| 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 | 70.8 | Confident | 87.5 | Confident | 230 Ų | 230 | 146.2 Ų | 146.2 | 100% | 1.133 | 70% | 0.695 | S | S | * | * | 0 | 108.7 | 0 | -167.9 | -178.8 | -175.5 | 0 | 0 | 108.1 | |||||
| 2 | K | 79.6 | Confident | 87.7 | Confident | 213 Ų | 213 | 141.5 Ų | 141.5 | 93% | 0.926 | 68% | 0.683 | S | S | * | * | trans | -83.9 | 113.1 | 173.9 | -73.1 | -175.4 | -179.3 | 178.8 | 0 | 107.9 | N4 | K2-N4 PolarHBondContact O-N 3.26Š| ||
| 3 | I | 84.3 | Confident | 88 | Confident | 141 Ų | 141 | 135.1 Ų | 135.1 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | trans | -76 | 110.6 | 174.8 | -60.7 | 173.7 | 0 | 0 | 0 | 107.3 | W5 | I3-W5 HydrophobicContact CG2-CB 3.65Å; I3-W5 PolarHBondContact O-N 3.29Å; I3-W5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | N | 89.1 | Confident | 88.2 | Confident | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | trans | -84.7 | 60.2 | 172.3 | -167 | -17.7 | 0 | 0 | 0 | 109.8 | K2 | K2-N4 PolarHBondContact O-N 3.26Š| ||
| 5 | W | 90.6 | Very high | 88.3 | Confident | 177 Ų | 177 | 126.2 Ų | 126.2 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 124 | 173.6 | 174.4 | 79.2 | 0 | 0 | 0 | 109 | I3 C7 | I3-W5 HydrophobicContact CG2-CB 3.65Å; I3-W5 PolarHBondContact O-N 3.29Å; I3-W5 VanDerWaalsContact O-N 3.09Å; W5-C7 HydrophobicContact CH2-CB 3.61Å; W5-C7 HydrophobicContact CZ2-CB 4.1Å; W5-C7 HydrophobicContact CZ3-CB 3.99Å |
| 6 | K | 91.3 | Very high | 88.4 | Confident | 171 Ų | 171 | 124.3 Ų | 124.3 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 124.8 | 171.9 | -66 | -176.4 | -180 | -178.6 | 0 | 108.3 | ||
| 7 | C | 89.9 | Confident | 88.6 | Confident | 94 Ų | 94 | 118.4 Ų | 118.4 | 64% | 0.635 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.5 | 173.3 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | W5 | W5-C7 HydrophobicContact CH2-CB 3.61Å; W5-C7 HydrophobicContact CZ2-CB 4.1Å; W5-C7 HydrophobicContact CZ3-CB 3.99Å |
| 8 | P | 90.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 116.7 Ų | 116.7 | 42% | 0.416 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 154.6 | 175.1 | 26.9 | -33.9 | 0 | 0 | 0 | 111 | W10 Y13 | P8-W10 PolarHBondContact O-N 3.36Å; P8-Y13 HydrophobicContact CG-CE2 4.34Å; P8-Y13 WeakPolarHBondContact CG-OH 3.48Å |
| 9 | D | 92.7 | Very high | 88.9 | Confident | 86 Ų | 86 | 112.5 Ų | 112.5 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 122.3 | 176.4 | -174 | 6.3 | 0 | 0 | 0 | 110.1 | K11 T12 | D9-K11 PolarHBondContact O-N 3.16Å; D9-K11 PolarHBondContact OD1-N 3.37Å; D9-T12 WeakPolarHBondContact O-CB 3.31Å; D9-T12 PolarHBondContact O-N 3.14Å; D9-T12 PolarHBondContact O-OG1 3.09Å |
| 10 | W | 91.4 | Very high | 89.1 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.6 | -177.5 | 64.5 | -90.5 | 0 | 0 | 0 | 112.1 | P8 T12 Y13 | P8-W10 PolarHBondContact O-N 3.36Å; W10-T12 PolarHBondContact O-N 3.27Å; W10-Y13 PolarHBondContact O-N 3.36Å |
| 11 | K | 92.3 | Very high | 89.3 | Confident | 134 Ų | 134 | 106.3 Ų | 106.3 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -66.7 | -21 | 178.3 | -64.2 | 179.7 | -179.6 | -179.7 | 0 | 113.1 | D9 Y13 | D9-K11 PolarHBondContact O-N 3.16Å; D9-K11 PolarHBondContact OD1-N 3.37Å; K11-Y13 PolarHBondContact O-N 3.39Å |
| 12 | T | 90.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -68.2 | -22.6 | 176.4 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | D9 W10 T14 | D9-T12 WeakPolarHBondContact O-CB 3.31Å; D9-T12 PolarHBondContact O-N 3.14Å; D9-T12 PolarHBondContact O-OG1 3.09Å; W10-T12 PolarHBondContact O-N 3.27Å; T12-T14 PolarHBondContact O-N 3.47Å |
| 13 | Y | 91.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | trans | -84.5 | 91.2 | 178.2 | -57.9 | -66.9 | 0 | 0 | 0 | 110.3 | P8 W10 K11 R38 W42 L45 | P8-Y13 HydrophobicContact CG-CE2 4.34Å; P8-Y13 WeakPolarHBondContact CG-OH 3.48Å; W10-Y13 PolarHBondContact O-N 3.36Å; K11-Y13 PolarHBondContact O-N 3.39Å; Y13-R38 WeakPolarHBondContact O-CD 3.29Å; Y13-R38 WeakPolarHBondContact O-CG 3.45Å; Y13-W42 HydrophobicContact CD1-CB 3.74Å; Y13-W42 HydrophobicContact CE1-CB 3.34Å; Y13-L45 HydrophobicContact CD1-CD1 4.45Å; Y13-L45 HydrophobicContact CE1-CD1 3.7Å; Y13-L45 HydrophobicContact CE1-CG 4.39Å | ||
| 14 | T | 90.9 | Very high | 91.8 | Very high | 61 Ų | 61 | 89.4 Ų | 89.4 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | trans | -100.5 | 165.5 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | T12 D16 P17 A41 | T12-T14 PolarHBondContact O-N 3.47Å; T14-D16 VanDerWaalsContact CB-OD2 3.28Å; T14-D16 WeakPolarHBondContact CB-OD2 3.49Å; T14-D16 PolarHBondContact O-N 3.28Å; T14-D16 VanDerWaalsContact O-N 3.15Å; T14-D16 PolarHBondContact OG1-OD2 2.86Å; T14-P17 WeakPolarHBondContact O-CD 3.32Å; T14-A41 VanDerWaalsContact O-CB 3.3Å; T14-A41 WeakPolarHBondContact O-CB 3.32Å | ||
| 15 | L | 89.8 | Confident | 92.1 | Very high | 76 Ų | 76 | 87.9 Ų | 87.9 | 40% | 0.398 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -78.3 | 18.9 | 174.4 | -70.2 | 162.3 | 0 | 0 | 0 | 112.4 | P17 L20 K21 V24 A37 | L15-P17 VanDerWaalsContact C-CD 3.4Å; L15-L20 HydrophobicContact CD2-CD1 4.5Å; L15-L20 HydrophobicContact CD2-CD2 3.71Å; L15-L20 HydrophobicContact CD2-CG 3.77Å; L15-K21 VanDerWaalsContact O-CE 3.31Å; L15-K21 WeakPolarHBondContact O-CE 3.41Å; L15-K21 WeakPolarHBondContact O-CG 3.32Å; L15-V24 HydrophobicContact CD2-CG2 4.23Å; L15-A37 HydrophobicContact CD2-CB 3.59Å |
| 16 | D | 90.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 85.2 Ų | 85.2 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | trans | -67.4 | -32.7 | -175.8 | -71.6 | -45.4 | 0 | 0 | 0 | 116.7 | T14 K21 | T14-D16 VanDerWaalsContact CB-OD2 3.28Å; T14-D16 WeakPolarHBondContact CB-OD2 3.49Å; T14-D16 PolarHBondContact O-N 3.28Å; T14-D16 VanDerWaalsContact O-N 3.15Å; T14-D16 PolarHBondContact OG1-OD2 2.86Å; D16-K21 WeakPolarHBondContact O-CD 3.4Å; D16-K21 WeakPolarHBondContact O-CE 3.46Å; D16-K21 PolarHBondContact O-NZ 3.46Å; D16-K21 IonicContact OD1-NZ 3.56Å; D16-K21 PolarHBondContact OD1-NZ 2.99Å | ||
