| 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 | 40.8 | Very low | 51.9 | Low | 229 Ų | 229 | 111.7 Ų | 111.7 | 100% | 1.128 | 62% | 0.621 | S | S | * | * | 0 | 1 | 0 | -77.9 | -175.5 | 70.8 | 0 | 0 | 114.1 | |||||
| 2 | V | 45.3 | Very low | 53.2 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | trans | -92.6 | -16.8 | -176 | -175.6 | 0 | 0 | 0 | 0 | 113.3 | S5 | V2-S5 PolarHBondContact O-OG 3.34Š| ||
| 3 | E | 42.5 | Very low | 54.9 | Low | 178 Ų | 178 | 115 Ų | 115 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.6 | -22.3 | -175.7 | -66.8 | 178.3 | 164.2 | 0 | 0 | 114.4 | S7 | E3-S7 PolarHBondContact O-OG 3.11Å |
| 4 | A | 49.3 | Very low | 56 | Low | 65 Ų | 65 | 115.6 Ų | 115.6 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -78.9 | -24.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S7 | A4-S7 PolarHBondContact O-OG 2.9Å; A4-S7 VanDerWaalsContact O-OG 3.12Å |
| 5 | S | 48.1 | Very low | 57.4 | Low | 70 Ų | 70 | 115.4 Ų | 115.4 | 49% | 0.49 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -77 | -35.5 | -179.2 | 34 | 0 | 0 | 0 | 0 | 112.9 | V2 S7 L8 | V2-S5 PolarHBondContact O-OG 3.34Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.3Å; S5-L8 PolarHBondContact O-N 3.22Å |
| 6 | C | 44.3 | Very low | 58.7 | Low | 73 Ų | 73 | 116.4 Ų | 116.4 | 49% | 0.493 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -37.4 | 179.2 | -157.9 | 0 | 0 | 0 | 0 | 111.7 | L8 E10 | C6-L8 PolarHBondContact O-N 3.37Å; C6-E10 WeakPolarHBondContact O-CG 3.15Å; C6-E10 PolarHBondContact O-N 3.47Å; C6-E10 PolarHBondContact SG-OE1 3Å |
| 7 | S | 57.8 | Low | 59.8 | Low | 58 Ų | 58 | 113.5 Ų | 113.5 | 41% | 0.406 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.8 | -29.2 | -179.1 | 31.1 | 0 | 0 | 0 | 0 | 113.5 | E3 A4 S5 T11 | E3-S7 PolarHBondContact O-OG 3.11Å; A4-S7 PolarHBondContact O-OG 2.9Å; A4-S7 VanDerWaalsContact O-OG 3.12Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.3Å; S7-T11 WeakPolarHBondContact O-CB 3.43Å; S7-T11 WeakPolarHBondContact O-CG2 3.4Å; S7-T11 PolarHBondContact O-N 3.11Å; S7-T11 PolarHBondContact O-OG1 3.32Å |
| 8 | L | 59 | Low | 60.8 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.8 | -33.3 | 178.7 | -70 | 176.9 | 0 | 0 | 0 | 113.5 | S5 C6 T11 R12 | S5-L8 PolarHBondContact O-N 3.22Å; C6-L8 PolarHBondContact O-N 3.37Å; L8-T11 WeakPolarHBondContact CA-OG1 3.35Å; L8-T11 PolarHBondContact O-OG1 3Å; L8-R12 WeakPolarHBondContact O-CG 3.28Å; L8-R12 PolarHBondContact O-N 3.41Å |
| 9 | E | 60.1 | Low | 61.8 | Low | 143 Ų | 143 | 108.7 Ų | 108.7 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.3 | -44.9 | 176.4 | -68.2 | -171.4 | 161.7 | 0 | 0 | 110.8 | T11 R12 D13 | E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.02Å; E9-R12 PolarHBondContact O-N 3.48Å; E9-D13 PolarHBondContact O-N 3.32Å |
| 10 | E | 60.1 | Low | 62.7 | Low | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 177.2 | -71.1 | 174.8 | -162.4 | 0 | 0 | 112.8 | C6 R14 | C6-E10 WeakPolarHBondContact O-CG 3.15Å; C6-E10 PolarHBondContact O-N 3.47Å; C6-E10 PolarHBondContact SG-OE1 3Å; E10-R14 WeakPolarHBondContact O-CB 3.3Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.46Å; E10-R14 PolarHBondContact O-N 3.3Å |
| 11 | T | 63.5 | Low | 63.4 | Low | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | S7 L8 E9 D13 R14 E15 | S7-T11 WeakPolarHBondContact O-CB 3.43Å; S7-T11 WeakPolarHBondContact O-CG2 3.4Å; S7-T11 PolarHBondContact O-N 3.11Å; S7-T11 PolarHBondContact O-OG1 3.32Å; L8-T11 WeakPolarHBondContact CA-OG1 3.35Å; L8-T11 PolarHBondContact O-OG1 3Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.02Å; T11-D13 VanDerWaalsContact C-N 3.35Å; T11-D13 PolarHBondContact O-N 3.43Å; T11-R14 PolarHBondContact O-N 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.29Å; T11-E15 PolarHBondContact O-N 3.01Å |
| 12 | R | 68 | Low | 65.2 | Low | 177 Ų | 177 | 91 Ų | 91 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 176.3 | -79 | -176.2 | 176 | -163.2 | -0.9 | 112.6 | L8 E9 E15 K16 | L8-R12 WeakPolarHBondContact O-CG 3.28Å; L8-R12 PolarHBondContact O-N 3.41Å; E9-R12 PolarHBondContact O-N 3.48Å; R12-E15 PolarHBondContact O-N 3.5Å; R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 3.22Å; R12-K16 VanDerWaalsContact O-N 3.13Å |
| 13 | D | 74.5 | Confident | 66.8 | Low | 89 Ų | 89 | 89.1 Ų | 89.1 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 179.2 | -75 | -17.3 | 0 | 0 | 0 | 111.6 | E9 T11 E15 K16 M17 | E9-D13 PolarHBondContact O-N 3.32Å; T11-D13 VanDerWaalsContact C-N 3.35Å; T11-D13 PolarHBondContact O-N 3.43Å; D13-E15 VanDerWaalsContact C-N 3.35Å; D13-E15 PolarHBondContact O-N 3.03Å; D13-K16 PolarHBondContact O-N 2.62Å; D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.92Å |
| 14 | R | 71.2 | Confident | 68.6 | Low | 123 Ų | 123 | 84.5 Ų | 84.5 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 171.9 | -74.9 | 176.5 | -175.6 | -135.5 | 1.2 | 112.5 | E10 T11 M17 L18 L78 | E10-R14 WeakPolarHBondContact O-CB 3.3Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.46Å; E10-R14 PolarHBondContact O-N 3.3Å; T11-R14 PolarHBondContact O-N 3.36Å; R14-M17 PolarHBondContact O-N 3.38Å; R14-L18 WeakPolarHBondContact O-CB 3.39Å; R14-L18 PolarHBondContact O-N 3.36Å; R14-L78 HydrophobicContact CB-CD2 4.22Å; R14-L78 HydrophobicContact CG-CD2 4.46Å; R14-L78 WeakPolarHBondContact O-CD2 3.46Å |
| 15 | E | 76.2 | Confident | 69.9 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.1 | -76.7 | -174.4 | 157.8 | 0 | 0 | 112 | T11 R12 D13 M17 L18 E19 | T11-E15 WeakPolarHBondContact O-CG 3.29Å; T11-E15 PolarHBondContact O-N 3.01Å; R12-E15 PolarHBondContact O-N 3.5Å; D13-E15 VanDerWaalsContact C-N 3.35Å; D13-E15 PolarHBondContact O-N 3.03Å; E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 3.37Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3Å; E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.15Å |
| 16 | K | 78.9 | Confident | 71.2 | Confident | 132 Ų | 132 | 78.2 Ų | 78.2 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 175.8 | -70.8 | 174 | -175.9 | 168.4 | 0 | 112.5 | R12 D13 L18 E19 S20 | R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 3.22Å; R12-K16 VanDerWaalsContact O-N 3.13Å; D13-K16 PolarHBondContact O-N 2.62Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-E19 PolarHBondContact O-N 3.12Å; K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 2.93Å |
| 17 | M | 77.5 | Confident | 72.7 | Confident | 67 Ų | 67 | 80.9 Ų | 80.9 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.3 | -73.7 | -177.7 | 67.6 | 0 | 0 | 111.3 | D13 R14 E15 S20 M21 N74 L78 | D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.92Å; R14-M17 PolarHBondContact O-N 3.38Å; E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 3.37Å; M17-S20 PolarHBondContact O-N 2.97Å; M17-M21 PolarHBondContact O-N 3.02Å; M17-N74 HydrophobicContact CE-CB 4.35Å; M17-N74 VanDerWaalsContact CE-O 3.26Å; M17-N74 WeakPolarHBondContact CE-O 3.19Å; M17-L78 HydrophobicContact CB-CD1 4.1Å; M17-L78 HydrophobicContact CB-CD2 4.15Å; M17-L78 HydrophobicContact CB-CG 4.46Å |
| 18 | L | 77.8 | Confident | 73.4 | Confident | 28 Ų | 28 | 80.2 Ų | 80.2 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.1 | -173.5 | 160.3 | 0 | 0 | 0 | 110.6 | R14 E15 K16 S20 M21 L22 Y56 L78 | R14-L18 WeakPolarHBondContact O-CB 3.39Å; R14-L18 PolarHBondContact O-N 3.36Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3Å; K16-L18 VanDerWaalsContact C-N 3.34Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 2.97Å; L18-M21 WeakPolarHBondContact O-CB 3.47Å; L18-M21 PolarHBondContact O-N 3.31Å; L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.81Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.87Å; L18-Y56 HydrophobicContact CD1-CD1 3.96Å; L18-Y56 HydrophobicContact CD1-CE1 3.58Å; L18-L78 HydrophobicContact CB-CD1 4.19Å; L18-L78 HydrophobicContact CB-CD2 4.39Å |
| 19 | E | 78.4 | Confident | 73.5 | Confident | 107 Ų | 107 | 80.7 Ų | 80.7 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 176.1 | -73.5 | 179.7 | 175.2 | 0 | 0 | 112.1 | E15 K16 L22 N23 | E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.15Å; K16-E19 PolarHBondContact O-N 3.12Å; E19-L22 PolarHBondContact O-N 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.31Å; E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.19Å; E19-N23 PolarHBondContact O-ND2 2.87Å |
| 20 | S | 80.6 | Confident | 73.7 | Confident | 67 Ų | 67 | 77.7 Ų | 77.7 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.6 | -175 | 0 | 0 | 0 | 0 | 112.4 | K16 M17 L18 R24 | K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 2.93Å; M17-S20 PolarHBondContact O-N 2.97Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 2.97Å; S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.33Å; S20-R24 VanDerWaalsContact O-N 3.07Å |
| 21 | M | 77.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 174.6 | -179.6 | -146.4 | -76.3 | 0 | 0 | 111.2 | M17 L18 N23 R24 I25 F63 L71 D75 L78 F79 | M17-M21 PolarHBondContact O-N 3.02Å; L18-M21 WeakPolarHBondContact O-CB 3.47Å; L18-M21 PolarHBondContact O-N 3.31Å; M21-N23 PolarHBondContact O-N 2.83Å; M21-R24 PolarHBondContact O-N 2.89Å; M21-I25 HydrophobicContact CG-CD1 3.85Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.22Å; M21-I25 HydrophobicContact SD-CD1 4.15Å; M21-F63 HydrophobicContact SD-CE1 4.07Å; M21-F63 HydrophobicContact SD-CZ 4.06Å; M21-L71 HydrophobicContact CE-CD2 3.89Å; M21-L71 HydrophobicContact CG-CD2 3.82Å; M21-L71 HydrophobicContact SD-CD2 3.69Å; M21-D75 HydrophobicContact CE-CB 3.5Å; M21-D75 VanDerWaalsContact CE-CB 3.5Å; M21-D75 HydrophobicContact CG-CB 4.15Å; M21-L78 HydrophobicContact CB-CD1 4.46Å; M21-L78 HydrophobicContact CE-CB 4.01Å; M21-L78 HydrophobicContact CE-CD1 3.33Å; M21-L78 HydrophobicContact CE-CG 4.26Å; M21-F79 HydrophobicContact CE-CD2 4.47Å; M21-F79 HydrophobicContact CE-CE2 3.62Å; M21-F79 HydrophobicContact CE-CZ 4.03Å; M21-F79 HydrophobicContact SD-CZ 4.45Å |
| 22 | L | 78.3 | Confident | 73.9 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | -177.7 | -67.2 | -168.9 | 0 | 0 | 0 | 111.9 | L18 E19 R24 I25 A26 L49 L52 R53 F63 | L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.81Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.87Å; E19-L22 PolarHBondContact O-N 3.45Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.94Å; L22-I25 PolarHBondContact O-N 2.9Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-L49 HydrophobicContact CB-CD2 3.74Å; L22-L49 WeakPolarHBondContact O-CD2 3.44Å; L22-L52 HydrophobicContact CB-CD1 4.46Å; L22-L52 HydrophobicContact CD2-CB 3.7Å; L22-L52 HydrophobicContact CD2-CD1 4.07Å; L22-R53 HydrophobicContact CD1-CB 4.05Å; L22-F63 HydrophobicContact CD2-CE2 4.19Å; L22-F63 HydrophobicContact CD2-CZ 4.16Å |
| 23 | N | 79.4 | Confident | 73.8 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.6 | -76.1 | -35.9 | 0 | 0 | 0 | 111.7 | E19 M21 A26 D27 L49 | E19-N23 VanDerWaalsContact O-CB 3.31Å; E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.19Å; E19-N23 PolarHBondContact O-ND2 2.87Å; M21-N23 PolarHBondContact O-N 2.83Å; N23-A26 PolarHBondContact O-N 3.07Å; N23-D27 WeakPolarHBondContact O-CB 3.37Å; N23-D27 PolarHBondContact O-N 3.22Å; N23-L49 WeakPolarHBondContact OD1-CD1 3.33Å; N23-L49 WeakPolarHBondContact OD1-CD2 3.46Å |
| 24 | R | 80.8 | Confident | 73.4 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.5 | -176.8 | 171.4 | 55 | -107 | -14.6 | 112.4 | S20 M21 L22 A26 D27 T28 T72 D75 | S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.33Å; S20-R24 VanDerWaalsContact O-N 3.07Å; M21-R24 PolarHBondContact O-N 2.89Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.94Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-D27 PolarHBondContact O-N 3.15Å; R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 VanDerWaalsContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.05Å; R24-T72 PolarHBondContact NH2-OG1 2.67Å; R24-D75 IonicContact CZ-OD1 4Å; R24-D75 IonicContact CZ-OD2 3.21Å; R24-D75 IonicContact NH2-OD1 2.64Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å; R24-D75 IonicContact NH2-OD2 3.89Å; R24-D75 PolarHBondContact NH2-OD2 3.19Å |
| 25 | I | 75.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 177 | -63.7 | 167.3 | 0 | 0 | 0 | 110.6 | M21 L22 T28 L52 F63 Y67 M70 L71 | M21-I25 HydrophobicContact CG-CD1 3.85Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.22Å; M21-I25 HydrophobicContact SD-CD1 4.15Å; L22-I25 PolarHBondContact O-N 2.9Å; I25-T28 PolarHBondContact O-N 2.71Å; I25-L52 HydrophobicContact CB-CD1 4.02Å; I25-L52 HydrophobicContact CG2-CD1 3.84Å; I25-L52 HydrophobicContact CG2-CD2 4.03Å; I25-F63 HydrophobicContact CD1-CE1 4.02Å; I25-F63 HydrophobicContact CD1-CE2 4.46Å; I25-F63 HydrophobicContact CD1-CZ 3.47Å; I25-F63 VanDerWaalsContact CD1-CZ 3.47Å; I25-Y67 HydrophobicContact CG2-CD1 3.79Å; I25-Y67 HydrophobicContact CG2-CE1 4.14Å; I25-Y67 HydrophobicContact CG2-CG 4.19Å; I25-M70 HydrophobicContact CG1-CB 4.25Å; I25-M70 HydrophobicContact CG2-SD 4.17Å; I25-L71 HydrophobicContact CD1-CD2 4.11Å |
| 26 | A | 75.3 | Confident | 72.3 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.3 | -29.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L22 N23 R24 L45 R48 L49 L52 | L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.3Å; N23-A26 PolarHBondContact O-N 3.07Å; R24-A26 VanDerWaalsContact C-N 3.34Å; A26-L45 HydrophobicContact CB-CD2 4.38Å; A26-R48 PolarHBondContact O-NH1 3.43Å; A26-R48 VanDerWaalsContact O-NH1 3.07Å; A26-R48 PolarHBondContact O-NH2 2.9Å; A26-L49 HydrophobicContact CB-CD2 3.71Å; A26-L49 HydrophobicContact CB-CG 4.2Å; A26-L52 HydrophobicContact CB-CD1 4.44Å |
| 27 | D | 75.9 | Confident | 71.5 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 70% | 0.695 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -83.2 | -17.2 | 176 | -156.7 | 29.7 | 0 | 0 | 0 | 112.5 | N23 R24 P29 | N23-D27 WeakPolarHBondContact O-CB 3.37Å; N23-D27 PolarHBondContact O-N 3.22Å; R24-D27 PolarHBondContact O-N 3.15Å; D27-P29 VanDerWaalsContact O-CD 3.32Å; D27-P29 WeakPolarHBondContact O-CD 3.46Å |
| 28 | T | 72.8 | Confident | 70.4 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.27 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -68.2 | 120.2 | -178.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | R24 I25 G30 M70 | R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 VanDerWaalsContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.05Å; I25-T28 PolarHBondContact O-N 2.71Å; T28-G30 PolarHBondContact O-N 3.43Å; T28-M70 HydrophobicContact CG2-CG 4.26Å; T28-M70 HydrophobicContact CG2-SD 3.8Å |
| 29 | P | 62.1 | Low | 69.3 | Low | 126 Ų | 126 | 81.8 Ų | 81.8 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 127.2 | 179.6 | 26.5 | -31 | 0 | 0 | 0 | 110.5 | D27 | D27-P29 VanDerWaalsContact O-CD 3.32Å; D27-P29 WeakPolarHBondContact O-CD 3.46Å |
| 30 | G | 64.4 | Low | 68.5 | Low | 80 Ų | 80 | 80.6 Ų | 80.6 | 83% | 0.825 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.5 | -0.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T28 Y32 | T28-G30 PolarHBondContact O-N 3.43Å; G30-Y32 PolarHBondContact O-N 3.18Å |
