87-R89 PolarHBondContact O-N 3.36Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 3.27Å; R89-Q92 WeakPolarHBondContact O-CB 3.41Å; R89-Q92 PolarHBondContact O-N 3.01Å; R89-Y93 VanDerWaalsContact O-CD2 3.24Å; R89-Y93 WeakPolarHBondContact O-CD2 3.49Å; R89-Y93 PolarHBondContact O-N 3.39Å |
| 90 | L | 84.4 | Confident | 75.5 | Confident | 123 Ų | 123 | 125.8 Ų | 125.8 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -57.4 | -42.6 | 175.8 | -83.7 | 166.5 | 0 | 0 | 0 | 112.1 | L86 R87 Q92 Y93 E94 | L86-L90 WeakPolarHBondContact O-CB 3.21Å; L86-L90 PolarHBondContact O-N 2.94Å; R87-L90 PolarHBondContact O-N 3.5Å; L90-Q92 PolarHBondContact O-N 3.36Å; L90-Y93 CarbonylContact O-C 3.43Å; L90-Y93 PolarHBondContact O-N 3.1Å; L90-E94 PolarHBondContact O-N 3.39Å |
| 91 | L | 81.6 | Confident | 73.3 | Confident | 121 Ų | 121 | 124.4 Ų | 124.4 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -59.6 | -26.1 | 174.4 | -97.9 | 146.7 | 0 | 0 | 0 | 114.1 | R87 R89 Y93 | R87-L91 PolarHBondContact O-N 3.42Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 3.27Å; L91-Y93 VanDerWaalsContact C-N 3.34Å |
| 92 | Q | 75.4 | Confident | 70.8 | Confident | 140 Ų | 140 | 124.7 Ų | 124.7 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.4 | -18.3 | 174.6 | -72.8 | 172.9 | 70.1 | 0 | 0 | 113.1 | K88 R89 L90 | K88-Q92 PolarHBondContact O-NE2 2.83Å; R89-Q92 WeakPolarHBondContact O-CB 3.41Å; R89-Q92 PolarHBondContact O-N 3.01Å; L90-Q92 PolarHBondContact O-N 3.36Å |
| 93 | Y | 66.8 | Low | 68.2 | Low | 196 Ų | 196 | 132.5 Ų | 132.5 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -109 | -0.1 | 178.9 | -69.8 | -74.2 | 0 | 0 | 0 | 112.8 | R89 L90 L91 P95 | R89-Y93 VanDerWaalsContact O-CD2 3.24Å; R89-Y93 WeakPolarHBondContact O-CD2 3.49Å; R89-Y93 PolarHBondContact O-N 3.39Å; L90-Y93 CarbonylContact O-C 3.43Å; L90-Y93 PolarHBondContact O-N 3.1Å; L91-Y93 VanDerWaalsContact C-N 3.34Å; Y93-P95 VanDerWaalsContact O-CD 3.25Å; Y93-P95 WeakPolarHBondContact O-CD 3.16Å |
| 94 | E | 56.9 | Low | 66.9 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -65 | 114.6 | 167.4 | -120.2 | 177.1 | -175.7 | 0 | 0 | 107.1 | L90 T96 | L90-E94 PolarHBondContact O-N 3.39Å; E94-T96 PolarHBondContact O-N 3.26Å |
| 95 | P | 52.3 | Low | 65.4 | Low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | trans | -63.8 | 127.5 | 177.1 | 27.2 | -32 | 0 | 0 | 0 | 107.7 | Y93 P97 | Y93-P95 VanDerWaalsContact O-CD 3.25Å; Y93-P95 WeakPolarHBondContact O-CD 3.16Å; P95-P97 WeakPolarHBondContact O-CD 3.37Å | ||
| 96 | T | 46.8 | Very low | 63.9 | Low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | -48.2 | 125 | 156.9 | 26 | 0 | 0 | 0 | 0 | 107.3 | E94 E98 | E94-T96 PolarHBondContact O-N 3.26Å; T96-E98 PolarHBondContact O-N 3.44Å | ||
| 97 | P | 49 | Very low | 62.3 | Low | 131 Ų | 131 | 142.2 Ų | 142.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -74.3 | 56.5 | 178.2 | 32.1 | -34.4 | 0 | 0 | 0 | 110.5 | P95 | P95-P97 WeakPolarHBondContact O-CD 3.37Š|
| 98 | E | 49.9 | Very low | 60.6 | Low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -137 | 46.2 | 176.5 | -73.5 | -155.5 | 136.5 | 0 | 0 | 111.6 | T96 | T96-E98 PolarHBondContact O-N 3.44Š| ||
| 99 | D | 48.4 | Very low | 58.6 | Low | 171 Ų | 171 | 142 Ų | 142 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -142.7 | 42.4 | 159.2 | -142.1 | 12.2 | 0 | 0 | 0 | 112.1 | ||
| 100 | G | 49.6 | Very low | 56.5 | Low | 79 Ų | 79 | 141.8 Ų | 141.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -147 | 20.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 101 | A | 48.2 | Very low | 54.4 | Low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -152.9 | 70.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 102 | A | 42.9 | Very low | 52.1 | Low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -141.8 | 127.9 | 149 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 103 | E | 39.1 | Very low | 50 | Low | 278 Ų | 278 | 145.5 Ų | 145.5 | 100% | 1.299 | 84% | 0.84 | S | S | * | * | trans | -55.6 | 0 | -175.3 | -64.6 | 173.3 | 126.3 | 0 | 0 | 114.8 |
Retrieved 103 of 103 residues in 232.5 ms
(Link to these results)