| 17 | P | 90.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 78.7 Ų | 78.7 | 16% | 0.156 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -57.3 | 131.8 | -177.5 | -27.7 | 35.3 | 0 | 0 | 0 | 113.1 | T14 L15 P19 L20 K21 Y44 | T14-P17 WeakPolarHBondContact O-CD 3.32Å; L15-P17 VanDerWaalsContact C-CD 3.4Å; P17-P19 VanDerWaalsContact C-CD 3.47Å; P17-L20 HydrophobicContact CB-CB 4.32Å; P17-L20 WeakPolarHBondContact O-CB 3.38Å; P17-L20 PolarHBondContact O-N 3.43Å; P17-K21 PolarHBondContact O-N 2.95Å; P17-Y44 VanDerWaalsContact CB-CB 3.44Å; P17-Y44 HydrophobicContact CB-CD2 4.24Å; P17-Y44 HydrophobicContact CB-CG 3.9Å; P17-Y44 HydrophobicContact CG-CG 4.37Å |
| 18 | P | 91.4 | Very high | 93 | Very high | 88 Ų | 88 | 77.2 Ų | 77.2 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -52.5 | -44.3 | -177.6 | -24.8 | 31.2 | 0 | 0 | 0 | 114.8 | L20 K21 E22 | P18-L20 PolarHBondContact O-N 3.3Å; P18-K21 PolarHBondContact O-N 3.45Å; P18-E22 WeakPolarHBondContact O-CG 3.37Å; P18-E22 PolarHBondContact O-N 3.03Å |
| 19 | P | 91.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 82.4 Ų | 82.4 | 24% | 0.24 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.3 | -31.9 | 179.7 | -23.7 | 35.4 | 0 | 0 | 0 | 113.2 | P17 H23 Y44 | P17-P19 VanDerWaalsContact C-CD 3.47Å; P19-H23 PolarHBondContact O-N 3.47Å; P19-H23 VanDerWaalsContact O-N 3.16Å; P19-Y44 HydrophobicContact CB-CD1 4.2Å; P19-Y44 HydrophobicContact CB-CE1 3.57Å; P19-Y44 HydrophobicContact CG-CD1 3.91Å; P19-Y44 HydrophobicContact CG-CE1 3.68Å |
| 20 | L | 93.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 84.4 Ų | 84.4 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -78.7 | -37.5 | -179.4 | -167.9 | 56.6 | 0 | 0 | 0 | 111.5 | L15 P17 P18 H23 V24 A37 A41 Y44 | L15-L20 HydrophobicContact CD2-CD1 4.5Å; L15-L20 HydrophobicContact CD2-CD2 3.71Å; L15-L20 HydrophobicContact CD2-CG 3.77Å; P17-L20 HydrophobicContact CB-CB 4.32Å; P17-L20 WeakPolarHBondContact O-CB 3.38Å; P17-L20 PolarHBondContact O-N 3.43Å; P18-L20 PolarHBondContact O-N 3.3Å; L20-H23 PolarHBondContact O-N 3.24Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.21Å; L20-A37 HydrophobicContact CD1-CB 4.08Å; L20-A37 WeakPolarHBondContact CD1-O 3.19Å; L20-A37 WeakPolarHBondContact CD2-O 3.49Å; L20-A41 HydrophobicContact CD2-CB 3.85Å; L20-Y44 HydrophobicContact CB-CD2 4.43Å; L20-Y44 HydrophobicContact CB-CE2 4.37Å |
| 21 | K | 94.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 80.5 Ų | 80.5 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 170.6 | -71 | -177.4 | 165.3 | 149.4 | 0 | 111.2 | L15 D16 P17 P18 H23 V24 E25 | L15-K21 VanDerWaalsContact O-CE 3.31Å; L15-K21 WeakPolarHBondContact O-CE 3.41Å; L15-K21 WeakPolarHBondContact O-CG 3.32Å; D16-K21 WeakPolarHBondContact O-CD 3.4Å; D16-K21 WeakPolarHBondContact O-CE 3.46Å; D16-K21 PolarHBondContact O-NZ 3.46Å; D16-K21 IonicContact OD1-NZ 3.56Å; D16-K21 PolarHBondContact OD1-NZ 2.99Å; P17-K21 PolarHBondContact O-N 2.95Å; P18-K21 PolarHBondContact O-N 3.45Å; K21-H23 VanDerWaalsContact C-N 3.28Å; K21-H23 PolarHBondContact O-N 2.99Å; K21-V24 PolarHBondContact O-N 3.37Å; K21-E25 WeakPolarHBondContact O-CB 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.2Å |
| 22 | E | 94.9 | Very high | 94 | Very high | 98 Ų | 98 | 79 Ų | 79 | 46% | 0.458 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 177.5 | -73.7 | 179.1 | -155.8 | 0 | 0 | 112.6 | P18 K26 | P18-E22 WeakPolarHBondContact O-CG 3.37Å; P18-E22 PolarHBondContact O-N 3.03Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 WeakPolarHBondContact O-CD 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.69Å; E22-K26 IonicContact OE2-NZ 2.6Å |
| 23 | H | 95.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 84 Ų | 84 | 35% | 0.352 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 176 | 175.9 | 68.9 | 0 | 0 | 0 | 111.7 | P19 L20 K21 E25 K26 L27 D34 | P19-H23 PolarHBondContact O-N 3.47Å; P19-H23 VanDerWaalsContact O-N 3.16Å; L20-H23 PolarHBondContact O-N 3.24Å; K21-H23 VanDerWaalsContact C-N 3.28Å; K21-H23 PolarHBondContact O-N 2.99Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 3.41Å; H23-K26 PolarHBondContact O-N 2.93Å; H23-L27 WeakPolarHBondContact NE2-CD1 3.3Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.44Å; H23-D34 IonicContact CD2-OD2 3.76Å; H23-D34 IonicContact NE2-OD2 3.74Å; H23-D34 PolarHBondContact NE2-OD2 3.21Å; H23-D34 VanDerWaalsContact NE2-OD2 3.14Å |
| 24 | V | 95.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 83.1 Ų | 83.1 | 33% | 0.333 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L15 L20 K21 L27 A28 A37 | L15-V24 HydrophobicContact CD2-CG2 4.23Å; L20-V24 WeakPolarHBondContact O-CG2 3.29Å; L20-V24 PolarHBondContact O-N 3.21Å; K21-V24 PolarHBondContact O-N 3.37Å; V24-L27 PolarHBondContact O-N 3.24Å; V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 3.32Å; V24-A37 HydrophobicContact CG2-CB 3.85Å |
| 25 | E | 96.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 85.4 Ų | 85.4 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.1 | -74.4 | 173.8 | -166.9 | 0 | 0 | 112.4 | K21 H23 A28 K29 | K21-E25 WeakPolarHBondContact O-CB 3.29Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.2Å; H23-E25 VanDerWaalsContact C-N 3.34Å; H23-E25 PolarHBondContact O-N 3.41Å; E25-A28 PolarHBondContact O-N 2.96Å; E25-K29 WeakPolarHBondContact O-CG 3.01Å; E25-K29 PolarHBondContact O-N 2.89Å |