| 31 | A | 61.4 | Low | 67.5 | Low | 13 Ų | 13 | 82.7 Ų | 82.7 | 11% | 0.107 | 44% | 0.436 | C | S | . | . | trans | -63.6 | 127.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F33 Y67 M70 | A31-F33 HydrophobicContact CB-CD2 4.44Å; A31-F33 HydrophobicContact CB-CE1 4.38Å; A31-F33 HydrophobicContact CB-CE2 3.41Å; A31-F33 VanDerWaalsContact CB-CE2 3.41Å; A31-F33 HydrophobicContact CB-CZ 3.37Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 2.95Å; A31-Y67 HydrophobicContact CB-CE1 4.35Å; A31-M70 HydrophobicContact CB-CE 3.85Å; A31-M70 HydrophobicContact CB-SD 3.92Å | ||
| 32 | Y | 65.5 | Low | 66.8 | Low | 121 Ų | 121 | 89.7 Ų | 89.7 | 48% | 0.475 | 47% | 0.473 | S | S | . | . | trans | -89.1 | 120.8 | 176.8 | 173.1 | -89.5 | 0 | 0 | 0 | 109.4 | G30 K34 S35 Y67 | G30-Y32 PolarHBondContact O-N 3.18Å; Y32-K34 WeakPolarHBondContact CE2-O 3.11Å; Y32-S35 WeakPolarHBondContact OH-CA 3.49Å; Y32-S35 WeakPolarHBondContact OH-CB 3.37Å; Y32-S35 PolarHBondContact OH-N 3.34Å; Y32-S35 PolarHBondContact OH-OG 3.49Å; Y32-Y67 PolarHBondContact O-OH 3.18Å | ||
| 33 | F | 66.3 | Low | 66.1 | Low | 17 Ų | 17 | 91 Ų | 91 | 8% | 0.075 | 48% | 0.48 | C | S | . | . | trans | -107 | -38.5 | -179 | -59.3 | -89.4 | 0 | 0 | 0 | 112.1 | A31 L43 R48 L52 | A31-F33 HydrophobicContact CB-CD2 4.44Å; A31-F33 HydrophobicContact CB-CE1 4.38Å; A31-F33 HydrophobicContact CB-CE2 3.41Å; A31-F33 VanDerWaalsContact CB-CE2 3.41Å; A31-F33 HydrophobicContact CB-CZ 3.37Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 2.95Å; F33-L43 HydrophobicContact CB-CD1 3.99Å; F33-R48 HydrophobicContact CD1-CB 4.07Å; F33-R48 HydrophobicContact CD1-CG 4.3Å; F33-R48 HydrophobicContact CD2-CG 4.18Å; F33-R48 HydrophobicContact CE1-CB 4.07Å; F33-R48 HydrophobicContact CE1-CG 4.47Å; F33-R48 HydrophobicContact CE2-CG 4.41Å; F33-R48 HydrophobicContact CG-CB 4.43Å; F33-R48 HydrophobicContact CG-CG 4.16Å; F33-R48 HydrophobicContact CZ-CB 4.47Å; F33-R48 VanDerWaalsContact CZ-NE 3.26Å; F33-L52 HydrophobicContact CD1-CD2 3.93Å; F33-L52 HydrophobicContact CD1-CG 4Å; F33-L52 HydrophobicContact CE1-CD1 3.85Å; F33-L52 HydrophobicContact CE1-CD2 3.74Å; F33-L52 HydrophobicContact CE1-CG 3.75Å | ||
| 34 | K | 64.9 | Low | 65.7 | Low | 114 Ų | 114 | 90.5 Ų | 90.5 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -157.1 | 150 | -177.5 | -171.4 | -178.6 | 175.7 | -165.3 | 0 | 109.5 | Y32 Q36 L43 | Y32-K34 WeakPolarHBondContact CE2-O 3.11Å; K34-Q36 PolarHBondContact O-N 3.4Å; K34-L43 HydrophobicContact CB-CD1 4.39Å |
| 35 | S | 62.1 | Low | 65 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | trans | -66.5 | 99.9 | 166.1 | -75.7 | 0 | 0 | 0 | 0 | 109.1 | Y32 | Y32-S35 WeakPolarHBondContact OH-CA 3.49Å; Y32-S35 WeakPolarHBondContact OH-CB 3.37Å; Y32-S35 PolarHBondContact OH-N 3.34Å; Y32-S35 PolarHBondContact OH-OG 3.49Å | ||
| 36 | Q | 63.2 | Low | 64.8 | Low | 81 Ų | 81 | 99 Ų | 99 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 135.8 | 171.5 | -64.7 | -176.3 | -70.5 | 0 | 0 | 109.9 | K34 E40 P41 L43 | K34-Q36 PolarHBondContact O-N 3.4Å; Q36-E40 VanDerWaalsContact CA-OE2 3.28Å; Q36-E40 WeakPolarHBondContact CA-OE2 3.25Å; Q36-E40 HydrophobicContact CB-CB 4.3Å; Q36-P41 PolarHBondContact NE2-O 3.22Å; Q36-L43 HydrophobicContact CG-CD1 4.43Å |
| 37 | Q | 61.7 | Low | 64.9 | Low | 152 Ų | 152 | 103.4 Ų | 103.4 | 71% | 0.71 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 159.3 | 173.4 | -63.1 | -169.3 | 4.6 | 0 | 0 | 110.5 | N39 E40 | Q37-N39 PolarHBondContact O-N 3.01Å; Q37-N39 VanDerWaalsContact O-N 3.11Å; Q37-E40 HydrophobicContact CB-CG 4.46Å; Q37-E40 PolarHBondContact O-N 3.4Å; Q37-E40 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 54.2 | Low | 64.8 | Low | 235 Ų | 235 | 99.5 Ų | 99.5 | 89% | 0.887 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 121.3 | 167.8 | -71.7 | 180 | 174.3 | 173.2 | -1.7 | 107.5 | ||
| 39 | N | 55.2 | Low | 64.9 | Low | 168 Ų | 168 | 99.4 Ų | 99.4 | 90% | 0.898 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | 7.5 | -179 | -41 | -37.6 | 0 | 0 | 0 | 117 | Q37 | Q37-N39 PolarHBondContact O-N 3.01Å; Q37-N39 VanDerWaalsContact O-N 3.11Å |
| 40 | E | 62.5 | Low | 65.6 | Low | 82 Ų | 82 | 98.4 Ų | 98.4 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 140.8 | 163.4 | -75.3 | -171.8 | 164.2 | 0 | 0 | 110.4 | Q36 Q37 | Q36-E40 VanDerWaalsContact CA-OE2 3.28Å; Q36-E40 WeakPolarHBondContact CA-OE2 3.25Å; Q36-E40 HydrophobicContact CB-CB 4.3Å; Q37-E40 HydrophobicContact CB-CG 4.46Å; Q37-E40 PolarHBondContact O-N 3.4Å; Q37-E40 VanDerWaalsContact O-N 3.11Å |
| 41 | P | 59.2 | Low | 66.3 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 72% | 0.721 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 148.9 | 174.3 | 27.2 | -33.5 | 0 | 0 | 0 | 110.7 | Q36 L43 | Q36-P41 PolarHBondContact NE2-O 3.22Å; P41-L43 PolarHBondContact O-N 3.32Å |
| 42 | D | 62.4 | Low | 67.2 | Low | 147 Ų | 147 | 96.1 Ų | 96.1 | 79% | 0.786 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 130.3 | 172.9 | -65.9 | -37.5 | 0 | 0 | 0 | 109.5 | T44 | D42-T44 PolarHBondContact O-N 3.48Š|
| 43 | L | 63.3 | Low | 67.8 | Low | 36 Ų | 36 | 95.3 Ų | 95.3 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 130.6 | 179 | -74.1 | 154 | 0 | 0 | 0 | 109.3 | F33 K34 Q36 P41 E47 R48 I51 | F33-L43 HydrophobicContact CB-CD1 3.99Å; K34-L43 HydrophobicContact CB-CD1 4.39Å; Q36-L43 HydrophobicContact CG-CD1 4.43Å; P41-L43 PolarHBondContact O-N 3.32Å; L43-E47 HydrophobicContact CD2-CB 4.15Å; L43-R48 HydrophobicContact CB-CG 3.68Å; L43-R48 HydrophobicContact CD1-CG 4.5Å; L43-I51 HydrophobicContact CD1-CD1 4.43Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å |
| 44 | T | 71.5 | Confident | 68.5 | Low | 73 Ų | 73 | 98 Ų | 98 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 153.7 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 110.2 | D42 E46 E47 R48 | D42-T44 PolarHBondContact O-N 3.48Å; T44-E46 PolarHBondContact O-N 3.05Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.15Å; T44-E47 WeakPolarHBondContact OG1-CB 3.45Å; T44-E47 WeakPolarHBondContact OG1-CG 3.47Å; T44-E47 PolarHBondContact OG1-N 3.02Å; T44-E47 PolarHBondContact OG1-OE2 3.06Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 3.13Å |
| 45 | L | 66.3 | Low | 69.2 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.6 | -38.7 | 177 | -79.9 | 167.4 | 0 | 0 | 0 | 111.5 | A26 R48 L49 | A26-L45 HydrophobicContact CB-CD2 4.38Å; L45-R48 PolarHBondContact O-N 3.46Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.38Å |
| 46 | E | 71.3 | Confident | 69.9 | Low | 160 Ų | 160 | 91.5 Ų | 91.5 | 75% | 0.748 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 178.2 | -62.4 | -176.4 | -177.8 | 0 | 0 | 112.5 | T44 R48 L49 L50 | T44-E46 PolarHBondContact O-N 3.05Å; E46-R48 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 2.8Å; E46-L50 PolarHBondContact O-N 3.07Å |
| 47 | E | 76.9 | Confident | 70.6 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.2 | -72.6 | 166.6 | 152.9 | 0 | 0 | 111.8 | L43 T44 L50 I51 | L43-E47 HydrophobicContact CD2-CB 4.15Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.15Å; T44-E47 WeakPolarHBondContact OG1-CB 3.45Å; T44-E47 WeakPolarHBondContact OG1-CG 3.47Å; T44-E47 PolarHBondContact OG1-N 3.02Å; T44-E47 PolarHBondContact OG1-OE2 3.06Å; E47-L50 PolarHBondContact O-N 2.92Å; E47-I51 VanDerWaalsContact O-CG1 3.3Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.28Å |
| 48 | R | 74.1 | Confident | 71.5 | Confident | 47 Ų | 47 | 92.6 Ų | 92.6 | 18% | 0.177 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 175.7 | -67.9 | 170.6 | 71.8 | -176.7 | -1 | 110.9 | A26 F33 L43 T44 L45 E46 L50 I51 L52 | A26-R48 PolarHBondContact O-NH1 3.43Å; A26-R48 VanDerWaalsContact O-NH1 3.07Å; A26-R48 PolarHBondContact O-NH2 2.9Å; F33-R48 HydrophobicContact CD1-CB 4.07Å; F33-R48 HydrophobicContact CD1-CG 4.3Å; F33-R48 HydrophobicContact CD2-CG 4.18Å; F33-R48 HydrophobicContact CE1-CB 4.07Å; F33-R48 HydrophobicContact CE1-CG 4.47Å; F33-R48 HydrophobicContact CE2-CG 4.41Å; F33-R48 HydrophobicContact CG-CB 4.43Å; F33-R48 HydrophobicContact CG-CG 4.16Å; F33-R48 HydrophobicContact CZ-CB 4.47Å; F33-R48 VanDerWaalsContact CZ-NE 3.26Å; L43-R48 HydrophobicContact CB-CG 3.68Å; L43-R48 HydrophobicContact CD1-CG 4.5Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 3.13Å; L45-R48 PolarHBondContact O-N 3.46Å; E46-R48 PolarHBondContact O-N 3.32Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.33Å; R48-I51 PolarHBondContact O-N 2.92Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.04Å |
| 49 | L | 74.5 | Confident | 72.8 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 23% | 0.225 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.3 | -69.5 | 172.2 | 0 | 0 | 0 | 112.1 | L22 N23 A26 L45 E46 L52 R53 | L22-L49 HydrophobicContact CB-CD2 3.74Å; L22-L49 WeakPolarHBondContact O-CD2 3.44Å; N23-L49 WeakPolarHBondContact OD1-CD1 3.33Å; N23-L49 WeakPolarHBondContact OD1-CD2 3.46Å; A26-L49 HydrophobicContact CB-CD2 3.71Å; A26-L49 HydrophobicContact CB-CG 4.2Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.38Å; E46-L49 PolarHBondContact O-N 2.8Å; L49-L52 PolarHBondContact O-N 2.98Å; L49-R53 WeakPolarHBondContact O-CB 3.32Å; L49-R53 PolarHBondContact O-N 3.46Å |
| 50 | L | 78 | Confident | 73.8 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.4 | -176.8 | 63.9 | 0 | 0 | 0 | 111.7 | E46 E47 R48 R53 N54 | E46-L50 PolarHBondContact O-N 3.07Å; E47-L50 PolarHBondContact O-N 2.92Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.33Å; L50-R53 PolarHBondContact O-N 3.47Å; L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 2.9Å; L50-N54 PolarHBondContact O-ND2 3.45Å |
| 51 | I | 78.4 | Confident | 74.3 | Confident | 45 Ų | 45 | 80 Ų | 80 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.5 | -67.3 | 165.3 | 0 | 0 | 0 | 110.4 | L43 E47 R48 R53 N54 L55 | L43-I51 HydrophobicContact CD1-CD1 4.43Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å; E47-I51 VanDerWaalsContact O-CG1 3.3Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.28Å; R48-I51 PolarHBondContact O-N 2.92Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.23Å; I51-N54 PolarHBondContact O-N 3.23Å; I51-L55 HydrophobicContact CG2-CD1 3.98Å; I51-L55 HydrophobicContact CG2-CG 4.35Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 2.92Å |
| 52 | L | 79.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 178.5 | -69.1 | 177 | 0 | 0 | 0 | 112.1 | L22 I25 A26 F33 R48 L49 N54 L55 Y56 F63 Y67 | L22-L52 HydrophobicContact CB-CD1 4.46Å; L22-L52 HydrophobicContact CD2-CB 3.7Å; L22-L52 HydrophobicContact CD2-CD1 4.07Å; I25-L52 HydrophobicContact CB-CD1 4.02Å; I25-L52 HydrophobicContact CG2-CD1 3.84Å; I25-L52 HydrophobicContact CG2-CD2 4.03Å; A26-L52 HydrophobicContact CB-CD1 4.44Å; F33-L52 HydrophobicContact CD1-CD2 3.93Å; F33-L52 HydrophobicContact CD1-CG 4Å; F33-L52 HydrophobicContact CE1-CD1 3.85Å; F33-L52 HydrophobicContact CE1-CD2 3.74Å; F33-L52 HydrophobicContact CE1-CG 3.75Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.04Å; L49-L52 PolarHBondContact O-N 2.98Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.4Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.24Å; L52-F63 HydrophobicContact CB-CE2 4.22Å; L52-F63 HydrophobicContact CD2-CD2 4.47Å; L52-F63 HydrophobicContact CD2-CE2 3.8Å; L52-Y67 HydrophobicContact CD2-CD2 4.26Å; L52-Y67 HydrophobicContact CD2-CE1 4.28Å; L52-Y67 HydrophobicContact CD2-CE2 3.58Å |
| 53 | R | 78.8 | Confident | 75.9 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.8 | -167.8 | 174.9 | -170.6 | 169.7 | 2.6 | 111.8 | L22 L49 L50 I51 K57 | L22-R53 HydrophobicContact CD1-CB 4.05Å; L49-R53 WeakPolarHBondContact O-CB 3.32Å; L49-R53 PolarHBondContact O-N 3.46Å; L50-R53 PolarHBondContact O-N 3.47Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.23Å; R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.36Å |
| 54 | N | 81 | Confident | 76.6 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 175.3 | -66.5 | -17.1 | 0 | 0 | 0 | 110.7 | L50 I51 L52 Y56 K57 D58 | L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 2.9Å; L50-N54 PolarHBondContact O-ND2 3.45Å; I51-N54 PolarHBondContact O-N 3.23Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.4Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; N54-Y56 PolarHBondContact O-N 3.32Å; N54-K57 PolarHBondContact O-N 2.97Å; N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.31Å; N54-D58 PolarHBondContact O-N 2.84Å |
| 55 | L | 78.8 | Confident | 76.7 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.1 | -74 | 175.2 | 0 | 0 | 0 | 112.7 | I51 L52 R59 F63 Y67 | I51-L55 HydrophobicContact CG2-CD1 3.98Å; I51-L55 HydrophobicContact CG2-CG 4.35Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 2.92Å; L52-L55 PolarHBondContact O-N 2.96Å; L55-R59 CarbonylContact O-C 3.58Å; L55-R59 WeakPolarHBondContact O-CA 3.39Å; L55-R59 PolarHBondContact O-N 3.33Å; L55-R59 VanDerWaalsContact O-O 3.13Å; L55-F63 HydrophobicContact CB-CD2 4.14Å; L55-Y67 HydrophobicContact CD1-CE2 4.33Å |
| 56 | Y | 78.4 | Confident | 77 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.5 | 177.9 | -95.9 | 0 | 0 | 0 | 112.2 | L18 L52 N54 L78 F79 H81 | L18-Y56 HydrophobicContact CD1-CD1 3.96Å; L18-Y56 HydrophobicContact CD1-CE1 3.58Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.24Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; N54-Y56 PolarHBondContact O-N 3.32Å; Y56-L78 PolarHBondContact OH-O 3.46Å; Y56-F79 AromaticContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CZ 4.11Å; Y56-F79 AromaticContact CE2-CD1 3.94Å; Y56-F79 HydrophobicContact CE2-CD1 3.94Å; Y56-F79 AromaticContact CE2-CE1 3.49Å; Y56-F79 HydrophobicContact CE2-CE1 3.49Å; Y56-F79 VanDerWaalsContact CE2-CE1 3.49Å; Y56-F79 AromaticContact CE2-CZ 3.9Å; Y56-F79 HydrophobicContact CE2-CZ 3.9Å; Y56-H81 AromaticContact CZ-CE1 3.47Å; Y56-H81 VanDerWaalsContact CZ-CE1 3.47Å; Y56-H81 PolarHBondContact OH-CE1 3.37Å |
| 57 | K | 76.9 | Confident | 77.1 | Confident | 135 Ų | 135 | 61.3 Ų | 61.3 | 59% | 0.587 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -75.3 | -43.1 | 179.9 | -72.4 | -179.2 | 177 | -174.1 | 0 | 113.1 | R53 N54 | R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 2.97Å |
| 58 | D | 80.4 | Confident | 76.9 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -85.7 | -38.9 | -170.6 | -61.2 | -25.4 | 0 | 0 | 0 | 112 | N54 | N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.31Å; N54-D58 PolarHBondContact O-N 2.84Å |
| 59 | R | 80.8 | Confident | 76.8 | Confident | 185 Ų | 185 | 66 Ų | 66 | 70% | 0.698 | 32% | 0.317 | S | S | * | . | trans | -144.4 | 68.2 | -171.5 | -69.8 | -78.7 | 174.3 | 81 | -1.3 | 111.3 | L55 C61 G62 F63 | L55-R59 CarbonylContact O-C 3.58Å; L55-R59 WeakPolarHBondContact O-CA 3.39Å; L55-R59 PolarHBondContact O-N 3.33Å; L55-R59 VanDerWaalsContact O-O 3.13Å; R59-C61 VanDerWaalsContact C-N 3.32Å; R59-C61 PolarHBondContact O-N 3.23Å; R59-G62 PolarHBondContact O-N 3.35Å; R59-G62 VanDerWaalsContact O-N 3.07Å; R59-F63 PolarHBondContact O-N 3.46Å | ||