| 26 | K | 97.1 | Very high | 94.8 | Very high | 121 Ų | 121 | 89.7 Ų | 89.7 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.5 | -76.7 | 166 | -175.7 | 164.2 | 0 | 111.6 | E22 H23 K29 | E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 WeakPolarHBondContact O-CD 3.41Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.69Å; E22-K26 IonicContact OE2-NZ 2.6Å; H23-K26 PolarHBondContact O-N 2.93Å; K26-K29 PolarHBondContact O-N 2.89Å |
| 27 | L | 97 | Very high | 94.9 | Very high | 34 Ų | 34 | 85.2 Ų | 85.2 | 18% | 0.178 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 175.5 | -71.9 | 176.8 | 0 | 0 | 0 | 112.2 | H23 V24 K29 L30 G31 L32 D34 | H23-L27 WeakPolarHBondContact NE2-CD1 3.3Å; H23-L27 WeakPolarHBondContact O-CG 3.35Å; H23-L27 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 3.24Å; L27-K29 VanDerWaalsContact C-N 3.25Å; L27-K29 PolarHBondContact O-N 2.99Å; L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.33Å; L27-L30 WeakPolarHBondContact O-CB 3.38Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-G31 PolarHBondContact O-N 3.31Å; L27-L32 CarbonylContact C-O 3.18Å; L27-L32 HydrophobicContact CB-CB 4.21Å; L27-L32 HydrophobicContact CD2-CB 4.15Å; L27-L32 HydrophobicContact CD2-CD1 4.21Å; L27-L32 PolarHBondContact O-N 3.32Å; L27-D34 HydrophobicContact CD1-CB 3.55Å |
| 28 | A | 96.3 | Very high | 95 | Very high | 62 Ų | 62 | 90.3 Ų | 90.3 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V24 E25 L30 G31 L32 | V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 3.32Å; E25-A28 PolarHBondContact O-N 2.96Å; A28-L30 PolarHBondContact O-N 3.48Å; A28-G31 PolarHBondContact O-N 2.89Å; A28-L32 PolarHBondContact N-O 3.3Å |
| 29 | K | 97.3 | Very high | 95.2 | Very high | 173 Ų | 173 | 90.3 Ų | 90.3 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.1 | -24.6 | 172.6 | -72 | 171.7 | -174.4 | 179.7 | 0 | 113.5 | E25 K26 L27 | E25-K29 WeakPolarHBondContact O-CG 3.01Å; E25-K29 PolarHBondContact O-N 2.89Å; K26-K29 PolarHBondContact O-N 2.89Å; L27-K29 VanDerWaalsContact C-N 3.25Å; L27-K29 PolarHBondContact O-N 2.99Å |
| 30 | L | 97.2 | Very high | 95.2 | Very high | 129 Ų | 129 | 93.9 Ų | 93.9 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.7 | 175.2 | -59.4 | 173.6 | 0 | 0 | 0 | 112.7 | L27 A28 L32 | L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.33Å; L27-L30 WeakPolarHBondContact O-CB 3.38Å; L27-L30 PolarHBondContact O-N 3.41Å; A28-L30 PolarHBondContact O-N 3.48Å; L30-L32 HydrophobicContact CB-CD1 4.16Å; L30-L32 HydrophobicContact CB-CG 4.22Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 PolarHBondContact O-N 3.04Å |
| 31 | G | 96.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 74% | 0.742 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 14.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | L27 A28 | L27-G31 PolarHBondContact O-N 3.31Å; A28-G31 PolarHBondContact O-N 2.89Å |
| 32 | L | 97 | Very high | 95.1 | Very high | 104 Ų | 104 | 95 Ų | 95 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | trans | -100.3 | 148.3 | -179.4 | -64.1 | 173.4 | 0 | 0 | 0 | 111.1 | L27 A28 L30 | L27-L32 CarbonylContact C-O 3.18Å; L27-L32 HydrophobicContact CB-CB 4.21Å; L27-L32 HydrophobicContact CD2-CB 4.15Å; L27-L32 HydrophobicContact CD2-CD1 4.21Å; L27-L32 PolarHBondContact O-N 3.32Å; A28-L32 PolarHBondContact N-O 3.3Å; L30-L32 HydrophobicContact CB-CD1 4.16Å; L30-L32 HydrophobicContact CB-CG 4.22Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 PolarHBondContact O-N 3.04Å | ||
| 33 | K | 95 | Very high | 95 | Very high | 194 Ų | 194 | 94 Ų | 94 | 84% | 0.843 | 47% | 0.466 | S | S | * | . | trans | -126.3 | 129.1 | 174.2 | -176.3 | 177.5 | -179 | 178.7 | 0 | 109.8 | P35 | K33-P35 WeakPolarHBondContact O-CD 3.31Š| ||
| 34 | D | 95 | Very high | 94.9 | Very high | 39 Ų | 39 | 93.6 Ų | 93.6 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | trans | -94 | 108.9 | 175.7 | -178.9 | 2.4 | 0 | 0 | 0 | 111 | H23 L27 W36 A37 | H23-D34 IonicContact CD2-OD2 3.76Å; H23-D34 IonicContact NE2-OD2 3.74Å; H23-D34 PolarHBondContact NE2-OD2 3.21Å; H23-D34 VanDerWaalsContact NE2-OD2 3.14Å; L27-D34 HydrophobicContact CD1-CB 3.55Å; D34-W36 PolarHBondContact O-N 2.89Å; D34-W36 WeakPolarHBondContact OD1-CA 3.34Å; D34-W36 WeakPolarHBondContact OD1-CB 3.28Å; D34-W36 PolarHBondContact OD1-N 3.28Å; D34-A37 HydrophobicContact CB-CB 4.25Å; D34-A37 PolarHBondContact OD1-N 2.72Å | ||
| 35 | P | 94.5 | Very high | 94.5 | Very high | 109 Ų | 109 | 93.5 Ų | 93.5 | 71% | 0.708 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.4 | 177.4 | 29.8 | -33.8 | 0 | 0 | 0 | 113.1 | K33 | K33-P35 WeakPolarHBondContact O-CD 3.31Š|
| 36 | W | 94 | Very high | 94 | Very high | 166 Ų | 166 | 94 Ų | 94 | 63% | 0.629 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -0.4 | -177.5 | -62.7 | 101.7 | 0 | 0 | 0 | 113.5 | D34 R38 N39 Y40 | D34-W36 PolarHBondContact O-N 2.89Å; D34-W36 WeakPolarHBondContact OD1-CA 3.34Å; D34-W36 WeakPolarHBondContact OD1-CB 3.28Å; D34-W36 PolarHBondContact OD1-N 3.28Å; W36-R38 PolarHBondContact O-N 3.45Å; W36-R38 VanDerWaalsContact O-N 3.12Å; W36-N39 HydrophobicContact CE3-CB 4.13Å; W36-N39 WeakPolarHBondContact O-CA 3.35Å; W36-N39 WeakPolarHBondContact O-CB 3.48Å; W36-N39 PolarHBondContact O-N 2.95Å; W36-Y40 HydrophobicContact CB-CE2 4.22Å; W36-Y40 WeakPolarHBondContact O-CD2 3.41Å |
| 37 | A | 93.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 97.4 Ų | 97.4 | 3% | 0.025 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -50.9 | -45 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L15 L20 V24 D34 N39 Y40 | L15-A37 HydrophobicContact CD2-CB 3.59Å; L20-A37 HydrophobicContact CD1-CB 4.08Å; L20-A37 WeakPolarHBondContact CD1-O 3.19Å; L20-A37 WeakPolarHBondContact CD2-O 3.49Å; V24-A37 HydrophobicContact CG2-CB 3.85Å; D34-A37 HydrophobicContact CB-CB 4.25Å; D34-A37 PolarHBondContact OD1-N 2.72Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 3.2Å; A37-Y40 PolarHBondContact O-N 3.24Å; A37-Y40 VanDerWaalsContact O-N 3.13Å |
| 38 | R | 93 | Very high | 93.1 | Very high | 130 Ų | 130 | 100 Ų | 100 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -64 | -29.4 | 177.5 | 179.7 | 169 | 44.4 | 177.5 | -5.7 | 114.1 | Y13 W36 Y40 A41 | Y13-R38 WeakPolarHBondContact O-CD 3.29Å; Y13-R38 WeakPolarHBondContact O-CG 3.45Å; W36-R38 PolarHBondContact O-N 3.45Å; W36-R38 VanDerWaalsContact O-N 3.12Å; R38-Y40 PolarHBondContact O-N 3.09Å; R38-A41 VanDerWaalsContact O-CB 3.25Å; R38-A41 WeakPolarHBondContact O-CB 3.38Å; R38-A41 PolarHBondContact O-N 2.99Å |
| 39 | N | 93.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 102 Ų | 102 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -61.1 | -25.4 | 176.5 | -174.6 | 57.8 | 0 | 0 | 0 | 111.9 | W36 A37 W42 | W36-N39 HydrophobicContact CE3-CB 4.13Å; W36-N39 WeakPolarHBondContact O-CA 3.35Å; W36-N39 WeakPolarHBondContact O-CB 3.48Å; W36-N39 PolarHBondContact O-N 2.95Å; A37-N39 VanDerWaalsContact C-N 3.29Å; A37-N39 PolarHBondContact O-N 3.2Å; N39-W42 PolarHBondContact O-NE1 2.99Å |
| 40 | Y | 93.5 | Very high | 92.3 | Very high | 112 Ų | 112 | 98 Ų | 98 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -93 | -4.3 | 178.7 | -61.7 | -69.1 | 0 | 0 | 0 | 113.7 | W36 A37 R38 W42 Q43 | W36-Y40 HydrophobicContact CB-CE2 4.22Å; W36-Y40 WeakPolarHBondContact O-CD2 3.41Å; A37-Y40 PolarHBondContact O-N 3.24Å; A37-Y40 VanDerWaalsContact O-N 3.13Å; R38-Y40 PolarHBondContact O-N 3.09Å; Y40-W42 PolarHBondContact O-N 3.42Å; Y40-Q43 WeakPolarHBondContact O-CB 3.4Å; Y40-Q43 PolarHBondContact O-N 3.44Å; Y40-Q43 VanDerWaalsContact O-N 3.09Å |
| 41 | A | 93.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 94.4 Ų | 94.4 | 3% | 0.033 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -61.3 | -29.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T14 L20 R38 Q43 Y44 | T14-A41 VanDerWaalsContact O-CB 3.3Å; T14-A41 WeakPolarHBondContact O-CB 3.32Å; L20-A41 HydrophobicContact CD2-CB 3.85Å; R38-A41 VanDerWaalsContact O-CB 3.25Å; R38-A41 WeakPolarHBondContact O-CB 3.38Å; R38-A41 PolarHBondContact O-N 2.99Å; A41-Q43 PolarHBondContact O-N 2.92Å; A41-Y44 PolarHBondContact O-N 3.43Å; A41-Y44 VanDerWaalsContact O-N 3.09Å |
| 42 | W | 91.4 | Very high | 91.5 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -60.5 | -30 | 177.7 | 71 | -97.1 | 0 | 0 | 0 | 112.7 | Y13 N39 Y40 Y44 L45 I48 | Y13-W42 HydrophobicContact CD1-CB 3.74Å; Y13-W42 HydrophobicContact CE1-CB 3.34Å; N39-W42 PolarHBondContact O-NE1 2.99Å; Y40-W42 PolarHBondContact O-N 3.42Å; W42-Y44 PolarHBondContact O-N 3.48Å; W42-L45 WeakPolarHBondContact O-CG 3.49Å; W42-L45 PolarHBondContact O-N 2.97Å; W42-I48 HydrophobicContact CE3-CD1 3.75Å; W42-I48 HydrophobicContact CZ3-CD1 4.15Å |
| 43 | Q | 92.4 | Very high | 91.2 | Very high | 77 Ų | 77 | 100.6 Ų | 100.6 | 36% | 0.36 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -65.5 | -27.4 | 179.7 | -62.5 | -172.4 | 23.7 | 0 | 0 | 112 | Y40 A41 Y49 | Y40-Q43 WeakPolarHBondContact O-CB 3.4Å; Y40-Q43 PolarHBondContact O-N 3.44Å; Y40-Q43 VanDerWaalsContact O-N 3.09Å; A41-Q43 PolarHBondContact O-N 2.92Å; Q43-Y49 WeakPolarHBondContact O-CB 3.48Å |
| 44 | Y | 92.4 | Very high | 91.1 | Very high | 66 Ų | 66 | 95.7 Ų | 95.7 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -97 | 7.8 | -176.7 | -60 | -71.8 | 0 | 0 | 0 | 114 | P17 P19 L20 A41 W42 Y49 | P17-Y44 VanDerWaalsContact CB-CB 3.44Å; P17-Y44 HydrophobicContact CB-CD2 4.24Å; P17-Y44 HydrophobicContact CB-CG 3.9Å; P17-Y44 HydrophobicContact CG-CG 4.37Å; P19-Y44 HydrophobicContact CB-CD1 4.2Å; P19-Y44 HydrophobicContact CB-CE1 3.57Å; P19-Y44 HydrophobicContact CG-CD1 3.91Å; P19-Y44 HydrophobicContact CG-CE1 3.68Å; L20-Y44 HydrophobicContact CB-CD2 4.43Å; L20-Y44 HydrophobicContact CB-CE2 4.37Å; A41-Y44 PolarHBondContact O-N 3.43Å; A41-Y44 VanDerWaalsContact O-N 3.09Å; W42-Y44 PolarHBondContact O-N 3.48Å; Y44-Y49 AromaticContact CD1-CD2 3.76Å; Y44-Y49 HydrophobicContact CD1-CD2 3.76Å; Y44-Y49 AromaticContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CG 4.07Å; Y44-Y49 HydrophobicContact CE1-CD2 4.18Å; Y44-Y49 HydrophobicContact CE1-CE2 4Å |
| 45 | L | 88.4 | Confident | 90.9 | Very high | 54 Ų | 54 | 98.4 Ų | 98.4 | 28% | 0.283 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -61.3 | 140.7 | 173.2 | -74.7 | 176.2 | 0 | 0 | 0 | 110.3 | Y13 W42 K47 I48 Y49 | Y13-L45 HydrophobicContact CD1-CD1 4.45Å; Y13-L45 HydrophobicContact CE1-CD1 3.7Å; Y13-L45 HydrophobicContact CE1-CG 4.39Å; W42-L45 WeakPolarHBondContact O-CG 3.49Å; W42-L45 PolarHBondContact O-N 2.97Å; L45-K47 PolarHBondContact O-N 3.48Å; L45-I48 PolarHBondContact O-N 3.24Å; L45-Y49 PolarHBondContact O-N 3.08Å |
| 46 | P | 85.5 | Confident | 90.8 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 79% | 0.792 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.3 | -179.2 | -27.4 | 34.2 | 0 | 0 | 0 | 115.1 | ||
| 47 | K | 85.9 | Confident | 90.8 | Very high | 192 Ų | 192 | 98.4 Ų | 98.4 | 84% | 0.835 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -28.7 | 176.4 | -174.1 | 175.2 | 179.8 | -179.9 | 0 | 113.1 | L45 | L45-K47 PolarHBondContact O-N 3.48Š|
| 48 | I | 87.9 | Confident | 90.6 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -52.5 | -172.6 | -61.3 | 176 | 0 | 0 | 0 | 109.4 | W42 L45 | W42-I48 HydrophobicContact CE3-CD1 3.75Å; W42-I48 HydrophobicContact CZ3-CD1 4.15Å; L45-I48 PolarHBondContact O-N 3.24Å |