| 60 | P | 76.9 | Confident | 76.7 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -37.2 | -178.6 | 21.2 | -32.5 | 0 | 0 | 0 | 113.8 | G62 F63 L64 V82 | P60-G62 VanDerWaalsContact C-N 3.35Å; P60-G62 PolarHBondContact O-N 2.9Å; P60-F63 WeakPolarHBondContact O-CB 3.49Å; P60-F63 PolarHBondContact O-N 3.4Å; P60-L64 PolarHBondContact O-N 3.01Å; P60-V82 HydrophobicContact CB-CB 4.49Å; P60-V82 HydrophobicContact CB-CG1 3.9Å; P60-V82 HydrophobicContact CB-CG2 3.73Å; P60-V82 HydrophobicContact CG-CG1 3.62Å; P60-V82 HydrophobicContact CG-CG2 4.08Å |
| 61 | C | 72.9 | Confident | 76.5 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.095 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | R59 F63 L64 S65 E87 | R59-C61 VanDerWaalsContact C-N 3.32Å; R59-C61 PolarHBondContact O-N 3.23Å; C61-F63 VanDerWaalsContact C-N 3.3Å; C61-F63 PolarHBondContact O-N 3.47Å; C61-L64 PolarHBondContact O-N 2.91Å; C61-S65 WeakPolarHBondContact O-CB 3.24Å; C61-S65 PolarHBondContact O-N 3.07Å; C61-E87 HydrophobicContact CB-CB 4.07Å; C61-E87 WeakPolarHBondContact CB-OE2 3.45Å |
| 62 | G | 76.2 | Confident | 76.2 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R59 P60 R66 | R59-G62 PolarHBondContact O-N 3.35Å; R59-G62 VanDerWaalsContact O-N 3.07Å; P60-G62 VanDerWaalsContact C-N 3.35Å; P60-G62 PolarHBondContact O-N 2.9Å; G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.31Å; G62-R66 PolarHBondContact O-N 3.39Å |
| 63 | F | 79.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -50.9 | 170.8 | -177 | -81.8 | 0 | 0 | 0 | 111.2 | M21 L22 I25 L52 L55 R59 P60 C61 S65 R66 Y67 L71 F79 | M21-F63 HydrophobicContact SD-CE1 4.07Å; M21-F63 HydrophobicContact SD-CZ 4.06Å; L22-F63 HydrophobicContact CD2-CE2 4.19Å; L22-F63 HydrophobicContact CD2-CZ 4.16Å; I25-F63 HydrophobicContact CD1-CE1 4.02Å; I25-F63 HydrophobicContact CD1-CE2 4.46Å; I25-F63 HydrophobicContact CD1-CZ 3.47Å; I25-F63 VanDerWaalsContact CD1-CZ 3.47Å; L52-F63 HydrophobicContact CB-CE2 4.22Å; L52-F63 HydrophobicContact CD2-CD2 4.47Å; L52-F63 HydrophobicContact CD2-CE2 3.8Å; L55-F63 HydrophobicContact CB-CD2 4.14Å; R59-F63 PolarHBondContact O-N 3.46Å; P60-F63 WeakPolarHBondContact O-CB 3.49Å; P60-F63 PolarHBondContact O-N 3.4Å; C61-F63 VanDerWaalsContact C-N 3.3Å; C61-F63 PolarHBondContact O-N 3.47Å; F63-S65 PolarHBondContact O-N 3.37Å; F63-R66 PolarHBondContact O-N 2.75Å; F63-Y67 HydrophobicContact CD1-CD2 4.23Å; F63-Y67 AromaticContact CD2-CD2 3.68Å; F63-Y67 HydrophobicContact CD2-CD2 3.68Å; F63-Y67 AromaticContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CE1-CD2 4.3Å; F63-Y67 AromaticContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CE2 4.13Å; F63-Y67 AromaticContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CZ-CD2 4.12Å; F63-Y67 VanDerWaalsContact O-CD2 3.3Å; F63-Y67 WeakPolarHBondContact O-CD2 3.42Å; F63-Y67 PolarHBondContact O-N 3.12Å; F63-L71 HydrophobicContact CE1-CD2 4.28Å; F63-F79 HydrophobicContact CD1-CE1 4.01Å; F63-F79 AromaticContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CE1-CE1 4.46Å; F63-F79 AromaticContact CE1-CZ 3.73Å; F63-F79 HydrophobicContact CE1-CZ 3.73Å |
| 64 | L | 76.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 177.5 | -83.3 | 152.9 | 0 | 0 | 0 | 111.3 | P60 C61 R66 Y67 E68 L71 F79 A88 F91 L92 | P60-L64 PolarHBondContact O-N 3.01Å; C61-L64 PolarHBondContact O-N 2.91Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 3.33Å; L64-Y67 PolarHBondContact O-N 3.44Å; L64-E68 WeakPolarHBondContact O-CA 3.46Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 PolarHBondContact O-N 3.44Å; L64-L71 HydrophobicContact CD2-CD1 3.92Å; L64-F79 HydrophobicContact CD1-CD1 3.69Å; L64-F79 HydrophobicContact CD1-CE1 4Å; L64-F79 HydrophobicContact CD1-CG 4.2Å; L64-F79 HydrophobicContact CD2-CD1 4.26Å; L64-F79 HydrophobicContact CD2-CD2 4.2Å; L64-F79 HydrophobicContact CD2-CE1 4.23Å; L64-F79 HydrophobicContact CD2-CE2 4.15Å; L64-F79 HydrophobicContact CD2-CG 4.25Å; L64-F79 HydrophobicContact CD2-CZ 4.18Å; L64-F79 HydrophobicContact CG-CD1 3.95Å; L64-F79 HydrophobicContact CG-CE1 3.79Å; L64-F79 HydrophobicContact CG-CG 4.43Å; L64-F79 HydrophobicContact CG-CZ 4.13Å; L64-A88 HydrophobicContact CD1-CB 4.01Å; L64-F91 HydrophobicContact CB-CB 4.02Å; L64-F91 HydrophobicContact CB-CD2 4.27Å; L64-F91 HydrophobicContact CB-CG 4.34Å; L64-F91 HydrophobicContact CD2-CB 4.49Å; L64-L92 HydrophobicContact CD1-CG 4.44Å; L64-L92 HydrophobicContact CD2-CD2 3.74Å; L64-L92 HydrophobicContact CD2-CG 4.27Å |
| 65 | S | 74.2 | Confident | 74.9 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -34 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 113.9 | C61 F63 F91 | C61-S65 WeakPolarHBondContact O-CB 3.24Å; C61-S65 PolarHBondContact O-N 3.07Å; F63-S65 PolarHBondContact O-N 3.37Å; S65-F91 VanDerWaalsContact CB-CZ 3.46Å |
| 66 | R | 72.7 | Confident | 74.5 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -87.7 | -34.5 | -177.2 | -70.4 | 179.3 | -177.3 | -171.2 | 1.6 | 113.4 | G62 F63 L64 | G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.31Å; G62-R66 PolarHBondContact O-N 3.39Å; F63-R66 PolarHBondContact O-N 2.75Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 3.33Å |
| 67 | Y | 74.6 | Confident | 74.2 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -114.9 | 11.1 | -171.2 | -54.1 | -67.6 | 0 | 0 | 0 | 113.1 | I25 A31 Y32 L52 L55 F63 L64 Q69 M70 L71 | I25-Y67 HydrophobicContact CG2-CD1 3.79Å; I25-Y67 HydrophobicContact CG2-CE1 4.14Å; I25-Y67 HydrophobicContact CG2-CG 4.19Å; A31-Y67 HydrophobicContact CB-CE1 4.35Å; Y32-Y67 PolarHBondContact O-OH 3.18Å; L52-Y67 HydrophobicContact CD2-CD2 4.26Å; L52-Y67 HydrophobicContact CD2-CE1 4.28Å; L52-Y67 HydrophobicContact CD2-CE2 3.58Å; L55-Y67 HydrophobicContact CD1-CE2 4.33Å; F63-Y67 HydrophobicContact CD1-CD2 4.23Å; F63-Y67 AromaticContact CD2-CD2 3.68Å; F63-Y67 HydrophobicContact CD2-CD2 3.68Å; F63-Y67 AromaticContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CE1-CD2 4.3Å; F63-Y67 AromaticContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CE2 4.13Å; F63-Y67 AromaticContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CZ-CD2 4.12Å; F63-Y67 VanDerWaalsContact O-CD2 3.3Å; F63-Y67 WeakPolarHBondContact O-CD2 3.42Å; F63-Y67 PolarHBondContact O-N 3.12Å; L64-Y67 PolarHBondContact O-N 3.44Å; Y67-Q69 PolarHBondContact O-N 3.44Å; Y67-Q69 VanDerWaalsContact O-N 3.07Å; Y67-M70 HydrophobicContact CD1-CE 3.66Å; Y67-M70 HydrophobicContact CD1-SD 4.12Å; Y67-M70 HydrophobicContact CE1-CE 4.3Å; Y67-M70 PolarHBondContact O-N 3.25Å; Y67-L71 PolarHBondContact O-N 3.36Å |
| 68 | E | 71.5 | Confident | 73.9 | Confident | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -48.9 | -39.2 | -178.9 | 55.5 | 169.4 | -153.6 | 0 | 0 | 113.1 | L64 M70 L71 F91 | L64-E68 WeakPolarHBondContact O-CA 3.46Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 PolarHBondContact O-N 3.44Å; E68-M70 VanDerWaalsContact C-N 3.3Å; E68-M70 PolarHBondContact O-N 2.99Å; E68-L71 PolarHBondContact O-N 3.38Å; E68-F91 WeakPolarHBondContact OE2-CD1 3.03Å |
| 69 | Q | 72.6 | Confident | 73.5 | Confident | 179 Ų | 179 | 50.3 Ų | 50.3 | 84% | 0.836 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -75 | -19.9 | -176.8 | -57.1 | -172.3 | -11.5 | 0 | 0 | 113.1 | Y67 | Y67-Q69 PolarHBondContact O-N 3.44Å; Y67-Q69 VanDerWaalsContact O-N 3.07Å |
| 70 | M | 71.5 | Confident | 73 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -96.7 | -6.2 | -177.9 | -56.5 | -177.8 | -135.6 | 0 | 0 | 112.4 | I25 T28 A31 Y67 E68 | I25-M70 HydrophobicContact CG1-CB 4.25Å; I25-M70 HydrophobicContact CG2-SD 4.17Å; T28-M70 HydrophobicContact CG2-CG 4.26Å; T28-M70 HydrophobicContact CG2-SD 3.8Å; A31-M70 HydrophobicContact CB-CE 3.85Å; A31-M70 HydrophobicContact CB-SD 3.92Å; Y67-M70 HydrophobicContact CD1-CE 3.66Å; Y67-M70 HydrophobicContact CD1-SD 4.12Å; Y67-M70 HydrophobicContact CE1-CE 4.3Å; Y67-M70 PolarHBondContact O-N 3.25Å; E68-M70 VanDerWaalsContact C-N 3.3Å; E68-M70 PolarHBondContact O-N 2.99Å |
| 71 | L | 75.1 | Confident | 72.8 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | trans | -83.8 | 140.3 | 179.6 | -70.1 | 170.3 | 0 | 0 | 0 | 111.2 | M21 I25 F63 L64 Y67 E68 D75 F79 | M21-L71 HydrophobicContact CE-CD2 3.89Å; M21-L71 HydrophobicContact CG-CD2 3.82Å; M21-L71 HydrophobicContact SD-CD2 3.69Å; I25-L71 HydrophobicContact CD1-CD2 4.11Å; F63-L71 HydrophobicContact CE1-CD2 4.28Å; L64-L71 HydrophobicContact CD2-CD1 3.92Å; Y67-L71 PolarHBondContact O-N 3.36Å; E68-L71 PolarHBondContact O-N 3.38Å; L71-D75 HydrophobicContact CD2-CB 3.87Å; L71-F79 HydrophobicContact CD1-CE2 3.86Å; L71-F79 HydrophobicContact CD1-CZ 4.16Å; L71-F79 HydrophobicContact CD2-CE2 4.09Å; L71-F79 HydrophobicContact CD2-CZ 4.47Å | ||
| 72 | T | 71.3 | Confident | 72.6 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | trans | -100.1 | 164.3 | 175.2 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | R24 N74 D75 L76 | R24-T72 PolarHBondContact NH2-OG1 2.67Å; T72-N74 PolarHBondContact O-N 3.48Å; T72-D75 WeakPolarHBondContact CA-OD2 3.34Å; T72-D75 WeakPolarHBondContact CB-OD2 3.26Å; T72-D75 PolarHBondContact N-OD2 2.86Å; T72-D75 VanDerWaalsContact O-CB 3.3Å; T72-D75 WeakPolarHBondContact O-CB 3.46Å; T72-D75 PolarHBondContact O-N 2.92Å; T72-D75 PolarHBondContact OG1-OD1 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.31Å; T72-L76 PolarHBondContact O-N 3.37Å | ||
| 73 | A | 68.2 | Low | 72.2 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D75 L76 V99 F103 | A73-D75 VanDerWaalsContact C-N 3.3Å; A73-D75 PolarHBondContact O-N 3.41Å; A73-L76 PolarHBondContact O-N 3.21Å; A73-V99 HydrophobicContact CB-CG1 3.68Å; A73-V99 HydrophobicContact CB-CG2 4Å; A73-F103 HydrophobicContact CB-CE2 3.88Å; A73-F103 HydrophobicContact CB-CZ 4.44Å |
| 74 | N | 69.7 | Low | 71.5 | Confident | 110 Ų | 110 | 56.1 Ų | 56.1 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.9 | -180 | -63.7 | -28.9 | 0 | 0 | 0 | 112.3 | M17 T72 L76 | M17-N74 HydrophobicContact CE-CB 4.35Å; M17-N74 VanDerWaalsContact CE-O 3.26Å; M17-N74 WeakPolarHBondContact CE-O 3.19Å; T72-N74 PolarHBondContact O-N 3.48Å; N74-L76 VanDerWaalsContact C-N 3.31Å |
| 75 | D | 73.4 | Confident | 71.2 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.032 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -73.2 | -27.3 | -179.7 | -58.6 | -32.9 | 0 | 0 | 0 | 112.3 | M21 R24 L71 T72 A73 L77 L78 F79 | M21-D75 HydrophobicContact CE-CB 3.5Å; M21-D75 VanDerWaalsContact CE-CB 3.5Å; M21-D75 HydrophobicContact CG-CB 4.15Å; R24-D75 IonicContact CZ-OD1 4Å; R24-D75 IonicContact CZ-OD2 3.21Å; R24-D75 IonicContact NH2-OD1 2.64Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å; R24-D75 IonicContact NH2-OD2 3.89Å; R24-D75 PolarHBondContact NH2-OD2 3.19Å; L71-D75 HydrophobicContact CD2-CB 3.87Å; T72-D75 WeakPolarHBondContact CA-OD2 3.34Å; T72-D75 WeakPolarHBondContact CB-OD2 3.26Å; T72-D75 PolarHBondContact N-OD2 2.86Å; T72-D75 VanDerWaalsContact O-CB 3.3Å; T72-D75 WeakPolarHBondContact O-CB 3.46Å; T72-D75 PolarHBondContact O-N 2.92Å; T72-D75 PolarHBondContact OG1-OD1 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.31Å; A73-D75 VanDerWaalsContact C-N 3.3Å; A73-D75 PolarHBondContact O-N 3.41Å; D75-L77 PolarHBondContact O-N 3.4Å; D75-L78 WeakPolarHBondContact O-CB 2.93Å; D75-L78 PolarHBondContact O-N 2.98Å; D75-F79 WeakPolarHBondContact O-CD2 3.48Å |
| 76 | L | 70.4 | Confident | 71.1 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -60.3 | -27.5 | -179.4 | -60.6 | 177.4 | 0 | 0 | 0 | 111.9 | T72 A73 N74 L78 F79 L92 C95 Y96 V99 | T72-L76 PolarHBondContact O-N 3.37Å; A73-L76 PolarHBondContact O-N 3.21Å; N74-L76 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.35Å; L76-F79 PolarHBondContact O-N 3.17Å; L76-L92 HydrophobicContact CD2-CD2 3.85Å; L76-C95 HydrophobicContact CD1-CB 3.97Å; L76-C95 HydrophobicContact CD2-CB 3.71Å; L76-Y96 HydrophobicContact CB-CE1 4.33Å; L76-Y96 HydrophobicContact CD1-CD1 3.96Å; L76-Y96 HydrophobicContact CD1-CE1 3.81Å; L76-Y96 HydrophobicContact CD1-CG 4.36Å; L76-V99 HydrophobicContact CD1-CG2 4.21Å |
| 77 | L | 71.7 | Confident | 71 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.8 | 175.8 | -60.8 | 173.1 | 0 | 0 | 0 | 112.7 | D75 F79 D80 | D75-L77 PolarHBondContact O-N 3.4Å; L77-F79 PolarHBondContact O-N 3.32Å; L77-D80 WeakPolarHBondContact O-CB 3.3Å; L77-D80 PolarHBondContact O-N 3.36Å |
| 78 | L | 71.7 | Confident | 70.7 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -69.7 | -27.8 | 178.2 | -68 | 165.6 | 0 | 0 | 0 | 111.3 | R14 M17 L18 M21 Y56 D75 L76 D80 H81 | R14-L78 HydrophobicContact CB-CD2 4.22Å; R14-L78 HydrophobicContact CG-CD2 4.46Å; R14-L78 WeakPolarHBondContact O-CD2 3.46Å; M17-L78 HydrophobicContact CB-CD1 4.1Å; M17-L78 HydrophobicContact CB-CD2 4.15Å; M17-L78 HydrophobicContact CB-CG 4.46Å; L18-L78 HydrophobicContact CB-CD1 4.19Å; L18-L78 HydrophobicContact CB-CD2 4.39Å; M21-L78 HydrophobicContact CB-CD1 4.46Å; M21-L78 HydrophobicContact CE-CB 4.01Å; M21-L78 HydrophobicContact CE-CD1 3.33Å; M21-L78 HydrophobicContact CE-CG 4.26Å; Y56-L78 PolarHBondContact OH-O 3.46Å; D75-L78 WeakPolarHBondContact O-CB 2.93Å; D75-L78 PolarHBondContact O-N 2.98Å; L76-L78 PolarHBondContact O-N 3.35Å; L78-D80 PolarHBondContact O-N 2.75Å; L78-H81 PolarHBondContact O-CE1 3.48Å; L78-H81 PolarHBondContact O-ND1 3.19Å |
| 79 | F | 72.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -83.7 | 10 | 179.4 | -61.7 | -80.8 | 0 | 0 | 0 | 114.1 | M21 Y56 F63 L64 L71 D75 L76 L77 H81 V82 R83 L92 | M21-F79 HydrophobicContact CE-CD2 4.47Å; M21-F79 HydrophobicContact CE-CE2 3.62Å; M21-F79 HydrophobicContact CE-CZ 4.03Å; M21-F79 HydrophobicContact SD-CZ 4.45Å; Y56-F79 AromaticContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CZ 4.11Å; Y56-F79 AromaticContact CE2-CD1 3.94Å; Y56-F79 HydrophobicContact CE2-CD1 3.94Å; Y56-F79 AromaticContact CE2-CE1 3.49Å; Y56-F79 HydrophobicContact CE2-CE1 3.49Å; Y56-F79 VanDerWaalsContact CE2-CE1 3.49Å; Y56-F79 AromaticContact CE2-CZ 3.9Å; Y56-F79 HydrophobicContact CE2-CZ 3.9Å; F63-F79 HydrophobicContact CD1-CE1 4.01Å; F63-F79 AromaticContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CE1-CE1 4.46Å; F63-F79 AromaticContact CE1-CZ 3.73Å; F63-F79 HydrophobicContact CE1-CZ 3.73Å; L64-F79 HydrophobicContact CD1-CD1 3.69Å; L64-F79 HydrophobicContact CD1-CE1 4Å; L64-F79 HydrophobicContact CD1-CG 4.2Å; L64-F79 HydrophobicContact CD2-CD1 4.26Å; L64-F79 HydrophobicContact CD2-CD2 4.2Å; L64-F79 HydrophobicContact CD2-CE1 4.23Å; L64-F79 HydrophobicContact CD2-CE2 4.15Å; L64-F79 HydrophobicContact CD2-CG 4.25Å; L64-F79 HydrophobicContact CD2-CZ 4.18Å; L64-F79 HydrophobicContact CG-CD1 3.95Å; L64-F79 HydrophobicContact CG-CE1 3.79Å; L64-F79 HydrophobicContact CG-CG 4.43Å; L64-F79 HydrophobicContact CG-CZ 4.13Å; L71-F79 HydrophobicContact CD1-CE2 3.86Å; L71-F79 HydrophobicContact CD1-CZ 4.16Å; L71-F79 HydrophobicContact CD2-CE2 4.09Å; L71-F79 HydrophobicContact CD2-CZ 4.47Å; D75-F79 WeakPolarHBondContact O-CD2 3.48Å; L76-F79 PolarHBondContact O-N 3.17Å; L77-F79 PolarHBondContact O-N 3.32Å; F79-H81 PolarHBondContact O-N 3.38Å; F79-H81 VanDerWaalsContact O-N 3.11Å; F79-V82 HydrophobicContact CB-CG2 4.25Å; F79-V82 HydrophobicContact CD1-CG2 4.06Å; F79-V82 PolarHBondContact O-N 2.91Å; F79-R83 PolarHBondContact O-N 2.54Å; F79-L92 HydrophobicContact CB-CD1 4.14Å; F79-L92 HydrophobicContact CB-CD2 3.85Å; F79-L92 HydrophobicContact CD2-CD2 4.29Å; F79-L92 HydrophobicContact CG-CD2 4.24Å |
| 80 | D | 70.7 | Confident | 70.6 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -57.6 | -28.4 | 176.5 | -75.4 | -15.7 | 0 | 0 | 0 | 112.7 | L77 L78 V82 R83 | L77-D80 WeakPolarHBondContact O-CB 3.3Å; L77-D80 PolarHBondContact O-N 3.36Å; L78-D80 PolarHBondContact O-N 2.75Å; D80-V82 VanDerWaalsContact C-N 3.27Å; D80-V82 PolarHBondContact O-N 3.07Å; D80-R83 PolarHBondContact O-N 2.69Å; D80-R83 IonicContact OD1-CZ 2.75Å; D80-R83 IonicContact OD1-NE 3.91Å; D80-R83 PolarHBondContact OD1-NE 2.72Å; D80-R83 IonicContact OD1-NH2 3.79Å; D80-R83 PolarHBondContact OD1-NH2 2.84Å |
| 81 | H | 72.1 | Confident | 70.4 | Confident | 112 Ų | 112 | 63 Ų | 63 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -72.8 | -14.9 | 176.2 | 71 | -73.2 | 0 | 0 | 0 | 114.4 | Y56 L78 F79 | Y56-H81 AromaticContact CZ-CE1 3.47Å; Y56-H81 VanDerWaalsContact CZ-CE1 3.47Å; Y56-H81 PolarHBondContact OH-CE1 3.37Å; L78-H81 PolarHBondContact O-CE1 3.48Å; L78-H81 PolarHBondContact O-ND1 3.19Å; F79-H81 PolarHBondContact O-N 3.38Å; F79-H81 VanDerWaalsContact O-N 3.11Å |
| 82 | V | 68.9 | Low | 70.3 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -104.4 | -6.2 | -179.9 | -144.6 | 0 | 0 | 0 | 0 | 111.8 | P60 F79 D80 G84 M85 A88 | P60-V82 HydrophobicContact CB-CB 4.49Å; P60-V82 HydrophobicContact CB-CG1 3.9Å; P60-V82 HydrophobicContact CB-CG2 3.73Å; P60-V82 HydrophobicContact CG-CG1 3.62Å; P60-V82 HydrophobicContact CG-CG2 4.08Å; F79-V82 HydrophobicContact CB-CG2 4.25Å; F79-V82 HydrophobicContact CD1-CG2 4.06Å; F79-V82 PolarHBondContact O-N 2.91Å; D80-V82 VanDerWaalsContact C-N 3.27Å; D80-V82 PolarHBondContact O-N 3.07Å; V82-G84 PolarHBondContact O-N 3.44Å; V82-M85 HydrophobicContact CG1-CG 4.24Å; V82-M85 HydrophobicContact CG1-SD 4.49Å; V82-M85 PolarHBondContact O-N 3.17Å; V82-A88 HydrophobicContact CB-CB 4.07Å; V82-A88 HydrophobicContact CG1-CB 3.75Å |
| 83 | R | 66.4 | Low | 70.1 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.1 | 175.8 | -75.9 | -178.5 | -178 | -135 | 0.6 | 109.9 | F79 D80 D89 L92 Y96 | F79-R83 PolarHBondContact O-N 2.54Å; D80-R83 PolarHBondContact O-N 2.69Å; D80-R83 IonicContact OD1-CZ 2.75Å; D80-R83 IonicContact OD1-NE 3.91Å; D80-R83 PolarHBondContact OD1-NE 2.72Å; D80-R83 IonicContact OD1-NH2 3.79Å; D80-R83 PolarHBondContact OD1-NH2 2.84Å; R83-D89 WeakPolarHBondContact CA-OD1 3.33Å; R83-L92 HydrophobicContact CG-CD1 4.23Å; R83-Y96 PolarHBondContact NH2-OH 3.41Å |
| 84 | G | 65.5 | Low | 70 | Confident | 63 Ų | 63 | 66 Ų | 66 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.1 | -14.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V82 D89 | V82-G84 PolarHBondContact O-N 3.44Å; G84-D89 PolarHBondContact N-OD1 3Å; G84-D89 PolarHBondContact N-OD2 3.36Å |
| 85 | M | 71 | Confident | 69.6 | Low | 114 Ų | 114 | 61.5 Ų | 61.5 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | trans | -78.8 | 124.4 | 164.8 | -58 | -142.6 | 84.6 | 0 | 0 | 109 | V82 E87 A88 D89 | V82-M85 HydrophobicContact CG1-CG 4.24Å; V82-M85 HydrophobicContact CG1-SD 4.49Å; V82-M85 PolarHBondContact O-N 3.17Å; M85-E87 VanDerWaalsContact C-N 3.29Å; M85-E87 PolarHBondContact O-N 2.81Å; M85-A88 HydrophobicContact CB-CB 4.11Å; M85-A88 PolarHBondContact O-N 2.98Å; M85-D89 PolarHBondContact O-N 3.32Å | ||
| 86 | Y | 70.7 | Confident | 69.2 | Low | 190 Ų | 190 | 63.1 Ų | 63.1 | 75% | 0.745 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -50.3 | -45.9 | -176 | 174.7 | -99.3 | 0 | 0 | 0 | 113.3 | F90 | Y86-F90 WeakPolarHBondContact O-CB 3.21Å; Y86-F90 PolarHBondContact O-N 2.95Å |
| 87 | E | 71.8 | Confident | 68.6 | Low | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 178.6 | -63.7 | 175.4 | 161.8 | 0 | 0 | 111.8 | C61 M85 F90 F91 | C61-E87 HydrophobicContact CB-CB 4.07Å; C61-E87 WeakPolarHBondContact CB-OE2 3.45Å; M85-E87 VanDerWaalsContact C-N 3.29Å; M85-E87 PolarHBondContact O-N 2.81Å; E87-F90 WeakPolarHBondContact O-CB 3.42Å; E87-F90 PolarHBondContact O-N 3.19Å; E87-F91 HydrophobicContact CB-CE2 4.46Å; E87-F91 WeakPolarHBondContact O-CD2 3.39Å; E87-F91 PolarHBondContact O-N 3.02Å; E87-F91 VanDerWaalsContact O-N 3.17Å |
| 88 | A | 68.6 | Low | 67.8 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L64 V82 M85 F90 F91 L92 | L64-A88 HydrophobicContact CD1-CB 4.01Å; V82-A88 HydrophobicContact CB-CB 4.07Å; V82-A88 HydrophobicContact CG1-CB 3.75Å; M85-A88 HydrophobicContact CB-CB 4.11Å; M85-A88 PolarHBondContact O-N 2.98Å; A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 2.83Å; A88-F91 PolarHBondContact O-N 2.94Å; A88-L92 VanDerWaalsContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.27Å; A88-L92 PolarHBondContact O-N 3.02Å |
| 89 | D | 69.4 | Low | 66.9 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 177.3 | -81.3 | 7.1 | 0 | 0 | 0 | 111.7 | R83 G84 M85 R93 | R83-D89 WeakPolarHBondContact CA-OD1 3.33Å; G84-D89 PolarHBondContact N-OD1 3Å; G84-D89 PolarHBondContact N-OD2 3.36Å; M85-D89 PolarHBondContact O-N 3.32Å; D89-R93 WeakPolarHBondContact O-CB 3.37Å; D89-R93 PolarHBondContact O-N 2.95Å |
| 90 | F | 72.8 | Confident | 65.9 | Low | 111 Ų | 111 | 70 Ų | 70 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -52.3 | 174 | 176.4 | -94.4 | 0 | 0 | 0 | 111.5 | Y86 E87 A88 R93 S94 | Y86-F90 WeakPolarHBondContact O-CB 3.21Å; Y86-F90 PolarHBondContact O-N 2.95Å; E87-F90 WeakPolarHBondContact O-CB 3.42Å; E87-F90 PolarHBondContact O-N 3.19Å; A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 2.83Å; F90-R93 PolarHBondContact O-N 3.24Å; F90-S94 PolarHBondContact O-N 2.88Å; F90-S94 PolarHBondContact O-OG 2.95Å |
| 91 | F | 67.5 | Low | 65.1 | Low | 35 Ų | 35 | 73.1 Ų | 73.1 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | -179.9 | -64.5 | -63 | 0 | 0 | 0 | 112.3 | L64 S65 E68 E87 A88 R93 S94 C95 | L64-F91 HydrophobicContact CB-CB 4.02Å; L64-F91 HydrophobicContact CB-CD2 4.27Å; L64-F91 HydrophobicContact CB-CG 4.34Å; L64-F91 HydrophobicContact CD2-CB 4.49Å; S65-F91 VanDerWaalsContact CB-CZ 3.46Å; E68-F91 WeakPolarHBondContact OE2-CD1 3.03Å; E87-F91 HydrophobicContact CB-CE2 4.46Å; E87-F91 WeakPolarHBondContact O-CD2 3.39Å; E87-F91 PolarHBondContact O-N 3.02Å; E87-F91 VanDerWaalsContact O-N 3.17Å; A88-F91 PolarHBondContact O-N 2.94Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.35Å; F91-S94 WeakPolarHBondContact O-CB 3.45Å; F91-S94 PolarHBondContact O-N 3.18Å; F91-S94 VanDerWaalsContact O-N 3.12Å; F91-C95 PolarHBondContact O-N 3.27Å; F91-C95 PolarHBondContact O-SG 3.15Å; F91-C95 VanDerWaalsContact O-SG 3.41Å |
| 92 | L | 71 | Confident | 64 | Low | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 175.9 | -71.9 | 175.5 | 0 | 0 | 0 | 110.8 | L64 L76 F79 R83 A88 C95 Y96 | L64-L92 HydrophobicContact CD1-CG 4.44Å; L64-L92 HydrophobicContact CD2-CD2 3.74Å; L64-L92 HydrophobicContact CD2-CG 4.27Å; L76-L92 HydrophobicContact CD2-CD2 3.85Å; F79-L92 HydrophobicContact CB-CD1 4.14Å; F79-L92 HydrophobicContact CB-CD2 3.85Å; F79-L92 HydrophobicContact CD2-CD2 4.29Å; F79-L92 HydrophobicContact CG-CD2 4.24Å; R83-L92 HydrophobicContact CG-CD1 4.23Å; A88-L92 VanDerWaalsContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.27Å; A88-L92 PolarHBondContact O-N 3.02Å; L92-C95 CarbonylContact O-C 3.06Å; L92-C95 PolarHBondContact O-N 3.41Å; L92-Y96 HydrophobicContact CB-CD2 4.29Å; L92-Y96 HydrophobicContact CB-CE2 4.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.39Å |
| 93 | R | 68.1 | Low | 63.2 | Low | 107 Ų | 107 | 79.3 Ų | 79.3 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176.4 | -176.8 | 178.3 | 172.3 | 172 | 8.7 | 112.3 | D89 F90 F91 C95 Y96 S97 K116 | D89-R93 WeakPolarHBondContact O-CB 3.37Å; D89-R93 PolarHBondContact O-N 2.95Å; F90-R93 PolarHBondContact O-N 3.24Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.35Å; R93-C95 VanDerWaalsContact C-N 3.34Å; R93-Y96 PolarHBondContact O-N 3.28Å; R93-S97 VanDerWaalsContact O-CB 3.27Å; R93-S97 WeakPolarHBondContact O-CB 3.4Å; R93-S97 PolarHBondContact O-N 3.47Å; R93-K116 VanDerWaalsContact NH1-NZ 3.14Å |
| 94 | S | 65.7 | Low | 62.4 | Low | 52 Ų | 52 | 84.2 Ų | 84.2 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 171.8 | -64.6 | 0 | 0 | 0 | 0 | 111 | F90 F91 S97 F98 | F90-S94 PolarHBondContact O-N 2.88Å; F90-S94 PolarHBondContact O-OG 2.95Å; F91-S94 WeakPolarHBondContact O-CB 3.45Å; F91-S94 PolarHBondContact O-N 3.18Å; F91-S94 VanDerWaalsContact O-N 3.12Å; S94-S97 PolarHBondContact O-N 3.5Å; S94-F98 PolarHBondContact O-N 2.74Å |
| 95 | C | 62.6 | Low | 61.6 | Low | 15 Ų | 15 | 87.3 Ų | 87.3 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | L76 F91 L92 R93 S97 F98 V99 | L76-C95 HydrophobicContact CD1-CB 3.97Å; L76-C95 HydrophobicContact CD2-CB 3.71Å; F91-C95 PolarHBondContact O-N 3.27Å; F91-C95 PolarHBondContact O-SG 3.15Å; F91-C95 VanDerWaalsContact O-SG 3.41Å; L92-C95 CarbonylContact O-C 3.06Å; L92-C95 PolarHBondContact O-N 3.41Å; R93-C95 VanDerWaalsContact C-N 3.34Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 3.49Å; C95-F98 PolarHBondContact O-N 3.03Å; C95-V99 VanDerWaalsContact O-CB 3.29Å; C95-V99 WeakPolarHBondContact O-CB 3.49Å; C95-V99 WeakPolarHBondContact O-CG2 3.28Å; C95-V99 PolarHBondContact O-N 3.42Å |
| 96 | Y | 63.8 | Low | 60.5 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 15% | 0.153 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.4 | -79.8 | -61.3 | 0 | 0 | 0 | 111 | L76 R83 L92 R93 F98 V99 L100 | L76-Y96 HydrophobicContact CB-CE1 4.33Å; L76-Y96 HydrophobicContact CD1-CD1 3.96Å; L76-Y96 HydrophobicContact CD1-CE1 3.81Å; L76-Y96 HydrophobicContact CD1-CG 4.36Å; R83-Y96 PolarHBondContact NH2-OH 3.41Å; L92-Y96 HydrophobicContact CB-CD2 4.29Å; L92-Y96 HydrophobicContact CB-CE2 4.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.39Å; R93-Y96 PolarHBondContact O-N 3.28Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.8Å; Y96-V99 PolarHBondContact O-N 3.12Å; Y96-L100 WeakPolarHBondContact O-CB 3.37Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 2.91Å |
| 97 | S | 57.3 | Low | 59.4 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.8 | -173 | 0 | 0 | 0 | 0 | 110.6 | R93 S94 C95 L100 I101 | R93-S97 VanDerWaalsContact O-CB 3.27Å; R93-S97 WeakPolarHBondContact O-CB 3.4Å; R93-S97 PolarHBondContact O-N 3.47Å; S94-S97 PolarHBondContact O-N 3.5Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 3.49Å; S97-L100 PolarHBondContact O-N 3.21Å; S97-I101 WeakPolarHBondContact O-CD1 3.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.36Å; S97-I101 PolarHBondContact O-N 2.91Å |
| 98 | F | 55.1 | Low | 58.2 | Low | 128 Ų | 128 | 79.8 Ų | 79.8 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 177.2 | -171.7 | -101.9 | 0 | 0 | 0 | 112.8 | S94 C95 Y96 L100 I101 L102 | S94-F98 PolarHBondContact O-N 2.74Å; C95-F98 PolarHBondContact O-N 3.03Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.8Å; F98-L100 PolarHBondContact O-N 3.42Å; F98-I101 WeakPolarHBondContact O-CB 3.02Å; F98-I101 PolarHBondContact O-N 3.2Å; F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.43Å; F98-L102 HydrophobicContact CE1-CD1 3.39Å; F98-L102 HydrophobicContact CE1-CG 4.12Å; F98-L102 HydrophobicContact CZ-CD1 4.06Å; F98-L102 HydrophobicContact CZ-CG 4.43Å; F98-L102 PolarHBondContact O-N 3.18Å |
| 99 | V | 53.9 | Low | 57.3 | Low | 24 Ų | 24 | 84.3 Ų | 84.3 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.2 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | A73 L76 C95 Y96 I101 L102 F103 | A73-V99 HydrophobicContact CB-CG1 3.68Å; A73-V99 HydrophobicContact CB-CG2 4Å; L76-V99 HydrophobicContact CD1-CG2 4.21Å; C95-V99 VanDerWaalsContact O-CB 3.29Å; C95-V99 WeakPolarHBondContact O-CB 3.49Å; C95-V99 WeakPolarHBondContact O-CG2 3.28Å; C95-V99 PolarHBondContact O-N 3.42Å; Y96-V99 PolarHBondContact O-N 3.12Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 2.96Å; V99-L102 PolarHBondContact O-N 3.38Å; V99-L102 VanDerWaalsContact O-N 3.15Å; V99-F103 HydrophobicContact CB-CD2 4.47Å; V99-F103 HydrophobicContact CG1-CD2 3.51Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 VanDerWaalsContact O-CD2 3.24Å; V99-F103 WeakPolarHBondContact O-CD2 3.48Å; V99-F103 PolarHBondContact O-N 3.48Å |
| 100 | L | 51 | Low | 56.3 | Low | 25 Ų | 25 | 84.6 Ų | 84.6 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.7 | -71.4 | 172.6 | 0 | 0 | 0 | 112.1 | Y96 S97 F98 L102 R104 L110 I112 | Y96-L100 WeakPolarHBondContact O-CB 3.37Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 2.91Å; S97-L100 PolarHBondContact O-N 3.21Å; F98-L100 PolarHBondContact O-N 3.42Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-R104 PolarHBondContact O-N 3.23Å; L100-L110 HydrophobicContact CD2-CD1 3.77Å; L100-I112 HydrophobicContact CD1-CD1 3.49Å; L100-I112 VanDerWaalsContact CD1-CD1 3.49Å; L100-I112 HydrophobicContact CD1-CG1 4.36Å |
| 101 | I | 52.8 | Low | 55 | Low | 123 Ų | 123 | 82.3 Ų | 82.3 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 172.4 | -67.7 | 160.6 | 0 | 0 | 0 | 110 | S97 F98 V99 | S97-I101 WeakPolarHBondContact O-CD1 3.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.36Å; S97-I101 PolarHBondContact O-N 2.91Å; F98-I101 WeakPolarHBondContact O-CB 3.02Å; F98-I101 PolarHBondContact O-N 3.2Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 2.96Å |
| 102 | L | 49.7 | Very low | 54 | Low | 116 Ų | 116 | 83.4 Ų | 83.4 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.5 | -46.1 | 179.7 | -75.8 | 177 | 0 | 0 | 0 | 113.7 | F98 V99 L100 R104 | F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.43Å; F98-L102 HydrophobicContact CE1-CD1 3.39Å; F98-L102 HydrophobicContact CE1-CG 4.12Å; F98-L102 HydrophobicContact CZ-CD1 4.06Å; F98-L102 HydrophobicContact CZ-CG 4.43Å; F98-L102 PolarHBondContact O-N 3.18Å; V99-L102 PolarHBondContact O-N 3.38Å; V99-L102 VanDerWaalsContact O-N 3.15Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.07Å |
| 103 | F | 52.5 | Low | 52.8 | Low | 133 Ų | 133 | 89 Ų | 89 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -79.5 | -2.5 | -174.4 | -78.3 | -78.1 | 0 | 0 | 0 | 113.6 | A73 V99 R105 | A73-F103 HydrophobicContact CB-CE2 3.88Å; A73-F103 HydrophobicContact CB-CZ 4.44Å; V99-F103 HydrophobicContact CB-CD2 4.47Å; V99-F103 HydrophobicContact CG1-CD2 3.51Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 VanDerWaalsContact O-CD2 3.24Å; V99-F103 WeakPolarHBondContact O-CD2 3.48Å; V99-F103 PolarHBondContact O-N 3.48Å; F103-R105 HydrophobicContact CB-CB 4.12Å; F103-R105 PolarHBondContact O-N 3.37Å |
| 104 | R | 48.7 | Very low | 51.8 | Low | 238 Ų | 238 | 91.8 Ų | 91.8 | 90% | 0.898 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 17.6 | -178.3 | -131.9 | -177.2 | -176.2 | 123.6 | 0.2 | 112.9 | L100 L102 N106 | L100-R104 PolarHBondContact O-N 3.23Å; L102-R104 PolarHBondContact O-N 3.07Å; R104-N106 PolarHBondContact O-N 2.84Å |
| 105 | R | 49.5 | Very low | 51.1 | Low | 127 Ų | 127 | 96.6 Ų | 96.6 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | trans | -82.3 | 117.2 | -170.7 | -165.3 | 169.1 | 150.6 | 80.7 | 7.9 | 105.4 | F103 E109 L110 | F103-R105 HydrophobicContact CB-CB 4.12Å; F103-R105 PolarHBondContact O-N 3.37Å; R105-E109 IonicContact CZ-OE2 2.54Å; R105-E109 VanDerWaalsContact CZ-OE2 3.24Å; R105-E109 IonicContact NH1-OE2 3.36Å; R105-E109 PolarHBondContact NH1-OE2 2.98Å; R105-E109 IonicContact NH2-OE2 3.59Å; R105-E109 PolarHBondContact NH2-OE2 3.07Å; R105-L110 HydrophobicContact CG-CD1 4.43Å | ||