| 49 | Y | 89.6 | Confident | 90.5 | Very high | 103 Ų | 103 | 101 Ų | 101 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | trans | -80.7 | 123.7 | 178.7 | -170.8 | -104.3 | 0 | 0 | 0 | 111.2 | Q43 Y44 L45 T51 | Q43-Y49 WeakPolarHBondContact O-CB 3.48Å; Y44-Y49 AromaticContact CD1-CD2 3.76Å; Y44-Y49 HydrophobicContact CD1-CD2 3.76Å; Y44-Y49 AromaticContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CE2 3.94Å; Y44-Y49 HydrophobicContact CD1-CG 4.07Å; Y44-Y49 HydrophobicContact CE1-CD2 4.18Å; Y44-Y49 HydrophobicContact CE1-CE2 4Å; L45-Y49 PolarHBondContact O-N 3.08Å; Y49-T51 HydrophobicContact CE1-CG2 4.3Å | ||
| 50 | K | 88.5 | Confident | 90.3 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | trans | -115.1 | 130.1 | 172.5 | -62.6 | -178.5 | -177.7 | 178.9 | 0 | 108.3 | Q54 E58 | K50-Q54 HydrophobicContact CB-CB 4.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.13Å; K50-E58 VanDerWaalsContact CE-OE2 3.28Å; K50-E58 WeakPolarHBondContact CE-OE2 3.22Å; K50-E58 IonicContact NZ-OE1 2.69Å; K50-E58 IonicContact NZ-OE2 3.57Å; K50-E58 PolarHBondContact NZ-OE2 3.2Å | ||
| 51 | T | 89 | Confident | 90.3 | Very high | 54 Ų | 54 | 100 Ų | 100 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | trans | -63.2 | 150.8 | 170.5 | 60.7 | 0 | 0 | 0 | 0 | 109.5 | Y49 P53 Q54 L55 | Y49-T51 HydrophobicContact CE1-CG2 4.3Å; T51-P53 VanDerWaalsContact C-CD 3.47Å; T51-P53 VanDerWaalsContact C-N 3.32Å; T51-Q54 WeakPolarHBondContact O-CA 3.28Å; T51-Q54 WeakPolarHBondContact O-CB 3.44Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.15Å; T51-Q54 PolarHBondContact OG1-OE1 3.19Å; T51-L55 PolarHBondContact O-N 3.33Å | ||
| 52 | R | 88.7 | Confident | 90.2 | Very high | 228 Ų | 228 | 102.1 Ų | 102.1 | 86% | 0.86 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -46.2 | -46.8 | 176.1 | -68 | -174.5 | 176.3 | -176.2 | -1.3 | 114 | Q54 L55 F56 | R52-Q54 PolarHBondContact O-N 2.93Å; R52-L55 PolarHBondContact O-N 2.6Å; R52-F56 WeakPolarHBondContact O-CB 3.45Å; R52-F56 PolarHBondContact O-N 2.92Å |
| 53 | P | 90.7 | Very high | 90.2 | Very high | 78 Ų | 78 | 103.8 Ų | 103.8 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 176.9 | 24.7 | -35.3 | 0 | 0 | 0 | 113.5 | T51 F56 R57 | T51-P53 VanDerWaalsContact C-CD 3.47Å; T51-P53 VanDerWaalsContact C-N 3.32Å; P53-F56 PolarHBondContact O-N 2.88Å; P53-R57 VanDerWaalsContact O-CG 3.28Å; P53-R57 WeakPolarHBondContact O-CG 3.47Å; P53-R57 PolarHBondContact O-N 2.93Å |
| 54 | Q | 91.5 | Very high | 90.2 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 173.8 | -74.7 | 166.2 | -30.7 | 0 | 0 | 110.7 | K50 T51 R52 F56 R57 E58 | K50-Q54 HydrophobicContact CB-CB 4.33Å; T51-Q54 WeakPolarHBondContact O-CA 3.28Å; T51-Q54 WeakPolarHBondContact O-CB 3.44Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.15Å; T51-Q54 PolarHBondContact OG1-OE1 3.19Å; R52-Q54 PolarHBondContact O-N 2.93Å; Q54-F56 PolarHBondContact O-N 3.34Å; Q54-R57 PolarHBondContact O-N 3.01Å; Q54-E58 WeakPolarHBondContact O-CB 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.28Å |
| 55 | L | 91.6 | Very high | 90.3 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.5 | -171.2 | 141.7 | 0 | 0 | 0 | 111.8 | T51 R52 R57 E58 V59 | T51-L55 PolarHBondContact O-N 3.33Å; R52-L55 PolarHBondContact O-N 2.6Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-E58 PolarHBondContact O-N 3.31Å; L55-V59 HydrophobicContact CD2-CG2 4.11Å; L55-V59 HydrophobicContact CG-CG2 4.15Å; L55-V59 WeakPolarHBondContact O-CB 3.11Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.83Å |
| 56 | F | 93 | Very high | 90.5 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.5 | -179.4 | -87.6 | 0 | 0 | 0 | 111.9 | R52 P53 Q54 L60 L61 | R52-F56 WeakPolarHBondContact O-CB 3.45Å; R52-F56 PolarHBondContact O-N 2.92Å; P53-F56 PolarHBondContact O-N 2.88Å; Q54-F56 PolarHBondContact O-N 3.34Å; F56-L60 HydrophobicContact CD2-CD1 3.46Å; F56-L60 VanDerWaalsContact CD2-CD1 3.46Å; F56-L60 HydrophobicContact CE2-CD1 3.25Å; F56-L60 HydrophobicContact CE2-CG 4.47Å; F56-L60 HydrophobicContact CG-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.96Å; F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 2.94Å; F56-L61 HydrophobicContact CD1-CG 4.39Å; F56-L61 HydrophobicContact CE1-CD1 4.31Å; F56-L61 HydrophobicContact CE1-CD2 4.22Å; F56-L61 HydrophobicContact CE1-CG 4.09Å; F56-L61 PolarHBondContact O-N 3.34Å |
| 57 | R | 92.9 | Very high | 91 | Very high | 165 Ų | 165 | 104.8 Ų | 104.8 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | I | π-helix | trans | -63.4 | -44.5 | 178.1 | -71.4 | 176.6 | 176.3 | 171.5 | 0.5 | 111.9 | P53 Q54 L55 L61 A62 | P53-R57 VanDerWaalsContact O-CG 3.28Å; P53-R57 WeakPolarHBondContact O-CG 3.47Å; P53-R57 PolarHBondContact O-N 2.93Å; Q54-R57 PolarHBondContact O-N 3.01Å; L55-R57 PolarHBondContact O-N 3.23Å; R57-L61 HydrophobicContact CB-CD1 4.45Å; R57-L61 HydrophobicContact CG-CD1 3.97Å; R57-L61 CarbonylContact O-C 3.56Å; R57-L61 WeakPolarHBondContact O-CA 3.33Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 PolarHBondContact O-N 3.47Å; R57-A62 PolarHBondContact O-N 3.23Å |
| 58 | E | 90.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -74.1 | -31.3 | -177.3 | -72.1 | -179.2 | -173.1 | 0 | 0 | 114 | K50 Q54 L55 A62 | K50-E58 WeakPolarHBondContact CD-OE2 3.13Å; K50-E58 VanDerWaalsContact CE-OE2 3.28Å; K50-E58 WeakPolarHBondContact CE-OE2 3.22Å; K50-E58 IonicContact NZ-OE1 2.69Å; K50-E58 IonicContact NZ-OE2 3.57Å; K50-E58 PolarHBondContact NZ-OE2 3.2Å; Q54-E58 WeakPolarHBondContact O-CB 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.28Å; L55-E58 PolarHBondContact O-N 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å |
| 59 | V | 90.4 | Very high | 91.9 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | I | π-helix | trans | -87.8 | -54.1 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | L55 | L55-V59 HydrophobicContact CD2-CG2 4.11Å; L55-V59 HydrophobicContact CG-CG2 4.15Å; L55-V59 WeakPolarHBondContact O-CB 3.11Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.28Å; L55-V59 PolarHBondContact O-N 2.83Å |