| 106 | N | 47 | Very low | 50.8 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | trans | -63.7 | 128.5 | -167 | 166.4 | 13.5 | 0 | 0 | 0 | 108.1 | R104 Y108 E109 | R104-N106 PolarHBondContact O-N 2.84Å; N106-Y108 VanDerWaalsContact C-CD1 3.41Å; N106-Y108 HydrophobicContact CB-CD1 3.45Å; N106-Y108 VanDerWaalsContact CB-CD1 3.45Å; N106-Y108 HydrophobicContact CB-CE1 3.18Å; N106-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N106-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N106-Y108 WeakPolarHBondContact O-CD1 3.03Å; N106-Y108 WeakPolarHBondContact O-CE1 3.44Å; N106-Y108 PolarHBondContact O-N 3.11Å; N106-Y108 VanDerWaalsContact O-N 3.12Å; N106-Y108 WeakPolarHBondContact OD1-CD1 3.27Å; N106-E109 PolarHBondContact O-N 2.91Å; N106-E109 VanDerWaalsContact O-N 3.09Å | ||
| 107 | P | 47.9 | Very low | 50.6 | Low | 31 Ų | 31 | 109 Ų | 109 | 20% | 0.201 | 52% | 0.523 | C | S | . | . | G | 310 helix | trans | -64.3 | -17.5 | -167.3 | 17.5 | -30 | 0 | 0 | 0 | 115.3 | E109 L110 G111 I112 K114 | P107-E109 PolarHBondContact O-N 3.01Å; P107-L110 PolarHBondContact O-N 2.78Å; P107-G111 PolarHBondContact O-N 3.42Å; P107-I112 PolarHBondContact O-N 3.45Å; P107-K114 HydrophobicContact CG-CG 4.31Å |
| 108 | Y | 47.1 | Very low | 51.2 | Low | 152 Ų | 152 | 115 Ų | 115 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -52.5 | -37 | 167.7 | 76.4 | -46.8 | 0 | 0 | 0 | 113.4 | N106 L110 G111 | N106-Y108 VanDerWaalsContact C-CD1 3.41Å; N106-Y108 HydrophobicContact CB-CD1 3.45Å; N106-Y108 VanDerWaalsContact CB-CD1 3.45Å; N106-Y108 HydrophobicContact CB-CE1 3.18Å; N106-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N106-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N106-Y108 WeakPolarHBondContact O-CD1 3.03Å; N106-Y108 WeakPolarHBondContact O-CE1 3.44Å; N106-Y108 PolarHBondContact O-N 3.11Å; N106-Y108 VanDerWaalsContact O-N 3.12Å; N106-Y108 WeakPolarHBondContact OD1-CD1 3.27Å; Y108-L110 VanDerWaalsContact C-N 3.25Å; Y108-L110 PolarHBondContact O-N 3.39Å; Y108-G111 PolarHBondContact O-N 2.73Å |
| 109 | E | 51 | Low | 52.1 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -71.4 | -17.8 | -178.8 | -90.1 | 174.4 | -137.7 | 0 | 0 | 113.5 | R105 N106 P107 | R105-E109 IonicContact CZ-OE2 2.54Å; R105-E109 VanDerWaalsContact CZ-OE2 3.24Å; R105-E109 IonicContact NH1-OE2 3.36Å; R105-E109 PolarHBondContact NH1-OE2 2.98Å; R105-E109 IonicContact NH2-OE2 3.59Å; R105-E109 PolarHBondContact NH2-OE2 3.07Å; N106-E109 PolarHBondContact O-N 2.91Å; N106-E109 VanDerWaalsContact O-N 3.09Å; P107-E109 PolarHBondContact O-N 3.01Å |
| 110 | L | 47.6 | Very low | 53.5 | Low | 74 Ų | 74 | 112.1 Ų | 112.1 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -107.8 | 8.5 | 176.7 | -82.9 | 102.2 | 0 | 0 | 0 | 113.7 | L100 R105 P107 Y108 I112 | L100-L110 HydrophobicContact CD2-CD1 3.77Å; R105-L110 HydrophobicContact CG-CD1 4.43Å; P107-L110 PolarHBondContact O-N 2.78Å; Y108-L110 VanDerWaalsContact C-N 3.25Å; Y108-L110 PolarHBondContact O-N 3.39Å; L110-I112 HydrophobicContact CB-CG1 4.14Å; L110-I112 PolarHBondContact O-N 3.45Å |
| 111 | G | 44.5 | Very low | 55.1 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.3 | 13.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | P107 Y108 E113 | P107-G111 PolarHBondContact O-N 3.42Å; Y108-G111 PolarHBondContact O-N 2.73Å; G111-E113 VanDerWaalsContact C-N 3.26Å; G111-E113 PolarHBondContact O-N 3.37Å |
| 112 | I | 46.9 | Very low | 56.7 | Low | 59 Ų | 59 | 115.5 Ų | 115.5 | 30% | 0.303 | 55% | 0.554 | S | S | . | * | trans | -79.8 | 85.9 | 174.3 | -49.6 | -163.7 | 0 | 0 | 0 | 106.5 | L100 P107 L110 K114 | L100-I112 HydrophobicContact CD1-CD1 3.49Å; L100-I112 VanDerWaalsContact CD1-CD1 3.49Å; L100-I112 HydrophobicContact CD1-CG1 4.36Å; P107-I112 PolarHBondContact O-N 3.45Å; L110-I112 HydrophobicContact CB-CG1 4.14Å; L110-I112 PolarHBondContact O-N 3.45Å; I112-K114 PolarHBondContact O-N 3.03Å | ||
| 113 | E | 46.9 | Very low | 58.5 | Low | 122 Ų | 122 | 113.8 Ų | 113.8 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | trans | -51.8 | 124.6 | 175 | -64.4 | -172.1 | 164.5 | 0 | 0 | 108.9 | G111 K115 | G111-E113 VanDerWaalsContact C-N 3.26Å; G111-E113 PolarHBondContact O-N 3.37Å; E113-K115 HydrophobicContact CB-CB 4.41Å; E113-K115 HydrophobicContact CB-CG 4.23Å; E113-K115 PolarHBondContact O-N 2.79Å; E113-K115 IonicContact OE1-NZ 3.24Å; E113-K115 WeakPolarHBondContact OE2-CD 3.06Å; E113-K115 WeakPolarHBondContact OE2-CE 3.2Å; E113-K115 IonicContact OE2-NZ 2.83Å; E113-K115 PolarHBondContact OE2-NZ 3.21Å | ||
| 114 | K | 46.6 | Very low | 60.3 | Low | 166 Ų | 166 | 108.2 Ų | 108.2 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -64.5 | 24.2 | 173.2 | -70 | -169.6 | 178.6 | -179.3 | 0 | 113.2 | P107 I112 K116 | P107-K114 HydrophobicContact CG-CG 4.31Å; I112-K114 PolarHBondContact O-N 3.03Å; K114-K116 VanDerWaalsContact C-N 3.26Å; K114-K116 PolarHBondContact O-N 2.95Å |
| 115 | K | 51.1 | Low | 62.2 | Low | 153 Ų | 153 | 102.6 Ų | 102.6 | 67% | 0.665 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -67.5 | -18.5 | -176.5 | -84 | -171.1 | -175.2 | 145 | 0 | 114.2 | E113 | E113-K115 HydrophobicContact CB-CB 4.41Å; E113-K115 HydrophobicContact CB-CG 4.23Å; E113-K115 PolarHBondContact O-N 2.79Å; E113-K115 IonicContact OE1-NZ 3.24Å; E113-K115 WeakPolarHBondContact OE2-CD 3.06Å; E113-K115 WeakPolarHBondContact OE2-CE 3.2Å; E113-K115 IonicContact OE2-NZ 2.83Å; E113-K115 PolarHBondContact OE2-NZ 3.21Å |
| 116 | K | 55.1 | Low | 64.2 | Low | 153 Ų | 153 | 98.1 Ų | 98.1 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -79.9 | -23.3 | -174.5 | -88 | -145 | -176.7 | 173.5 | 0 | 116.3 | R93 K114 | R93-K116 VanDerWaalsContact NH1-NZ 3.14Å; K114-K116 VanDerWaalsContact C-N 3.26Å; K114-K116 PolarHBondContact O-N 2.95Å |
| 117 | N | 60.7 | Low | 66.3 | Low | 161 Ų | 161 | 94.8 Ų | 94.8 | 86% | 0.861 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -16.2 | -176.7 | -73.9 | 16.8 | 0 | 0 | 0 | 113.4 | ||
| 118 | R | 69.1 | Low | 68.5 | Low | 192 Ų | 192 | 95 Ų | 95 | 73% | 0.725 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -83.8 | 128.9 | 173.6 | -172.2 | 179.6 | 174.6 | -178.7 | -1.9 | 108.1 | S120 | R118-S120 PolarHBondContact O-N 3.33Š|
| 119 | P | 73.8 | Confident | 70.7 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 20% | 0.195 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -53 | 137 | 170.6 | -23.9 | 33.5 | 0 | 0 | 0 | 110.3 | Q123 I124 | P119-Q123 HydrophobicContact CB-CB 4.12Å; P119-I124 HydrophobicContact CB-CG1 3.89Å |
| 120 | S | 83.8 | Confident | 72.7 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 43% | 0.427 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 153.7 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | R118 V122 Q123 I124 | R118-S120 PolarHBondContact O-N 3.33Å; S120-V122 PolarHBondContact O-N 3.18Å; S120-Q123 WeakPolarHBondContact O-CA 3.2Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.32Å; S120-I124 PolarHBondContact O-N 3.4Å |
| 121 | D | 85.7 | Confident | 74.9 | Confident | 130 Ų | 130 | 86 Ų | 86 | 70% | 0.695 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -54.8 | -36.9 | 174.1 | -169.4 | 49.8 | 0 | 0 | 0 | 111.7 | Q123 I124 K125 | D121-Q123 PolarHBondContact O-N 2.92Å; D121-I124 PolarHBondContact O-N 3.06Å; D121-K125 WeakPolarHBondContact O-CB 3.33Å; D121-K125 PolarHBondContact O-N 3.31Å |
| 122 | V | 85.7 | Confident | 77.2 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | S120 K125 N126 | S120-V122 PolarHBondContact O-N 3.18Å; V122-K125 PolarHBondContact O-N 2.87Å; V122-N126 WeakPolarHBondContact O-CB 3.49Å; V122-N126 PolarHBondContact O-N 3.38Å; V122-N126 PolarHBondContact O-OD1 3.45Å |
| 123 | Q | 87 | Confident | 79.4 | Confident | 79 Ų | 79 | 87.4 Ų | 87.4 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.4 | -68.1 | 176.8 | -68.3 | 0 | 0 | 111.3 | P119 S120 D121 K125 N126 R127 | P119-Q123 HydrophobicContact CB-CB 4.12Å; S120-Q123 WeakPolarHBondContact O-CA 3.2Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.32Å; D121-Q123 PolarHBondContact O-N 2.92Å; Q123-K125 PolarHBondContact O-N 3.32Å; Q123-N126 PolarHBondContact O-N 3.31Å; Q123-R127 WeakPolarHBondContact O-CB 3.33Å; Q123-R127 VanDerWaalsContact O-CG 3.26Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 3.24Å |
| 124 | I | 90.4 | Very high | 81.6 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 9% | 0.087 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.2 | -49 | 175.5 | -66.9 | 174.4 | 0 | 0 | 0 | 109.9 | P119 S120 D121 N126 R127 R128 D262 | P119-I124 HydrophobicContact CB-CG1 3.89Å; S120-I124 PolarHBondContact O-N 3.4Å; D121-I124 PolarHBondContact O-N 3.06Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.05Å; I124-R127 PolarHBondContact O-N 3.42Å; I124-R128 HydrophobicContact CG2-CG 4.47Å; I124-R128 VanDerWaalsContact CG2-NE 3.34Å; I124-R128 WeakPolarHBondContact O-CB 3.16Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.26Å; I124-D262 HydrophobicContact CG2-CB 4.47Å; I124-D262 WeakPolarHBondContact CG2-OD1 3.34Å |
| 125 | K | 90 | Very high | 83.9 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 52% | 0.522 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 179 | -164.6 | 174.1 | -176.8 | 179.3 | 0 | 112 | D121 V122 Q123 R128 Y129 | D121-K125 WeakPolarHBondContact O-CB 3.33Å; D121-K125 PolarHBondContact O-N 3.31Å; V122-K125 PolarHBondContact O-N 2.87Å; Q123-K125 PolarHBondContact O-N 3.32Å; K125-R128 PolarHBondContact O-N 3.44Å; K125-Y129 WeakPolarHBondContact O-CB 3.04Å; K125-Y129 PolarHBondContact O-N 3.28Å |
| 126 | N | 89.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.1 | -70.8 | -2.8 | 0 | 0 | 0 | 111.8 | V122 Q123 I124 Y129 T130 | V122-N126 WeakPolarHBondContact O-CB 3.49Å; V122-N126 PolarHBondContact O-N 3.38Å; V122-N126 PolarHBondContact O-OD1 3.45Å; Q123-N126 PolarHBondContact O-N 3.31Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.05Å; N126-Y129 WeakPolarHBondContact O-CB 3.43Å; N126-Y129 PolarHBondContact O-N 3.24Å; N126-T130 PolarHBondContact O-N 3.27Å; N126-T130 PolarHBondContact O-OG1 2.83Å; N126-T130 VanDerWaalsContact O-OG1 3.09Å |
| 127 | R | 92.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 174.9 | -72.6 | 173 | -174.4 | -159.7 | -13.4 | 111.9 | Q123 I124 Y129 T130 K131 V261 D262 E263 Y267 D268 | Q123-R127 WeakPolarHBondContact O-CB 3.33Å; Q123-R127 VanDerWaalsContact O-CG 3.26Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 3.24Å; I124-R127 PolarHBondContact O-N 3.42Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 2.98Å; R127-T130 WeakPolarHBondContact O-CB 3.46Å; R127-T130 PolarHBondContact O-N 3.29Å; R127-K131 PolarHBondContact O-N 2.74Å; R127-V261 HydrophobicContact CB-CG1 4.22Å; R127-D262 WeakPolarHBondContact CD-O 3.19Å; R127-D262 PolarHBondContact NH1-O 3.46Å; R127-E263 VanDerWaalsContact NH1-C 3.29Å; R127-E263 PolarHBondContact NH1-O 3.22Å; R127-Y267 WeakPolarHBondContact CA-O 3.24Å; R127-D268 IonicContact CZ-OD1 3.93Å; R127-D268 VanDerWaalsContact CZ-OD1 3.3Å; R127-D268 IonicContact CZ-OD2 3.81Å; R127-D268 IonicContact NE-OD1 3.13Å; R127-D268 PolarHBondContact NE-OD1 3.45Å; R127-D268 IonicContact NH2-OD1 2.8Å; R127-D268 PolarHBondContact NH2-OD1 2.99Å; R127-D268 IonicContact NH2-OD2 3.94Å; R127-D268 PolarHBondContact NH2-OD2 2.88Å |
| 128 | R | 93.1 | Very high | 89.4 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.9 | -68.6 | 176.6 | -173.8 | -177 | -2.3 | 111.3 | I124 K125 K131 L132 F249 L250 S251 G252 Y258 V261 D262 | I124-R128 HydrophobicContact CG2-CG 4.47Å; I124-R128 VanDerWaalsContact CG2-NE 3.34Å; I124-R128 WeakPolarHBondContact O-CB 3.16Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.26Å; K125-R128 PolarHBondContact O-N 3.44Å; R128-K131 PolarHBondContact O-N 3.49Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 3.41Å; R128-F249 HydrophobicContact CB-CE1 4.44Å; R128-F249 WeakPolarHBondContact O-CE1 3.2Å; R128-L250 HydrophobicContact CB-CD2 4.2Å; R128-L250 WeakPolarHBondContact CD-O 3.41Å; R128-L250 PolarHBondContact NH1-O 3.3Å; R128-L250 VanDerWaalsContact NH1-O 3.12Å; R128-S251 PolarHBondContact NH1-O 3.09Å; R128-S251 VanDerWaalsContact NH1-O 3.07Å; R128-G252 VanDerWaalsContact NH1-CA 3.27Å; R128-G252 VanDerWaalsContact NH1-N 3.19Å; R128-Y258 HydrophobicContact CG-CD1 4.25Å; R128-V261 HydrophobicContact CG-CG1 4.39Å; R128-D262 WeakPolarHBondContact CG-OD1 3.13Å; R128-D262 IonicContact CZ-OD1 3.82Å; R128-D262 IonicContact CZ-OD2 3.76Å; R128-D262 IonicContact NE-OD1 2.9Å; R128-D262 PolarHBondContact NE-OD1 3.03Å; R128-D262 IonicContact NE-OD2 3.24Å; R128-D262 IonicContact NH2-OD1 3.38Å; R128-D262 IonicContact NH2-OD2 3.93Å; R128-D262 PolarHBondContact NH2-OD2 2.93Å |
| 129 | Y | 92.9 | Very high | 90.3 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.1 | -175.2 | -104.8 | 0 | 0 | 0 | 112.9 | K125 N126 R127 K131 L132 R133 L250 L272 | K125-Y129 WeakPolarHBondContact O-CB 3.04Å; K125-Y129 PolarHBondContact O-N 3.28Å; N126-Y129 WeakPolarHBondContact O-CB 3.43Å; N126-Y129 PolarHBondContact O-N 3.24Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 2.98Å; Y129-K131 VanDerWaalsContact C-N 3.31Å; Y129-K131 PolarHBondContact O-N 3.45Å; Y129-L132 WeakPolarHBondContact O-CB 3.16Å; Y129-L132 PolarHBondContact O-N 2.99Å; Y129-R133 HydrophobicContact CE1-CG 4.26Å; Y129-R133 VanDerWaalsContact CZ-NE 3.27Å; Y129-R133 PolarHBondContact O-N 2.83Å; Y129-R133 VanDerWaalsContact OH-CZ 3.32Å; Y129-R133 PolarHBondContact OH-NE 3.18Å; Y129-R133 PolarHBondContact OH-NH2 3.32Å; Y129-L250 HydrophobicContact CD2-CD1 4.37Å; Y129-L250 HydrophobicContact CD2-CD2 4.16Å; Y129-L272 HydrophobicContact CD1-CD1 3.91Å; Y129-L272 HydrophobicContact CE1-CD1 4.06Å |
| 130 | T | 93 | Very high | 91.2 | Very high | 30 Ų | 30 | 69.1 Ų | 69.1 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 172.7 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | N126 R127 R133 Q134 Y267 | N126-T130 PolarHBondContact O-N 3.27Å; N126-T130 PolarHBondContact O-OG1 2.83Å; N126-T130 VanDerWaalsContact O-OG1 3.09Å; R127-T130 WeakPolarHBondContact O-CB 3.46Å; R127-T130 PolarHBondContact O-N 3.29Å; T130-R133 PolarHBondContact O-N 3.26Å; T130-Q134 WeakPolarHBondContact O-CG 3.27Å; T130-Q134 PolarHBondContact O-N 3.09Å; T130-Y267 WeakPolarHBondContact CB-O 3.36Å; T130-Y267 HydrophobicContact CG2-CD1 4.13Å; T130-Y267 PolarHBondContact OG1-O 3.15Å |
| 131 | K | 93.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 68 Ų | 68 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.4 | -172.5 | 68 | 168.6 | -170.1 | 0 | 112.4 | R127 R128 Y129 R133 Q134 L135 F249 V261 Y267 | R127-K131 PolarHBondContact O-N 2.74Å; R128-K131 PolarHBondContact O-N 3.49Å; Y129-K131 VanDerWaalsContact C-N 3.31Å; Y129-K131 PolarHBondContact O-N 3.45Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.75Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.12Å; K131-Q134 VanDerWaalsContact O-N 3.12Å; K131-L135 HydrophobicContact CG-CD1 4.1Å; K131-L135 HydrophobicContact CG-CG 4.35Å; K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 2.92Å; K131-F249 HydrophobicContact CB-CE1 4.42Å; K131-F249 HydrophobicContact CB-CZ 4.33Å; K131-F249 HydrophobicContact CG-CZ 4.01Å; K131-V261 HydrophobicContact CB-CG1 3.79Å; K131-V261 HydrophobicContact CB-CG2 4.22Å; K131-V261 HydrophobicContact CD-CG2 4.01Å; K131-V261 HydrophobicContact CG-CG1 4.31Å; K131-V261 HydrophobicContact CG-CG2 3.8Å; K131-Y267 HydrophobicContact CB-CD1 4.34Å; K131-Y267 HydrophobicContact CB-CE1 4.4Å; K131-Y267 HydrophobicContact CD-CD1 4.33Å; K131-Y267 HydrophobicContact CD-CE1 3.58Å; K131-Y267 PolarHBondContact NZ-OH 3Å |
| 132 | L | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 177.3 | 176.6 | 146.1 | 0 | 0 | 0 | 110.7 | R128 Y129 Q134 L135 I136 F142 H246 F249 L250 | R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 3.41Å; Y129-L132 WeakPolarHBondContact O-CB 3.16Å; Y129-L132 PolarHBondContact O-N 2.99Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-I136 HydrophobicContact CD2-CD1 3.4Å; L132-I136 VanDerWaalsContact CD2-CD1 3.4Å; L132-I136 HydrophobicContact CD2-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 4.05Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 2.81Å; L132-F142 HydrophobicContact CD1-CZ 4.32Å; L132-F142 HydrophobicContact CG-CE2 4.23Å; L132-F142 HydrophobicContact CG-CZ 4.35Å; L132-H246 HydrophobicContact CD1-CB 3.88Å; L132-F249 HydrophobicContact CB-CD1 3.75Å; L132-F249 HydrophobicContact CB-CE1 3.72Å; L132-F249 HydrophobicContact CD1-CB 4.29Å; L132-F249 HydrophobicContact CD1-CD1 3.76Å; L132-F249 HydrophobicContact CD1-CG 4.34Å; L132-F249 HydrophobicContact CG-CD1 4.23Å; L132-L250 HydrophobicContact CB-CD2 4.45Å; L132-L250 HydrophobicContact CD1-CD1 4.45Å; L132-L250 HydrophobicContact CD1-CD2 4.03Å; L132-L250 HydrophobicContact CD1-CG 3.94Å |
| 133 | R | 92.8 | Very high | 92.3 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 175.9 | -74.5 | -167.6 | 174.4 | -170.8 | 4 | 112.4 | Y129 T130 K131 I136 S137 | Y129-R133 HydrophobicContact CE1-CG 4.26Å; Y129-R133 VanDerWaalsContact CZ-NE 3.27Å; Y129-R133 PolarHBondContact O-N 2.83Å; Y129-R133 VanDerWaalsContact OH-CZ 3.32Å; Y129-R133 PolarHBondContact OH-NE 3.18Å; Y129-R133 PolarHBondContact OH-NH2 3.32Å; T130-R133 PolarHBondContact O-N 3.26Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.75Å; R133-I136 PolarHBondContact O-N 2.99Å; R133-S137 WeakPolarHBondContact O-CB 3.43Å; R133-S137 PolarHBondContact O-N 2.91Å |
| 134 | Q | 92.6 | Very high | 92.4 | Very high | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.36 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.9 | -68.4 | 179.3 | 5.4 | 0 | 0 | 111.8 | T130 K131 L132 S137 K138 | T130-Q134 WeakPolarHBondContact O-CG 3.27Å; T130-Q134 PolarHBondContact O-N 3.09Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.12Å; K131-Q134 VanDerWaalsContact O-N 3.12Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 2.91Å; Q134-K138 WeakPolarHBondContact O-CG 3.45Å; Q134-K138 PolarHBondContact O-N 3.21Å; Q134-K138 VanDerWaalsContact O-N 3.08Å |
| 135 | L | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 179 | -70.2 | 173.5 | 0 | 0 | 0 | 112.1 | K131 L132 K138 G139 Y141 F142 F249 F256 | K131-L135 HydrophobicContact CG-CD1 4.1Å; K131-L135 HydrophobicContact CG-CG 4.35Å; K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-K138 PolarHBondContact O-N 3.39Å; L135-G139 PolarHBondContact O-N 2.82Å; L135-G139 VanDerWaalsContact O-N 3.09Å; L135-Y141 HydrophobicContact CD1-CD1 3.85Å; L135-Y141 HydrophobicContact CD1-CE1 4.33Å; L135-Y141 HydrophobicContact CD1-CG 4.25Å; L135-Y141 HydrophobicContact CD2-CG 4.39Å; L135-F142 HydrophobicContact CB-CD2 3.91Å; L135-F142 HydrophobicContact CB-CE2 3.74Å; L135-F142 HydrophobicContact CD1-CE2 4.21Å; L135-F249 HydrophobicContact CD1-CE2 3.67Å; L135-F249 HydrophobicContact CD1-CZ 3.63Å; L135-F256 HydrophobicContact CD1-CE2 4.23Å |
| 136 | I | 94.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.6 | -67.2 | 171.3 | 0 | 0 | 0 | 110.4 | L132 R133 K138 G139 F142 H246 | L132-I136 HydrophobicContact CD2-CD1 3.4Å; L132-I136 VanDerWaalsContact CD2-CD1 3.4Å; L132-I136 HydrophobicContact CD2-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 4.05Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 2.81Å; R133-I136 PolarHBondContact O-N 2.99Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 3.36Å; I136-G139 PolarHBondContact O-N 3.5Å; I136-G139 VanDerWaalsContact O-N 3.1Å; I136-F142 HydrophobicContact CG1-CD2 3.73Å; I136-F142 HydrophobicContact CG1-CE2 4.16Å; I136-F142 HydrophobicContact CG1-CG 4.43Å; I136-H246 WeakPolarHBondContact CD1-NE2 3.05Å |
| 137 | S | 94.2 | Very high | 92.4 | Very high | 98 Ų | 98 | 58 Ų | 58 | 69% | 0.685 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | -179.1 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | R133 Q134 | R133-S137 WeakPolarHBondContact O-CB 3.43Å; R133-S137 PolarHBondContact O-N 2.91Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 2.91Å |
| 138 | K | 94.3 | Very high | 92.3 | Very high | 138 Ų | 138 | 60.6 Ų | 60.6 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -74.3 | -31.9 | 174.8 | -70.6 | -178.2 | 179 | -171.6 | 0 | 112.2 | Q134 L135 I136 E140 | Q134-K138 WeakPolarHBondContact O-CG 3.45Å; Q134-K138 PolarHBondContact O-N 3.21Å; Q134-K138 VanDerWaalsContact O-N 3.08Å; L135-K138 PolarHBondContact O-N 3.39Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 3.36Å; K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 2.93Å |
| 139 | G | 89.7 | Confident | 92 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 7.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | L135 I136 | L135-G139 PolarHBondContact O-N 2.82Å; L135-G139 VanDerWaalsContact O-N 3.09Å; I136-G139 PolarHBondContact O-N 3.5Å; I136-G139 VanDerWaalsContact O-N 3.1Å |
| 140 | E | 91.3 | Very high | 91.8 | Very high | 143 Ų | 143 | 65.4 Ų | 65.4 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -86.6 | -55.3 | -178.3 | -65.8 | 176.1 | 167.8 | 0 | 0 | 111.6 | K138 S143 E146 | K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 2.93Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 2.92Å; E140-S143 PolarHBondContact O-OG 2.94Å; E140-E146 WeakPolarHBondContact O-CG 3.29Å |
| 141 | Y | 93.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 65.7 Ų | 65.7 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -36.8 | -171.1 | -172.8 | -102.7 | 0 | 0 | 0 | 114 | L135 S143 E146 R150 F249 D255 F256 | L135-Y141 HydrophobicContact CD1-CD1 3.85Å; L135-Y141 HydrophobicContact CD1-CE1 4.33Å; L135-Y141 HydrophobicContact CD1-CG 4.25Å; L135-Y141 HydrophobicContact CD2-CG 4.39Å; Y141-S143 VanDerWaalsContact C-N 3.31Å; Y141-E146 WeakPolarHBondContact O-CB 3.45Å; Y141-R150 VanDerWaalsContact CZ-CZ 3.48Å; Y141-R150 PolarHBondContact O-NH2 3.25Å; Y141-R150 PolarHBondContact OH-NH1 3.23Å; Y141-F249 AromaticContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CE2 4.12Å; Y141-D255 PolarHBondContact OH-O 3.37Å; Y141-F256 HydrophobicContact CE1-CD2 4.44Å; Y141-F256 AromaticContact CE2-CD2 3.99Å; Y141-F256 HydrophobicContact CE2-CD2 3.99Å; Y141-F256 AromaticContact CZ-CD2 3.82Å |
| 142 | F | 94.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 25.2 | 174.8 | -65.6 | -72.5 | 0 | 0 | 0 | 111.9 | L132 L135 I136 M147 H246 F249 | L132-F142 HydrophobicContact CD1-CZ 4.32Å; L132-F142 HydrophobicContact CG-CE2 4.23Å; L132-F142 HydrophobicContact CG-CZ 4.35Å; L135-F142 HydrophobicContact CB-CD2 3.91Å; L135-F142 HydrophobicContact CB-CE2 3.74Å; L135-F142 HydrophobicContact CD1-CE2 4.21Å; I136-F142 HydrophobicContact CG1-CD2 3.73Å; I136-F142 HydrophobicContact CG1-CE2 4.16Å; I136-F142 HydrophobicContact CG1-CG 4.43Å; F142-M147 HydrophobicContact CB-SD 4.38Å; F142-M147 HydrophobicContact CD1-CG 4.48Å; F142-M147 HydrophobicContact CD1-SD 4.2Å; F142-M147 VanDerWaalsContact O-CE 3.3Å; F142-M147 WeakPolarHBondContact O-CE 3.3Å; F142-H246 AromaticContact CD1-CD2 3.78Å; F142-H246 AromaticContact CE1-CD2 3.63Å; F142-H246 AromaticContact CZ-CD2 3.92Å; F142-F249 HydrophobicContact CE1-CB 4.49Å; F142-F249 HydrophobicContact CZ-CB 4.06Å; F142-F249 HydrophobicContact CZ-CD2 4.12Å; F142-F249 AromaticContact CZ-CG 3.98Å; F142-F249 HydrophobicContact CZ-CG 3.98Å |
| 143 | S | 91.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 66.3 Ų | 66.3 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.1 | 152.9 | 167 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | E140 Y141 N145 E146 M147 | E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 2.92Å; E140-S143 PolarHBondContact O-OG 2.94Å; Y141-S143 VanDerWaalsContact C-N 3.31Å; S143-N145 PolarHBondContact O-N 3.42Å; S143-E146 PolarHBondContact O-N 2.8Å; S143-E146 WeakPolarHBondContact OG-CB 3.37Å; S143-E146 PolarHBondContact OG-N 3.19Å; S143-M147 WeakPolarHBondContact O-CG 3.29Å; S143-M147 PolarHBondContact O-N 3.27Å |
| 144 | D | 89 | Confident | 91.5 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.5 | -38.3 | -178.5 | -70.8 | -10.5 | 0 | 0 | 0 | 111.4 | Q148 Y155 R238 | D144-Q148 VanDerWaalsContact O-CB 3.22Å; D144-Q148 WeakPolarHBondContact O-CB 3.5Å; D144-Q148 PolarHBondContact O-N 3.3Å; D144-Y155 HydrophobicContact CB-CE2 4.49Å; D144-R238 IonicContact OD1-CZ 3.59Å; D144-R238 IonicContact OD1-NE 3.56Å; D144-R238 IonicContact OD1-NH2 2.79Å; D144-R238 PolarHBondContact OD1-NH2 2.77Å; D144-R238 IonicContact OD2-NE 3.55Å; D144-R238 IonicContact OD2-NH2 3.53Å; D144-R238 PolarHBondContact OD2-NH2 2.72Å |
| 145 | N | 87.7 | Confident | 91.4 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.4 | -67.6 | -20.1 | 0 | 0 | 0 | 112.7 | S143 Q148 R149 Q171 | S143-N145 PolarHBondContact O-N 3.42Å; N145-Q148 PolarHBondContact O-N 3.41Å; N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.05Å; N145-Q171 PolarHBondContact OD1-NE2 3.09Å |
| 146 | E | 90.9 | Very high | 91.2 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.3 | -33.8 | -179.5 | -74.8 | -58.8 | 129.4 | 0 | 0 | 112.1 | E140 Y141 S143 R149 R150 | E140-E146 WeakPolarHBondContact O-CG 3.29Å; Y141-E146 WeakPolarHBondContact O-CB 3.45Å; S143-E146 PolarHBondContact O-N 2.8Å; S143-E146 WeakPolarHBondContact OG-CB 3.37Å; S143-E146 PolarHBondContact OG-N 3.19Å; E146-R149 IonicContact OE1-NH1 2.71Å; E146-R149 PolarHBondContact OE1-NH1 3.03Å; E146-R149 IonicContact OE2-NH1 2.7Å; E146-R149 PolarHBondContact OE2-NH1 2.85Å; E146-R150 WeakPolarHBondContact O-CG 3.39Å; E146-R150 PolarHBondContact O-N 2.7Å; E146-R150 PolarHBondContact O-NE 3.4Å |
| 147 | M | 92 | Very high | 90.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 171.9 | -68 | -172.8 | -65.1 | 0 | 0 | 111.5 | F142 S143 R149 R150 E151 F241 V242 M245 | F142-M147 HydrophobicContact CB-SD 4.38Å; F142-M147 HydrophobicContact CD1-CG 4.48Å; F142-M147 HydrophobicContact CD1-SD 4.2Å; F142-M147 VanDerWaalsContact O-CE 3.3Å; F142-M147 WeakPolarHBondContact O-CE 3.3Å; S143-M147 WeakPolarHBondContact O-CG 3.29Å; S143-M147 PolarHBondContact O-N 3.27Å; M147-R149 VanDerWaalsContact C-N 3.35Å; M147-R149 PolarHBondContact O-N 2.86Å; M147-R150 PolarHBondContact O-N 3.02Å; M147-E151 PolarHBondContact O-N 2.88Å; M147-F241 HydrophobicContact CB-CE1 3.7Å; M147-F241 HydrophobicContact CB-CZ 3.86Å; M147-F241 HydrophobicContact CE-CD1 4.47Å; M147-F241 HydrophobicContact CE-CE1 3.99Å; M147-F241 HydrophobicContact CG-CE1 4.39Å; M147-F241 HydrophobicContact SD-CE1 3.91Å; M147-V242 HydrophobicContact CE-CG2 4.09Å; M147-V242 HydrophobicContact SD-CG2 4.46Å; M147-M245 HydrophobicContact CB-CE 4.5Å; M147-M245 HydrophobicContact CG-CE 4.44Å; M147-M245 HydrophobicContact CG-CG 4.4Å; M147-M245 HydrophobicContact SD-CB 4.1Å; M147-M245 HydrophobicContact SD-CG 4Å |
| 148 | Q | 89.4 | Confident | 90.6 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.5 | -179.5 | -179.3 | 17.5 | 0 | 0 | 111.9 | D144 N145 R150 E151 P152 Y155 | D144-Q148 VanDerWaalsContact O-CB 3.22Å; D144-Q148 WeakPolarHBondContact O-CB 3.5Å; D144-Q148 PolarHBondContact O-N 3.3Å; N145-Q148 PolarHBondContact O-N 3.41Å; Q148-R150 VanDerWaalsContact C-N 3.35Å; Q148-R150 PolarHBondContact O-N 3.21Å; Q148-E151 CarbonylContact O-C 3.52Å; Q148-P152 VanDerWaalsContact O-CA 3.29Å; Q148-P152 WeakPolarHBondContact O-CA 3.35Å; Q148-P152 WeakPolarHBondContact O-CG 3.34Å; Q148-Y155 HydrophobicContact CB-CD1 4Å; Q148-Y155 HydrophobicContact CB-CD2 3.87Å; Q148-Y155 HydrophobicContact CB-CE1 4.17Å; Q148-Y155 HydrophobicContact CB-CE2 4.05Å; Q148-Y155 HydrophobicContact CB-CG 3.84Å; Q148-Y155 HydrophobicContact CG-CD1 3.64Å; Q148-Y155 HydrophobicContact CG-CD2 4.43Å; Q148-Y155 HydrophobicContact CG-CE1 3.91Å; Q148-Y155 HydrophobicContact CG-CG 3.92Å |
| 149 | R | 86.8 | Confident | 90.4 | Very high | 175 Ų | 175 | 49 Ų | 49 | 66% | 0.66 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.5 | -38 | 178.8 | -76.9 | -175.3 | 66.3 | -118.6 | -9.6 | 112.7 | N145 E146 M147 | N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.05Å; E146-R149 IonicContact OE1-NH1 2.71Å; E146-R149 PolarHBondContact OE1-NH1 3.03Å; E146-R149 IonicContact OE2-NH1 2.7Å; E146-R149 PolarHBondContact OE2-NH1 2.85Å; M147-R149 VanDerWaalsContact C-N 3.35Å; M147-R149 PolarHBondContact O-N 2.86Å |
| 150 | R | 89.5 | Confident | 90.3 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.6 | -39.4 | -179.6 | -69.8 | -178.7 | -68.5 | 142.5 | -8.2 | 112.6 | Y141 E146 M147 Q148 D254 D255 | Y141-R150 VanDerWaalsContact CZ-CZ 3.48Å; Y141-R150 PolarHBondContact O-NH2 3.25Å; Y141-R150 PolarHBondContact OH-NH1 3.23Å; E146-R150 WeakPolarHBondContact O-CG 3.39Å; E146-R150 PolarHBondContact O-N 2.7Å; E146-R150 PolarHBondContact O-NE 3.4Å; M147-R150 PolarHBondContact O-N 3.02Å; Q148-R150 VanDerWaalsContact C-N 3.35Å; Q148-R150 PolarHBondContact O-N 3.21Å; R150-D254 IonicContact CZ-OD1 3.39Å; R150-D254 IonicContact CZ-OD2 3.78Å; R150-D254 IonicContact NH1-OD1 3.99Å; R150-D254 PolarHBondContact NH1-OD1 3.37Å; R150-D254 IonicContact NH1-OD2 2.71Å; R150-D254 PolarHBondContact NH1-OD2 3.5Å; R150-D255 HydrophobicContact CG-CB 4.47Å |
| 151 | E | 91.4 | Very high | 90.1 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -131.3 | 72.2 | -177.3 | -74 | -72.5 | 163 | 0 | 0 | 112.3 | M147 Q148 F153 L154 Y155 M245 R248 | M147-E151 PolarHBondContact O-N 2.88Å; Q148-E151 CarbonylContact O-C 3.52Å; E151-F153 PolarHBondContact O-N 3.5Å; E151-L154 HydrophobicContact CB-CB 4.3Å; E151-Y155 VanDerWaalsContact O-CB 3.27Å; E151-Y155 WeakPolarHBondContact O-CB 3.49Å; E151-Y155 PolarHBondContact O-N 3.28Å; E151-M245 HydrophobicContact CB-CE 4.34Å; E151-M245 HydrophobicContact CB-SD 4.08Å; E151-M245 HydrophobicContact CG-CE 3.99Å; E151-M245 HydrophobicContact CG-SD 3.9Å; E151-R248 IonicContact OE1-CZ 2.99Å; E151-R248 IonicContact OE1-NH1 2.7Å; E151-R248 PolarHBondContact OE1-NH1 3.17Å; E151-R248 VanDerWaalsContact OE1-NH1 3.13Å; E151-R248 IonicContact OE2-CZ 3.94Å; E151-R248 IonicContact OE2-NH1 3.03Å; E151-R248 PolarHBondContact OE2-NH1 3Å; E151-R248 IonicContact OE2-NH2 3.3Å | ||