| 60 | L | 89 | Confident | 92.3 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -88.6 | -48.4 | -171.2 | -66 | 172 | 0 | 0 | 0 | 112 | F56 | F56-L60 HydrophobicContact CD2-CD1 3.46Å; F56-L60 VanDerWaalsContact CD2-CD1 3.46Å; F56-L60 HydrophobicContact CE2-CD1 3.25Å; F56-L60 HydrophobicContact CE2-CG 4.47Å; F56-L60 HydrophobicContact CG-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 3.96Å; F56-L60 WeakPolarHBondContact O-CB 3.41Å; F56-L60 PolarHBondContact O-N 2.94Å |
| 61 | L | 94 | Very high | 92.7 | Very high | 77 Ų | 77 | 96.8 Ų | 96.8 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -77.1 | -26.2 | -175.8 | -57 | -176.3 | 0 | 0 | 0 | 113.1 | F56 R57 K63 L64 P65 | F56-L61 HydrophobicContact CD1-CG 4.39Å; F56-L61 HydrophobicContact CE1-CD1 4.31Å; F56-L61 HydrophobicContact CE1-CD2 4.22Å; F56-L61 HydrophobicContact CE1-CG 4.09Å; F56-L61 PolarHBondContact O-N 3.34Å; R57-L61 HydrophobicContact CB-CD1 4.45Å; R57-L61 HydrophobicContact CG-CD1 3.97Å; R57-L61 CarbonylContact O-C 3.56Å; R57-L61 WeakPolarHBondContact O-CA 3.33Å; R57-L61 WeakPolarHBondContact O-CB 3.39Å; R57-L61 PolarHBondContact O-N 3.47Å; L61-K63 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CD2-CD2 3.92Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.92Å; L61-P65 WeakPolarHBondContact O-CD 3.38Å |
| 62 | A | 91.4 | Very high | 93.2 | Very high | 49 Ų | 49 | 98.8 Ų | 98.8 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R57 E58 | R57-A62 PolarHBondContact O-N 3.23Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å |
| 63 | K | 90.6 | Very high | 93.6 | Very high | 150 Ų | 150 | 90.1 Ų | 90.1 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -11.4 | -179.8 | -60.2 | -58.5 | -175.1 | -178.6 | 0 | 113.6 | L61 H66 G67 | L61-K63 PolarHBondContact O-N 3.45Å; K63-H66 PolarHBondContact O-N 3.04Å; K63-G67 PolarHBondContact O-N 3.24Å; K63-G67 VanDerWaalsContact O-N 3.08Å |
| 64 | L | 94.2 | Very high | 94 | Very high | 90 Ų | 90 | 89.5 Ų | 89.5 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -52 | -47.6 | 177.9 | -171.9 | 65 | 0 | 0 | 0 | 114.4 | L61 H66 G67 I68 | L61-L64 HydrophobicContact CD2-CD2 3.92Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 2.92Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.86Å; L64-G67 PolarHBondContact O-N 3.18Å; L64-I68 HydrophobicContact CD1-CD1 4.29Å; L64-I68 HydrophobicContact CD1-CG1 4.44Å; L64-I68 HydrophobicContact CG-CD1 3.93Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.26Å |
| 65 | P | 93.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 88.1 Ų | 88.1 | 49% | 0.494 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -33.3 | -178.4 | 24.3 | -33.8 | 0 | 0 | 0 | 112.9 | L61 I68 A69 | L61-P65 WeakPolarHBondContact O-CD 3.38Å; P65-I68 PolarHBondContact O-N 3.48Å; P65-A69 WeakPolarHBondContact O-CB 3.49Å; P65-A69 PolarHBondContact O-N 3.45Å |
| 66 | H | 93.3 | Very high | 94.5 | Very high | 129 Ų | 129 | 87.6 Ų | 87.6 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 175.8 | -62.2 | 79.9 | 0 | 0 | 0 | 110.9 | K63 L64 A69 L70 | K63-H66 PolarHBondContact O-N 3.04Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.86Å; H66-A69 PolarHBondContact O-N 2.94Å; H66-L70 WeakPolarHBondContact O-CB 3.41Å; H66-L70 PolarHBondContact O-N 2.83Å |
| 67 | G | 94.4 | Very high | 94.7 | Very high | 45 Ų | 45 | 87.5 Ų | 87.5 | 46% | 0.464 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | K63 L64 L70 G71 | K63-G67 PolarHBondContact O-N 3.24Å; K63-G67 VanDerWaalsContact O-N 3.08Å; L64-G67 PolarHBondContact O-N 3.18Å; G67-L70 PolarHBondContact O-N 3.19Å; G67-G71 PolarHBondContact O-N 3.19Å |
| 68 | I | 97 | Very high | 94.9 | Very high | 93 Ų | 93 | 84.6 Ų | 84.6 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175.9 | -67.8 | 169.2 | 0 | 0 | 0 | 110.7 | L64 P65 L70 G71 I72 | L64-I68 HydrophobicContact CD1-CD1 4.29Å; L64-I68 HydrophobicContact CD1-CG1 4.44Å; L64-I68 HydrophobicContact CG-CD1 3.93Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.26Å; P65-I68 PolarHBondContact O-N 3.48Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.18Å; I68-G71 PolarHBondContact O-N 3.09Å; I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 HydrophobicContact CG2-CG1 4.42Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 3.22Å |
| 69 | A | 96.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P65 H66 I72 A73 | P65-A69 WeakPolarHBondContact O-CB 3.49Å; P65-A69 PolarHBondContact O-N 3.45Å; H66-A69 PolarHBondContact O-N 2.94Å; A69-I72 PolarHBondContact O-N 3.19Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.07Å |
| 70 | L | 97.7 | Very high | 95.4 | Very high | 116 Ų | 116 | 86.2 Ų | 86.2 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 175.4 | -177.1 | 65 | 0 | 0 | 0 | 111.5 | H66 G67 I68 I72 A73 V74 | H66-L70 WeakPolarHBondContact O-CB 3.41Å; H66-L70 PolarHBondContact O-N 2.83Å; G67-L70 PolarHBondContact O-N 3.19Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-L70 PolarHBondContact O-N 3.18Å; L70-I72 PolarHBondContact O-N 3.25Å; L70-A73 PolarHBondContact O-N 3.13Å; L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CG-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CB 3.07Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.38Å; L70-V74 PolarHBondContact O-N 2.95Å |
| 71 | G | 97.7 | Very high | 95.7 | Very high | 35 Ų | 35 | 87 Ų | 87 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G67 I68 S75 | G67-G71 PolarHBondContact O-N 3.19Å; I68-G71 PolarHBondContact O-N 3.09Å; G71-S75 WeakPolarHBondContact O-CB 3.5Å; G71-S75 PolarHBondContact O-N 3.31Å; G71-S75 PolarHBondContact O-OG 3.37Å |