| 152 | P | 91.1 | Very high | 89.6 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.156 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | -173.5 | -22.1 | 32.3 | 0 | 0 | 0 | 113.7 | Q148 D156 | Q148-P152 VanDerWaalsContact O-CA 3.29Å; Q148-P152 WeakPolarHBondContact O-CA 3.35Å; Q148-P152 WeakPolarHBondContact O-CG 3.34Å; P152-D156 WeakPolarHBondContact O-CB 3.41Å; P152-D156 PolarHBondContact O-N 3.03Å |
| 153 | F | 92.1 | Very high | 89.2 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -47.1 | -178.2 | 175.9 | -111.1 | 0 | 0 | 0 | 112.4 | E151 Y155 D156 Q157 K197 Q200 Q201 Y204 | E151-F153 PolarHBondContact O-N 3.5Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 3.02Å; F153-D156 WeakPolarHBondContact O-CB 3.31Å; F153-D156 PolarHBondContact O-N 3.25Å; F153-Q157 PolarHBondContact O-N 2.86Å; F153-K197 HydrophobicContact CB-CG 4.01Å; F153-K197 HydrophobicContact CD2-CG 4.03Å; F153-Q200 HydrophobicContact CB-CB 3.92Å; F153-Q200 HydrophobicContact CD1-CB 4.08Å; F153-Q200 HydrophobicContact CG-CB 3.92Å; F153-Q201 HydrophobicContact CD2-CB 3.86Å; F153-Q201 VanDerWaalsContact CE2-CA 3.46Å; F153-Q201 HydrophobicContact CE2-CB 3.44Å; F153-Q201 VanDerWaalsContact CE2-CB 3.44Å; F153-Q201 HydrophobicContact CE2-CG 3.78Å; F153-Q201 HydrophobicContact CZ-CB 4.18Å; F153-Q201 HydrophobicContact CZ-CG 4.44Å; F153-Y204 HydrophobicContact CE1-CG 4.17Å; F153-Y204 HydrophobicContact CZ-CD1 4.04Å; F153-Y204 HydrophobicContact CZ-CG 4.05Å |
| 154 | L | 91.6 | Very high | 88.9 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.5 | -173.6 | 66.4 | 0 | 0 | 0 | 110.9 | E151 Q157 M158 F241 I244 | E151-L154 HydrophobicContact CB-CB 4.3Å; L154-Q157 PolarHBondContact O-N 3.41Å; L154-M158 HydrophobicContact CD1-CG 4.18Å; L154-M158 HydrophobicContact CD1-SD 3.63Å; L154-M158 HydrophobicContact CG-SD 4.03Å; L154-M158 WeakPolarHBondContact O-CB 3.49Å; L154-M158 WeakPolarHBondContact O-CG 3.45Å; L154-M158 PolarHBondContact O-N 3.23Å; L154-F241 HydrophobicContact CB-CE2 4.18Å; L154-F241 HydrophobicContact CD2-CD2 4.06Å; L154-F241 HydrophobicContact CD2-CE2 4.01Å; L154-F241 HydrophobicContact CG-CD2 3.87Å; L154-F241 HydrophobicContact CG-CE2 3.92Å; L154-I244 HydrophobicContact CD2-CB 4.46Å; L154-I244 HydrophobicContact CD2-CG2 3.75Å |
| 155 | Y | 91.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.1 | -175.9 | -87.8 | 0 | 0 | 0 | 111.9 | D144 Q148 E151 F153 Q157 M158 V159 A160 M163 F241 | D144-Y155 HydrophobicContact CB-CE2 4.49Å; Q148-Y155 HydrophobicContact CB-CD1 4Å; Q148-Y155 HydrophobicContact CB-CD2 3.87Å; Q148-Y155 HydrophobicContact CB-CE1 4.17Å; Q148-Y155 HydrophobicContact CB-CE2 4.05Å; Q148-Y155 HydrophobicContact CB-CG 3.84Å; Q148-Y155 HydrophobicContact CG-CD1 3.64Å; Q148-Y155 HydrophobicContact CG-CD2 4.43Å; Q148-Y155 HydrophobicContact CG-CE1 3.91Å; Q148-Y155 HydrophobicContact CG-CG 3.92Å; E151-Y155 VanDerWaalsContact O-CB 3.27Å; E151-Y155 WeakPolarHBondContact O-CB 3.49Å; E151-Y155 PolarHBondContact O-N 3.28Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 3.02Å; Y155-Q157 PolarHBondContact O-N 2.8Å; Y155-M158 PolarHBondContact O-N 3.49Å; Y155-V159 HydrophobicContact CD1-CB 4.35Å; Y155-V159 HydrophobicContact CD2-CB 4.05Å; Y155-V159 HydrophobicContact CD2-CG1 4.48Å; Y155-V159 HydrophobicContact CD2-CG2 3.99Å; Y155-V159 HydrophobicContact CE1-CB 4.19Å; Y155-V159 HydrophobicContact CE1-CG1 4.21Å; Y155-V159 HydrophobicContact CE2-CB 3.88Å; Y155-V159 HydrophobicContact CE2-CG1 3.81Å; Y155-V159 HydrophobicContact CE2-CG2 4.03Å; Y155-V159 HydrophobicContact CG-CB 4.28Å; Y155-V159 WeakPolarHBondContact O-CA 3.32Å; Y155-V159 VanDerWaalsContact O-CB 3.3Å; Y155-V159 WeakPolarHBondContact O-CB 3.49Å; Y155-V159 PolarHBondContact O-N 2.91Å; Y155-A160 HydrophobicContact CD1-CB 4.29Å; Y155-A160 HydrophobicContact CE1-CB 4.22Å; Y155-A160 PolarHBondContact O-N 3.43Å; Y155-M163 VanDerWaalsContact OH-CE 3.27Å; Y155-M163 WeakPolarHBondContact OH-CE 3.49Å; Y155-F241 HydrophobicContact CD2-CD1 4.41Å; Y155-F241 AromaticContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE2 4.38Å; Y155-F241 AromaticContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CE2-CE1 4.4Å; Y155-F241 HydrophobicContact CG-CZ 4.31Å |
| 156 | D | 89.1 | Confident | 88.5 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 177.4 | -171 | 96.9 | 0 | 0 | 0 | 111.5 | P152 F153 A160 R161 K197 | P152-D156 WeakPolarHBondContact O-CB 3.41Å; P152-D156 PolarHBondContact O-N 3.03Å; F153-D156 WeakPolarHBondContact O-CB 3.31Å; F153-D156 PolarHBondContact O-N 3.25Å; D156-A160 PolarHBondContact O-N 2.73Å; D156-R161 WeakPolarHBondContact O-CB 3.32Å; D156-R161 PolarHBondContact O-N 3.38Å; D156-K197 HydrophobicContact CB-CD 4.05Å; D156-K197 IonicContact OD1-NZ 3.83Å; D156-K197 PolarHBondContact OD1-NZ 3.04Å; D156-K197 IonicContact OD2-NZ 2.85Å |
| 157 | Q | 88.7 | Confident | 88.3 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -179 | -176.1 | -177.1 | -23.9 | 0 | 0 | 113.2 | F153 L154 Y155 | F153-Q157 PolarHBondContact O-N 2.86Å; L154-Q157 PolarHBondContact O-N 3.41Å; Y155-Q157 PolarHBondContact O-N 2.8Å |
| 158 | M | 88.5 | Confident | 87.7 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -101.4 | -19 | -169.6 | -60.9 | -171.8 | 74.6 | 0 | 0 | 114.2 | L154 Y155 Y162 S237 D240 F241 I244 | L154-M158 HydrophobicContact CD1-CG 4.18Å; L154-M158 HydrophobicContact CD1-SD 3.63Å; L154-M158 HydrophobicContact CG-SD 4.03Å; L154-M158 WeakPolarHBondContact O-CB 3.49Å; L154-M158 WeakPolarHBondContact O-CG 3.45Å; L154-M158 PolarHBondContact O-N 3.23Å; Y155-M158 PolarHBondContact O-N 3.49Å; M158-Y162 WeakPolarHBondContact O-CD2 3.42Å; M158-S237 WeakPolarHBondContact CA-OG 3.36Å; M158-S237 WeakPolarHBondContact O-CB 3.22Å; M158-S237 PolarHBondContact O-OG 3.28Å; M158-D240 HydrophobicContact CE-CB 3.38Å; M158-F241 HydrophobicContact CB-CB 3.88Å; M158-F241 HydrophobicContact CB-CD2 4.27Å; M158-F241 HydrophobicContact CB-CG 4.43Å; M158-F241 HydrophobicContact CE-CB 4.23Å; M158-F241 HydrophobicContact SD-CB 4.07Å; M158-F241 HydrophobicContact SD-CD2 4.27Å; M158-I244 HydrophobicContact CE-CD1 3.87Å; M158-I244 HydrophobicContact SD-CD1 3.7Å |
| 159 | V | 90.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -61.5 | -175.3 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | Y155 R161 Y162 M163 F241 | Y155-V159 HydrophobicContact CD1-CB 4.35Å; Y155-V159 HydrophobicContact CD2-CB 4.05Å; Y155-V159 HydrophobicContact CD2-CG1 4.48Å; Y155-V159 HydrophobicContact CD2-CG2 3.99Å; Y155-V159 HydrophobicContact CE1-CB 4.19Å; Y155-V159 HydrophobicContact CE1-CG1 4.21Å; Y155-V159 HydrophobicContact CE2-CB 3.88Å; Y155-V159 HydrophobicContact CE2-CG1 3.81Å; Y155-V159 HydrophobicContact CE2-CG2 4.03Å; Y155-V159 HydrophobicContact CG-CB 4.28Å; Y155-V159 WeakPolarHBondContact O-CA 3.32Å; Y155-V159 VanDerWaalsContact O-CB 3.3Å; Y155-V159 WeakPolarHBondContact O-CB 3.49Å; Y155-V159 PolarHBondContact O-N 2.91Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 2.79Å; V159-Y162 PolarHBondContact O-N 3.12Å; V159-M163 HydrophobicContact CG1-CE 3.8Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 PolarHBondContact O-N 3.42Å; V159-F241 HydrophobicContact CG2-CB 4Å; V159-F241 HydrophobicContact CG2-CD1 3.84Å; V159-F241 HydrophobicContact CG2-CD2 4.48Å; V159-F241 HydrophobicContact CG2-CE1 4.49Å; V159-F241 HydrophobicContact CG2-CG 3.84Å |
| 160 | A | 87.2 | Confident | 87 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -62.7 | -36.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y155 D156 Y162 M163 | Y155-A160 HydrophobicContact CD1-CB 4.29Å; Y155-A160 HydrophobicContact CE1-CB 4.22Å; Y155-A160 PolarHBondContact O-N 3.43Å; D156-A160 PolarHBondContact O-N 2.73Å; A160-Y162 PolarHBondContact O-N 3.18Å; A160-Y162 VanDerWaalsContact O-N 3.17Å; A160-M163 WeakPolarHBondContact O-CB 3.28Å; A160-M163 PolarHBondContact O-N 3.4Å |
| 161 | R | 85.7 | Confident | 86.4 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -58.6 | -26.6 | 175.7 | -176.8 | 174.1 | 179 | -174.3 | -1.5 | 113.8 | D156 V159 L225 | D156-R161 WeakPolarHBondContact O-CB 3.32Å; D156-R161 PolarHBondContact O-N 3.38Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 2.79Å; R161-L225 VanDerWaalsContact NH1-CD1 3.27Å; R161-L225 VanDerWaalsContact NH2-CB 3.34Å |
| 162 | Y | 84.1 | Confident | 85.4 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -99.8 | 1.1 | 179.7 | -55.9 | -72.8 | 0 | 0 | 0 | 112.9 | M158 V159 A160 V229 K234 S237 | M158-Y162 WeakPolarHBondContact O-CD2 3.42Å; V159-Y162 PolarHBondContact O-N 3.12Å; A160-Y162 PolarHBondContact O-N 3.18Å; A160-Y162 VanDerWaalsContact O-N 3.17Å; Y162-V229 HydrophobicContact CD1-CB 4.14Å; Y162-V229 HydrophobicContact CD1-CG1 3.43Å; Y162-V229 VanDerWaalsContact CD1-CG1 3.43Å; Y162-V229 HydrophobicContact CD1-CG2 3.58Å; Y162-V229 HydrophobicContact CE1-CG1 4.17Å; Y162-V229 HydrophobicContact CE1-CG2 4.02Å; Y162-V229 HydrophobicContact CG-CG1 4.29Å; Y162-K234 WeakPolarHBondContact O-CD 3.35Å; Y162-K234 VanDerWaalsContact O-CE 3.32Å; Y162-K234 WeakPolarHBondContact O-CE 3.27Å; Y162-S237 WeakPolarHBondContact CE2-OG 3.46Å |
| 163 | M | 84.8 | Confident | 84.4 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -78.1 | 144.9 | 174.8 | -71.2 | -178.6 | 152.5 | 0 | 0 | 110.8 | Y155 V159 A160 E167 | Y155-M163 VanDerWaalsContact OH-CE 3.27Å; Y155-M163 WeakPolarHBondContact OH-CE 3.49Å; V159-M163 HydrophobicContact CG1-CE 3.8Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 PolarHBondContact O-N 3.42Å; A160-M163 WeakPolarHBondContact O-CB 3.28Å; A160-M163 PolarHBondContact O-N 3.4Å; M163-E167 WeakPolarHBondContact CA-OE2 3.36Å; M163-E167 HydrophobicContact CB-CB 4.34Å |
| 164 | T | 85.7 | Confident | 83 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | trans | -74.8 | 161.8 | 172.8 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | E166 E167 S168 | T164-E166 PolarHBondContact O-N 2.82Å; T164-E167 PolarHBondContact N-OE2 2.99Å; T164-E167 PolarHBondContact O-N 3.03Å; T164-E167 WeakPolarHBondContact OG1-CB 3.47Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.41Å; T164-E167 PolarHBondContact OG1-N 3.43Å; T164-E167 PolarHBondContact OG1-OE2 3.02Å; T164-S168 PolarHBondContact O-N 3.44Å; T164-S168 PolarHBondContact O-OG 3.42Å | ||
| 165 | E | 83.2 | Confident | 81.6 | Confident | 176 Ų | 176 | 80.9 Ų | 80.9 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.6 | -34.3 | 173.4 | -68.2 | -177.7 | 177.5 | 0 | 0 | 112 | S168 A169 | E165-S168 WeakPolarHBondContact CA-OG 3.36Å; E165-S168 PolarHBondContact O-OG 2.89Å; E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.34Å; E165-A169 PolarHBondContact O-N 3.4Å |
| 166 | E | 85.7 | Confident | 80.2 | Confident | 128 Ų | 128 | 88.6 Ų | 88.6 | 60% | 0.598 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.2 | -41.4 | 177.7 | -163.7 | -169.7 | 148.7 | 0 | 0 | 112.3 | T164 K170 | T164-E166 PolarHBondContact O-N 2.82Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 VanDerWaalsContact O-N 3.11Å; E166-K170 VanDerWaalsContact OE1-CE 3.32Å; E166-K170 WeakPolarHBondContact OE1-CE 3.4Å; E166-K170 IonicContact OE1-NZ 2.69Å; E166-K170 PolarHBondContact OE1-NZ 3.07Å |
| 167 | E | 85 | Confident | 79.2 | Confident | 70 Ų | 70 | 88.8 Ų | 88.8 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.5 | -73 | 166.6 | 165.4 | 0 | 0 | 111.7 | M163 T164 A169 K170 Q171 K234 | M163-E167 WeakPolarHBondContact CA-OE2 3.36Å; M163-E167 HydrophobicContact CB-CB 4.34Å; T164-E167 PolarHBondContact N-OE2 2.99Å; T164-E167 PolarHBondContact O-N 3.03Å; T164-E167 WeakPolarHBondContact OG1-CB 3.47Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.41Å; T164-E167 PolarHBondContact OG1-N 3.43Å; T164-E167 PolarHBondContact OG1-OE2 3.02Å; E167-A169 PolarHBondContact O-N 2.93Å; E167-K170 WeakPolarHBondContact O-CB 3.33Å; E167-K170 PolarHBondContact O-N 3.24Å; E167-Q171 PolarHBondContact O-N 3.26Å; E167-Q171 VanDerWaalsContact O-N 3.09Å; E167-K234 IonicContact OE1-NZ 3.15Å; E167-K234 PolarHBondContact OE1-NZ 3.12Å; E167-K234 IonicContact OE2-NZ 2.73Å; E167-K234 PolarHBondContact OE2-NZ 2.8Å |
| 168 | S | 81.4 | Confident | 78.4 | Confident | 47 Ų | 47 | 92 Ų | 92 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 177.2 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | T164 E165 Q171 L172 | T164-S168 PolarHBondContact O-N 3.44Å; T164-S168 PolarHBondContact O-OG 3.42Å; E165-S168 WeakPolarHBondContact CA-OG 3.36Å; E165-S168 PolarHBondContact O-OG 2.89Å; S168-Q171 WeakPolarHBondContact O-CB 3.42Å; S168-Q171 PolarHBondContact O-N 3.42Å; S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 3.49Å; S168-L172 VanDerWaalsContact O-N 3.1Å |
| 169 | A | 81.2 | Confident | 78.3 | Confident | 39 Ų | 39 | 93.9 Ų | 93.9 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E165 E167 Q171 L172 H173 | E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.34Å; E165-A169 PolarHBondContact O-N 3.4Å; E167-A169 PolarHBondContact O-N 2.93Å; A169-Q171 VanDerWaalsContact C-N 3.29Å; A169-Q171 PolarHBondContact O-N 3.12Å; A169-L172 PolarHBondContact O-N 3.34Å; A169-H173 PolarHBondContact O-CD2 3.06Å; A169-H173 PolarHBondContact O-N 3.38Å |
| 170 | K | 80.1 | Confident | 78.2 | Confident | 131 Ų | 131 | 99.7 Ų | 99.7 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 175.5 | -73.4 | 168.4 | -173.8 | 165 | 0 | 112 | E166 E167 H173 | E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 VanDerWaalsContact O-N 3.11Å; E166-K170 VanDerWaalsContact OE1-CE 3.32Å; E166-K170 WeakPolarHBondContact OE1-CE 3.4Å; E166-K170 IonicContact OE1-NZ 2.69Å; E166-K170 PolarHBondContact OE1-NZ 3.07Å; E167-K170 WeakPolarHBondContact O-CB 3.33Å; E167-K170 PolarHBondContact O-N 3.24Å; K170-H173 PolarHBondContact O-N 3.17Å |
| 171 | Q | 75.8 | Confident | 78.2 | Confident | 65 Ų | 65 | 101.5 Ų | 101.5 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 177.4 | -167 | 74.4 | -4.3 | 0 | 0 | 112.4 | N145 E167 S168 A169 | N145-Q171 PolarHBondContact OD1-NE2 3.09Å; E167-Q171 PolarHBondContact O-N 3.26Å; E167-Q171 VanDerWaalsContact O-N 3.09Å; S168-Q171 WeakPolarHBondContact O-CB 3.42Å; S168-Q171 PolarHBondContact O-N 3.42Å; A169-Q171 VanDerWaalsContact C-N 3.29Å; A169-Q171 PolarHBondContact O-N 3.12Å |
| 172 | L | 71.6 | Confident | 78.2 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 67% | 0.665 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.7 | -30.9 | 178.1 | -70.9 | 169.9 | 0 | 0 | 0 | 112.9 | S168 A169 T174 | S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 3.49Å; S168-L172 VanDerWaalsContact O-N 3.1Å; A169-L172 PolarHBondContact O-N 3.34Å; L172-T174 PolarHBondContact O-N 2.73Å |
| 173 | H | 68.3 | Low | 78.2 | Confident | 151 Ų | 151 | 96.8 Ų | 96.8 | 70% | 0.699 | 52% | 0.516 | S | S | * | . | trans | -79.5 | 59.9 | 175 | -73.8 | -61.6 | 0 | 0 | 0 | 111.1 | A169 K170 E175 | A169-H173 PolarHBondContact O-CD2 3.06Å; A169-H173 PolarHBondContact O-N 3.38Å; K170-H173 PolarHBondContact O-N 3.17Å; H173-E175 PolarHBondContact O-N 3.33Å | ||
| 174 | T | 64.3 | Low | 78.5 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | trans | -64.6 | 121.9 | 169.4 | -43.9 | 0 | 0 | 0 | 0 | 109.1 | L172 E176 | L172-T174 PolarHBondContact O-N 2.73Å; T174-E176 HydrophobicContact CG2-CB 4.13Å; T174-E176 HydrophobicContact CG2-CG 4.09Å; T174-E176 PolarHBondContact O-N 3.1Å | ||