| 72 | I | 98.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 86.6 Ų | 86.6 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 174.9 | -66.9 | 168.1 | 0 | 0 | 0 | 110.4 | I68 A69 L70 V74 S75 I76 | I68-I72 HydrophobicContact CG2-CD1 3.8Å; I68-I72 HydrophobicContact CG2-CG1 4.42Å; I68-I72 WeakPolarHBondContact O-CG1 3.42Å; I68-I72 PolarHBondContact O-N 3.22Å; A69-I72 PolarHBondContact O-N 3.19Å; L70-I72 PolarHBondContact O-N 3.25Å; I72-V74 PolarHBondContact O-N 3.49Å; I72-S75 PolarHBondContact O-N 3.17Å; I72-I76 HydrophobicContact CG2-CD1 3.86Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 WeakPolarHBondContact O-CG1 3.34Å; I72-I76 PolarHBondContact O-N 2.6Å |
| 73 | A | 97.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 93.4 Ų | 93.4 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A69 L70 S75 I76 L77 | A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.07Å; L70-A73 PolarHBondContact O-N 3.13Å; A73-S75 PolarHBondContact O-N 3.09Å; A73-I76 PolarHBondContact O-N 3.3Å; A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.36Å |
| 74 | V | 98 | Very high | 95.7 | Very high | 65 Ų | 65 | 95 Ų | 95 | 39% | 0.394 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L70 I72 I76 L77 I78 | L70-V74 HydrophobicContact CD1-CG2 4.25Å; L70-V74 HydrophobicContact CG-CG2 4.4Å; L70-V74 WeakPolarHBondContact O-CB 3.07Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.38Å; L70-V74 PolarHBondContact O-N 2.95Å; I72-V74 PolarHBondContact O-N 3.49Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 2.83Å; V74-L77 PolarHBondContact O-N 3.12Å; V74-I78 HydrophobicContact CG1-CD1 3.61Å; V74-I78 HydrophobicContact CG1-CG1 4.23Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 3.21Å |
| 75 | S | 97.7 | Very high | 95.6 | Very high | 64 Ų | 64 | 94.8 Ų | 94.8 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | G71 I72 A73 N79 | G71-S75 WeakPolarHBondContact O-CB 3.5Å; G71-S75 PolarHBondContact O-N 3.31Å; G71-S75 PolarHBondContact O-OG 3.37Å; I72-S75 PolarHBondContact O-N 3.17Å; A73-S75 PolarHBondContact O-N 3.09Å; S75-N79 WeakPolarHBondContact O-CB 3.44Å; S75-N79 VanDerWaalsContact O-CG 3.23Å; S75-N79 PolarHBondContact O-N 3.22Å; S75-N79 PolarHBondContact O-ND2 3.25Å |
| 76 | I | 97.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.2 | -66.8 | 168 | 0 | 0 | 0 | 110.5 | I72 A73 V74 N79 Q80 | I72-I76 HydrophobicContact CG2-CD1 3.86Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 WeakPolarHBondContact O-CG1 3.34Å; I72-I76 PolarHBondContact O-N 2.6Å; A73-I76 PolarHBondContact O-N 3.3Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 PolarHBondContact O-N 2.83Å; I76-N79 PolarHBondContact O-N 3.06Å; I76-Q80 HydrophobicContact CG2-CG 4.33Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.48Å; I76-Q80 PolarHBondContact O-N 3.06Å |
| 77 | L | 97.1 | Very high | 94.9 | Very high | 109 Ų | 109 | 92.9 Ų | 92.9 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 179.1 | -71.8 | 171 | 0 | 0 | 0 | 112.1 | A73 V74 Q80 F81 | A73-L77 VanDerWaalsContact O-CG 3.32Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.36Å; V74-L77 PolarHBondContact O-N 3.12Å; L77-Q80 PolarHBondContact O-N 3.38Å; L77-F81 VanDerWaalsContact O-CB 3.29Å; L77-F81 WeakPolarHBondContact O-CB 3.35Å; L77-F81 PolarHBondContact O-N 2.83Å |
| 78 | I | 96.7 | Very high | 93.9 | Very high | 104 Ų | 104 | 92.7 Ų | 92.7 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 176.9 | -68.7 | 169.1 | 0 | 0 | 0 | 110.2 | V74 Q80 F81 D82 | V74-I78 HydrophobicContact CG1-CD1 3.61Å; V74-I78 HydrophobicContact CG1-CG1 4.23Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 3.21Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.15Å; I78-F81 PolarHBondContact O-N 3.14Å; I78-D82 WeakPolarHBondContact O-CB 3.39Å; I78-D82 PolarHBondContact O-N 3.01Å |
| 79 | N | 96.1 | Very high | 92.3 | Very high | 104 Ų | 104 | 91 Ų | 91 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | 178.7 | -74.5 | -22.5 | 0 | 0 | 0 | 112.3 | S75 I76 R83 | S75-N79 WeakPolarHBondContact O-CB 3.44Å; S75-N79 VanDerWaalsContact O-CG 3.23Å; S75-N79 PolarHBondContact O-N 3.22Å; S75-N79 PolarHBondContact O-ND2 3.25Å; I76-N79 PolarHBondContact O-N 3.06Å; N79-R83 VanDerWaalsContact O-CG 3.29Å; N79-R83 WeakPolarHBondContact O-CG 3.4Å; N79-R83 PolarHBondContact O-N 3.16Å |
| 80 | Q | 94.5 | Very high | 90.7 | Very high | 117 Ų | 117 | 91.6 Ų | 91.6 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 176.1 | -74.2 | 179.1 | -6.9 | 0 | 0 | 112 | I76 L77 I78 R83 W84 | I76-Q80 HydrophobicContact CG2-CG 4.33Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.48Å; I76-Q80 PolarHBondContact O-N 3.06Å; L77-Q80 PolarHBondContact O-N 3.38Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.15Å; Q80-R83 PolarHBondContact O-N 3.2Å; Q80-W84 PolarHBondContact O-N 2.84Å |
| 81 | F | 94.9 | Very high | 89 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.3 | -176.5 | -106.9 | 0 | 0 | 0 | 112.1 | L77 I78 R83 W84 L85 | L77-F81 VanDerWaalsContact O-CB 3.29Å; L77-F81 WeakPolarHBondContact O-CB 3.35Å; L77-F81 PolarHBondContact O-N 2.83Å; I78-F81 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.32Å; F81-W84 HydrophobicContact CD2-CE3 4.18Å; F81-W84 HydrophobicContact CE2-CE3 4Å; F81-W84 HydrophobicContact CE2-CZ3 4.01Å; F81-W84 PolarHBondContact O-N 3.24Å; F81-L85 HydrophobicContact CD1-CD1 3.89Å; F81-L85 HydrophobicContact CD1-CG 4.45Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.32Å; F81-L85 HydrophobicContact CZ-CG 4.11Å; F81-L85 PolarHBondContact O-N 3.38Å |
| 82 | D | 93.7 | Very high | 87.3 | Confident | 67 Ų | 67 | 95.9 Ų | 95.9 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.7 | -177.4 | 55.7 | 0 | 0 | 0 | 111.9 | I78 W84 L85 K86 | I78-D82 WeakPolarHBondContact O-CB 3.39Å; I78-D82 PolarHBondContact O-N 3.01Å; D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 PolarHBondContact O-N 2.97Å; D82-L85 PolarHBondContact O-N 3.28Å; D82-K86 WeakPolarHBondContact O-CB 3.43Å; D82-K86 WeakPolarHBondContact O-CG 3.18Å; D82-K86 PolarHBondContact O-N 2.91Å; D82-K86 WeakPolarHBondContact OD1-CE 3.31Å; D82-K86 IonicContact OD1-NZ 3.14Å; D82-K86 VanDerWaalsContact OD2-CE 3.32Å; D82-K86 WeakPolarHBondContact OD2-CE 3.41Å; D82-K86 IonicContact OD2-NZ 3.25Å; D82-K86 PolarHBondContact OD2-NZ 3.37Å |
| 83 | R | 92.1 | Very high | 85.4 | Confident | 193 Ų | 193 | 99.6 Ų | 99.6 | 73% | 0.728 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 173.3 | -75.5 | -179.3 | 67.2 | -172.6 | -0.3 | 112.3 | N79 Q80 F81 G87 | N79-R83 VanDerWaalsContact O-CG 3.29Å; N79-R83 WeakPolarHBondContact O-CG 3.4Å; N79-R83 PolarHBondContact O-N 3.16Å; Q80-R83 PolarHBondContact O-N 3.2Å; F81-R83 VanDerWaalsContact C-N 3.35Å; F81-R83 PolarHBondContact O-N 3.32Å; R83-G87 PolarHBondContact O-N 3.06Å |
| 84 | W | 90.5 | Very high | 83 | Confident | 182 Ų | 182 | 108.6 Ų | 108.6 | 69% | 0.689 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -45.1 | 178 | 178.4 | 74.8 | 0 | 0 | 0 | 112 | Q80 F81 D82 K86 G87 G88 | Q80-W84 PolarHBondContact O-N 2.84Å; F81-W84 HydrophobicContact CD2-CE3 4.18Å; F81-W84 HydrophobicContact CE2-CE3 4Å; F81-W84 HydrophobicContact CE2-CZ3 4.01Å; F81-W84 PolarHBondContact O-N 3.24Å; D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 PolarHBondContact O-N 2.97Å; W84-K86 PolarHBondContact O-N 3.43Å; W84-G87 PolarHBondContact O-N 2.99Å; W84-G88 PolarHBondContact O-N 3.37Å; W84-G88 VanDerWaalsContact O-N 3.14Å |
| 85 | L | 92.1 | Very high | 82.2 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 45% | 0.45 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 175.4 | -74.2 | 178.1 | 0 | 0 | 0 | 112.5 | F81 D82 G88 S89 | F81-L85 HydrophobicContact CD1-CD1 3.89Å; F81-L85 HydrophobicContact CD1-CG 4.45Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.32Å; F81-L85 HydrophobicContact CZ-CG 4.11Å; F81-L85 PolarHBondContact O-N 3.38Å; D82-L85 PolarHBondContact O-N 3.28Å; L85-G88 PolarHBondContact O-N 3.45Å; L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 VanDerWaalsContact O-N 3.16Å |
| 86 | K | 89 | Confident | 81.4 | Confident | 131 Ų | 131 | 113.3 Ų | 113.3 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -36.6 | 177.4 | -75.4 | 172.3 | 179 | 164.7 | 0 | 112.7 | D82 W84 S89 S90 | D82-K86 WeakPolarHBondContact O-CB 3.43Å; D82-K86 WeakPolarHBondContact O-CG 3.18Å; D82-K86 PolarHBondContact O-N 2.91Å; D82-K86 WeakPolarHBondContact OD1-CE 3.31Å; D82-K86 IonicContact OD1-NZ 3.14Å; D82-K86 VanDerWaalsContact OD2-CE 3.32Å; D82-K86 WeakPolarHBondContact OD2-CE 3.41Å; D82-K86 IonicContact OD2-NZ 3.25Å; D82-K86 PolarHBondContact OD2-NZ 3.37Å; W84-K86 PolarHBondContact O-N 3.43Å; K86-S89 PolarHBondContact O-N 2.91Å; K86-S90 PolarHBondContact O-N 2.92Å |
| 87 | G | 84 | Confident | 80.5 | Confident | 34 Ų | 34 | 114.9 Ų | 114.9 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R83 W84 S89 S90 E91 | R83-G87 PolarHBondContact O-N 3.06Å; W84-G87 PolarHBondContact O-N 2.99Å; G87-S89 VanDerWaalsContact C-N 3.31Å; G87-S89 PolarHBondContact O-N 3.27Å; G87-S90 PolarHBondContact O-N 3.46Å; G87-S90 PolarHBondContact O-OG 3.24Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; G87-E91 PolarHBondContact O-N 3Å |
| 88 | G | 73.6 | Confident | 79.5 | Confident | 41 Ų | 41 | 115.3 Ų | 115.3 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -32.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W84 L85 A92 | W84-G88 PolarHBondContact O-N 3.37Å; W84-G88 VanDerWaalsContact O-N 3.14Å; L85-G88 PolarHBondContact O-N 3.45Å; G88-A92 PolarHBondContact O-N 2.85Å |
| 89 | S | 63.2 | Low | 78.4 | Confident | 59 Ų | 59 | 116 Ų | 116 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.8 | -23.2 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 114 | L85 K86 G87 K93 | L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 VanDerWaalsContact O-N 3.16Å; K86-S89 PolarHBondContact O-N 2.91Å; G87-S89 VanDerWaalsContact C-N 3.31Å; G87-S89 PolarHBondContact O-N 3.27Å; S89-K93 WeakPolarHBondContact O-CG 3.32Å |
| 90 | S | 61.8 | Low | 77.3 | Confident | 71 Ų | 71 | 116.8 Ų | 116.8 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.9 | -34.8 | 175.1 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | K86 G87 A92 K93 | K86-S90 PolarHBondContact O-N 2.92Å; G87-S90 PolarHBondContact O-N 3.46Å; G87-S90 PolarHBondContact O-OG 3.24Å; G87-S90 VanDerWaalsContact O-OG 3.09Å; S90-A92 VanDerWaalsContact C-N 3.35Å; S90-K93 PolarHBondContact O-N 3.46Å |
| 91 | E | 61.7 | Low | 76 | Confident | 158 Ų | 158 | 116.8 Ų | 116.8 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.9 | -33.5 | 175.3 | -70.6 | -177.1 | 170.9 | 0 | 0 | 112.2 | G87 K93 | G87-E91 PolarHBondContact O-N 3Å; E91-K93 PolarHBondContact O-N 3.04Å |
| 92 | A | 62.1 | Low | 74.6 | Confident | 84 Ų | 84 | 116.5 Ų | 116.5 | 69% | 0.694 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -6.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G88 S90 | G88-A92 PolarHBondContact O-N 2.85Å; S90-A92 VanDerWaalsContact C-N 3.35Å |
| 93 | K | 59.8 | Low | 73 | Confident | 173 Ų | 173 | 120.7 Ų | 120.7 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -0.5 | -177.5 | -74.3 | -176 | 179.3 | -177.7 | 0 | 114.2 | S89 S90 E91 | S89-K93 WeakPolarHBondContact O-CG 3.32Å; S90-K93 PolarHBondContact O-N 3.46Å; E91-K93 PolarHBondContact O-N 3.04Å |
| 94 | H | 45.9 | Very low | 71.3 | Confident | 236 Ų | 236 | 114.1 Ų | 114.1 | 100% | 1.093 | 61% | 0.606 | S | S | * | * | trans | -108.4 | 0 | 172.3 | -90.3 | -71.5 | 0 | 0 | 0 | 110.5 |
Retrieved 94 of 94 residues in 64.1 ms
(Link to these results)