| 175 | E | 61 | Low | 78.6 | Confident | 192 Ų | 192 | 101.4 Ų | 101.4 | 90% | 0.897 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -12.8 | -177.4 | -60 | -172.3 | 166.9 | 0 | 0 | 113.9 | H173 | H173-E175 PolarHBondContact O-N 3.33Š|
| 176 | E | 63.5 | Low | 78.6 | Confident | 164 Ų | 164 | 97.1 Ų | 97.1 | 77% | 0.766 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.2 | -170.1 | -62.2 | -175.7 | 159.7 | 0 | 0 | 114.6 | T174 T178 | T174-E176 HydrophobicContact CG2-CB 4.13Å; T174-E176 HydrophobicContact CG2-CG 4.09Å; T174-E176 PolarHBondContact O-N 3.1Å; E176-T178 PolarHBondContact O-N 3.32Å; E176-T178 VanDerWaalsContact O-N 3.08Å |
| 177 | I | 66.9 | Low | 78.7 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | trans | -87 | 86.9 | -174.7 | -48.3 | 178.5 | 0 | 0 | 0 | 110.9 | V183 H186 | I177-V183 HydrophobicContact CG2-CB 4.14Å; I177-V183 HydrophobicContact CG2-CG2 3.36Å; I177-H186 HydrophobicContact CD1-CB 3.97Å | ||
| 178 | T | 72.4 | Confident | 78.9 | Confident | 137 Ų | 137 | 96.2 Ų | 96.2 | 84% | 0.84 | 52% | 0.515 | S | S | * | . | trans | -100.2 | -13.4 | -178.8 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | E176 | E176-T178 PolarHBondContact O-N 3.32Å; E176-T178 VanDerWaalsContact O-N 3.08Å | ||
| 179 | S | 85.4 | Confident | 79.1 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -122.2 | 144.1 | -176.3 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | S181 G182 V183 | S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 3.26Å; S179-S181 PolarHBondContact OG-OG 3.46Å; S179-G182 WeakPolarHBondContact O-CA 3.29Å; S179-G182 PolarHBondContact O-N 2.92Å; S179-V183 PolarHBondContact O-N 2.9Å |
| 180 | L | 88.6 | Confident | 79.3 | Confident | 133 Ų | 133 | 98.5 Ų | 98.5 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53.8 | -37.6 | 174.1 | 175.5 | 62.3 | 0 | 0 | 0 | 112.4 | G182 V183 L184 | L180-G182 VanDerWaalsContact C-N 3.3Å; L180-G182 PolarHBondContact O-N 3.18Å; L180-V183 PolarHBondContact O-N 3.25Å; L180-L184 HydrophobicContact CG-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.38Å |
| 181 | S | 87.7 | Confident | 79.8 | Confident | 71 Ų | 71 | 96.9 Ų | 96.9 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 174.9 | 61 | 0 | 0 | 0 | 0 | 111.9 | S179 L184 L185 | S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 3.26Å; S179-S181 PolarHBondContact OG-OG 3.46Å; S181-L184 PolarHBondContact O-N 3.12Å; S181-L185 WeakPolarHBondContact O-CG 3.46Å; S181-L185 PolarHBondContact O-N 2.7Å |
| 182 | G | 85 | Confident | 80.5 | Confident | 25 Ų | 25 | 98.3 Ų | 98.3 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S179 L180 L184 L185 H186 | S179-G182 WeakPolarHBondContact O-CA 3.29Å; S179-G182 PolarHBondContact O-N 2.92Å; L180-G182 VanDerWaalsContact C-N 3.3Å; L180-G182 PolarHBondContact O-N 3.18Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-L184 PolarHBondContact O-N 3.08Å; G182-L185 PolarHBondContact O-N 2.94Å; G182-H186 VanDerWaalsContact O-CB 3.29Å; G182-H186 WeakPolarHBondContact O-CB 3.35Å; G182-H186 PolarHBondContact O-N 2.71Å |
| 183 | V | 85.5 | Confident | 81.2 | Confident | 73 Ų | 73 | 94.9 Ų | 94.9 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | I177 S179 L180 H186 L187 | I177-V183 HydrophobicContact CG2-CB 4.14Å; I177-V183 HydrophobicContact CG2-CG2 3.36Å; S179-V183 PolarHBondContact O-N 2.9Å; L180-V183 PolarHBondContact O-N 3.25Å; V183-H186 PolarHBondContact O-N 2.69Å; V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 PolarHBondContact O-N 3.35Å |
| 184 | L | 89.7 | Confident | 82.2 | Confident | 107 Ų | 107 | 90.7 Ų | 90.7 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.8 | -40.4 | -179.2 | -71.3 | 172.9 | 0 | 0 | 0 | 112.9 | L180 S181 G182 L187 H188 | L180-L184 HydrophobicContact CG-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 3.12Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-L184 PolarHBondContact O-N 3.08Å; L184-L187 PolarHBondContact O-N 2.94Å; L184-H188 WeakPolarHBondContact O-CB 3.44Å; L184-H188 PolarHBondContact O-N 2.86Å |
| 185 | L | 87.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 92 Ų | 92 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 174.8 | -70.9 | 173.8 | 0 | 0 | 0 | 111.1 | S181 G182 L187 H188 D189 | S181-L185 WeakPolarHBondContact O-CG 3.46Å; S181-L185 PolarHBondContact O-N 2.7Å; G182-L185 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.43Å; L185-H188 WeakPolarHBondContact O-CB 3.45Å; L185-H188 PolarHBondContact O-N 2.86Å; L185-H188 VanDerWaalsContact O-N 3.15Å; L185-D189 PolarHBondContact O-N 3.37Å |
| 186 | H | 84.5 | Confident | 84.8 | Confident | 86 Ų | 86 | 88.1 Ų | 88.1 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.5 | -177.5 | 76.4 | 0 | 0 | 0 | 112.1 | I177 G182 V183 H188 D189 S190 | I177-H186 HydrophobicContact CD1-CB 3.97Å; G182-H186 VanDerWaalsContact O-CB 3.29Å; G182-H186 WeakPolarHBondContact O-CB 3.35Å; G182-H186 PolarHBondContact O-N 2.71Å; V183-H186 PolarHBondContact O-N 2.69Å; H186-H188 VanDerWaalsContact C-N 3.34Å; H186-H188 PolarHBondContact O-N 3.37Å; H186-D189 PolarHBondContact O-N 3.22Å; H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.43Å; H186-S190 PolarHBondContact O-N 2.92Å |
| 187 | L | 86.5 | Confident | 86 | Confident | 94 Ų | 94 | 82 Ų | 82 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.6 | -178.4 | 66.3 | 0 | 0 | 0 | 111.3 | V183 L184 L185 S190 M191 | V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 PolarHBondContact O-N 3.35Å; L184-L187 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.43Å; L187-S190 PolarHBondContact O-N 3.48Å; L187-M191 HydrophobicContact CG-CE 4.41Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 2.99Å |
| 188 | H | 88.9 | Confident | 87.2 | Confident | 86 Ų | 86 | 82.8 Ų | 82.8 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 176.2 | 175.5 | -87.4 | 0 | 0 | 0 | 112 | L184 L185 H186 S190 M191 M192 | L184-H188 WeakPolarHBondContact O-CB 3.44Å; L184-H188 PolarHBondContact O-N 2.86Å; L185-H188 WeakPolarHBondContact O-CB 3.45Å; L185-H188 PolarHBondContact O-N 2.86Å; L185-H188 VanDerWaalsContact O-N 3.15Å; H186-H188 VanDerWaalsContact C-N 3.34Å; H186-H188 PolarHBondContact O-N 3.37Å; H188-S190 VanDerWaalsContact C-N 3.31Å; H188-S190 PolarHBondContact O-N 3.44Å; H188-M191 HydrophobicContact CB-CE 4.43Å; H188-M191 WeakPolarHBondContact O-CB 3.45Å; H188-M191 PolarHBondContact O-N 3.2Å; H188-M191 VanDerWaalsContact O-N 3.17Å; H188-M192 WeakPolarHBondContact NE2-CE 3.42Å; H188-M192 WeakPolarHBondContact O-CG 3.08Å; H188-M192 PolarHBondContact O-N 3.02Å |
| 189 | D | 87.3 | Confident | 88.1 | Confident | 91 Ų | 91 | 82.4 Ų | 82.4 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 178.7 | -65.7 | -11.4 | 0 | 0 | 0 | 111.4 | L185 H186 M191 M192 T193 | L185-D189 PolarHBondContact O-N 3.37Å; H186-D189 PolarHBondContact O-N 3.22Å; D189-M191 PolarHBondContact O-N 2.89Å; D189-M192 PolarHBondContact O-N 3.46Å; D189-T193 WeakPolarHBondContact O-CB 3.38Å; D189-T193 WeakPolarHBondContact O-CG2 3.18Å; D189-T193 PolarHBondContact O-N 2.88Å; D189-T193 PolarHBondContact O-OG1 3.29Å |
| 190 | S | 85.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | H186 L187 H188 T193 N194 | H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.43Å; H186-S190 PolarHBondContact O-N 2.92Å; L187-S190 PolarHBondContact O-N 3.48Å; H188-S190 VanDerWaalsContact C-N 3.31Å; H188-S190 PolarHBondContact O-N 3.44Å; S190-T193 WeakPolarHBondContact CA-OG1 3.37Å; S190-T193 PolarHBondContact O-OG1 3.5Å; S190-N194 VanDerWaalsContact O-CB 3.26Å; S190-N194 WeakPolarHBondContact O-CB 3.35Å; S190-N194 VanDerWaalsContact O-CG 3.23Å; S190-N194 PolarHBondContact O-N 3.07Å; S190-N194 PolarHBondContact O-ND2 3.29Å; S190-N194 PolarHBondContact OG-ND2 3.11Å |
| 191 | M | 90.3 | Very high | 88.4 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 174.9 | -72.6 | -175.5 | -61.8 | 0 | 0 | 111.5 | L187 H188 D189 N194 D195 | L187-M191 HydrophobicContact CG-CE 4.41Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 2.99Å; H188-M191 HydrophobicContact CB-CE 4.43Å; H188-M191 WeakPolarHBondContact O-CB 3.45Å; H188-M191 PolarHBondContact O-N 3.2Å; H188-M191 VanDerWaalsContact O-N 3.17Å; D189-M191 PolarHBondContact O-N 2.89Å; M191-N194 PolarHBondContact O-N 2.73Å; M191-D195 PolarHBondContact O-N 3.09Å |
| 192 | M | 89.6 | Confident | 88.7 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 179.4 | -66.3 | -62.9 | -180 | 0 | 0 | 112.1 | H188 D189 N194 D195 E196 | H188-M192 WeakPolarHBondContact NE2-CE 3.42Å; H188-M192 WeakPolarHBondContact O-CG 3.08Å; H188-M192 PolarHBondContact O-N 3.02Å; D189-M192 PolarHBondContact O-N 3.46Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 2.64Å; M192-D195 PolarHBondContact O-N 3.39Å; M192-E196 WeakPolarHBondContact O-CG 3.2Å; M192-E196 PolarHBondContact O-N 2.86Å |
| 193 | T | 86.8 | Confident | 89 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 34% | 0.337 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177 | 50 | 0 | 0 | 0 | 0 | 112.1 | D189 S190 E196 K197 | D189-T193 WeakPolarHBondContact O-CB 3.38Å; D189-T193 WeakPolarHBondContact O-CG2 3.18Å; D189-T193 PolarHBondContact O-N 2.88Å; D189-T193 PolarHBondContact O-OG1 3.29Å; S190-T193 WeakPolarHBondContact CA-OG1 3.37Å; S190-T193 PolarHBondContact O-OG1 3.5Å; T193-E196 PolarHBondContact O-N 3.28Å; T193-K197 WeakPolarHBondContact O-CB 3.46Å; T193-K197 PolarHBondContact O-N 3.34Å |
| 194 | N | 88.4 | Confident | 89.2 | Confident | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 174.2 | -79.2 | -43.1 | 0 | 0 | 0 | 112.5 | S190 M191 M192 E196 K197 N198 | S190-N194 VanDerWaalsContact O-CB 3.26Å; S190-N194 WeakPolarHBondContact O-CB 3.35Å; S190-N194 VanDerWaalsContact O-CG 3.23Å; S190-N194 PolarHBondContact O-N 3.07Å; S190-N194 PolarHBondContact O-ND2 3.29Å; S190-N194 PolarHBondContact OG-ND2 3.11Å; M191-N194 PolarHBondContact O-N 2.73Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 2.64Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-K197 WeakPolarHBondContact O-CB 3.48Å; N194-K197 PolarHBondContact O-N 2.86Å; N194-N198 WeakPolarHBondContact O-CB 3.41Å; N194-N198 PolarHBondContact O-N 3.06Å; N194-N198 PolarHBondContact O-ND2 2.89Å; N194-N198 PolarHBondContact O-OD1 3.36Å |
| 195 | D | 92.4 | Very high | 89.2 | Confident | 89 Ų | 89 | 86.4 Ų | 86.4 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.8 | -82.7 | -7.2 | 0 | 0 | 0 | 111.9 | M191 M192 N198 K199 | M191-D195 PolarHBondContact O-N 3.09Å; M192-D195 PolarHBondContact O-N 3.39Å; D195-N198 PolarHBondContact O-N 2.91Å; D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 3.49Å; D195-K199 VanDerWaalsContact O-N 3.12Å |
| 196 | E | 88.1 | Confident | 89.3 | Confident | 111 Ų | 111 | 88.6 Ų | 88.6 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 173.8 | -71.7 | 178.2 | 167.5 | 0 | 0 | 111.9 | M192 T193 N194 N198 K199 Q200 | M192-E196 WeakPolarHBondContact O-CG 3.2Å; M192-E196 PolarHBondContact O-N 2.86Å; T193-E196 PolarHBondContact O-N 3.28Å; N194-E196 VanDerWaalsContact C-N 3.34Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.21Å; E196-K199 PolarHBondContact O-N 3.27Å; E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3.42Å |
| 197 | K | 88.4 | Confident | 89.6 | Confident | 36 Ų | 36 | 89.6 Ų | 89.6 | 16% | 0.157 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.9 | -46.9 | 174.3 | -174 | 175.8 | 77.4 | 168.8 | 0 | 111.3 | F153 D156 T193 N194 K199 Q200 Q201 | F153-K197 HydrophobicContact CB-CG 4.01Å; F153-K197 HydrophobicContact CD2-CG 4.03Å; D156-K197 HydrophobicContact CB-CD 4.05Å; D156-K197 IonicContact OD1-NZ 3.83Å; D156-K197 PolarHBondContact OD1-NZ 3.04Å; D156-K197 IonicContact OD2-NZ 2.85Å; T193-K197 WeakPolarHBondContact O-CB 3.46Å; T193-K197 PolarHBondContact O-N 3.34Å; N194-K197 WeakPolarHBondContact O-CB 3.48Å; N194-K197 PolarHBondContact O-N 2.86Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3.49Å; K197-Q200 PolarHBondContact O-N 2.97Å; K197-Q201 WeakPolarHBondContact O-CB 3.39Å; K197-Q201 PolarHBondContact O-N 3.22Å |
| 198 | N | 91.4 | Very high | 89.5 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 40% | 0.401 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.1 | -69.5 | -21.5 | 0 | 0 | 0 | 111.7 | N194 D195 E196 Q201 D202 | N194-N198 WeakPolarHBondContact O-CB 3.41Å; N194-N198 PolarHBondContact O-N 3.06Å; N194-N198 PolarHBondContact O-ND2 2.89Å; N194-N198 PolarHBondContact O-OD1 3.36Å; D195-N198 PolarHBondContact O-N 2.91Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.21Å; N198-Q201 WeakPolarHBondContact O-CB 3.3Å; N198-Q201 PolarHBondContact O-N 2.86Å; N198-D202 PolarHBondContact O-N 3Å |
| 199 | K | 93.1 | Very high | 89.4 | Confident | 130 Ų | 130 | 91.7 Ų | 91.7 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 174.9 | -69.4 | 166.5 | -170.6 | 163.7 | 0 | 112 | D195 E196 K197 Q201 D202 I203 | D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 3.49Å; D195-K199 VanDerWaalsContact O-N 3.12Å; E196-K199 PolarHBondContact O-N 3.27Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3.49Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-D202 PolarHBondContact O-N 3.25Å; K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.36Å; K199-I203 PolarHBondContact O-N 2.8Å |
| 200 | Q | 90.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 33% | 0.327 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.4 | -72 | -178.7 | -16.8 | 0 | 0 | 111.4 | F153 E196 K197 I203 Y204 | F153-Q200 HydrophobicContact CB-CB 3.92Å; F153-Q200 HydrophobicContact CD1-CB 4.08Å; F153-Q200 HydrophobicContact CG-CB 3.92Å; E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3.42Å; K197-Q200 PolarHBondContact O-N 2.97Å; Q200-I203 PolarHBondContact O-N 3.13Å; Q200-Y204 WeakPolarHBondContact O-CB 3.49Å; Q200-Y204 PolarHBondContact O-N 3.38Å |
| 201 | Q | 90.4 | Very high | 89.2 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.1 | -177.5 | 174.2 | -28.5 | 0 | 0 | 111.9 | F153 K197 N198 K199 I203 Y204 Y205 | F153-Q201 HydrophobicContact CD2-CB 3.86Å; F153-Q201 VanDerWaalsContact CE2-CA 3.46Å; F153-Q201 HydrophobicContact CE2-CB 3.44Å; F153-Q201 VanDerWaalsContact CE2-CB 3.44Å; F153-Q201 HydrophobicContact CE2-CG 3.78Å; F153-Q201 HydrophobicContact CZ-CB 4.18Å; F153-Q201 HydrophobicContact CZ-CG 4.44Å; K197-Q201 WeakPolarHBondContact O-CB 3.39Å; K197-Q201 PolarHBondContact O-N 3.22Å; N198-Q201 WeakPolarHBondContact O-CB 3.3Å; N198-Q201 PolarHBondContact O-N 2.86Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-I203 VanDerWaalsContact C-N 3.35Å; Q201-I203 PolarHBondContact O-N 3.1Å; Q201-Y204 PolarHBondContact O-N 3.05Å; Q201-Y205 HydrophobicContact CG-CD2 3.64Å; Q201-Y205 HydrophobicContact CG-CE2 3.43Å; Q201-Y205 VanDerWaalsContact CG-CE2 3.43Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.43Å; Q201-Y205 PolarHBondContact O-N 2.83Å |
| 202 | D | 92.7 | Very high | 88.6 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 60% | 0.599 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 177.4 | -75.9 | -16.1 | 0 | 0 | 0 | 111.9 | N198 K199 R206 | N198-D202 PolarHBondContact O-N 3Å; K199-D202 PolarHBondContact O-N 3.25Å; D202-R206 WeakPolarHBondContact O-CB 3.48Å; D202-R206 PolarHBondContact O-N 2.99Å |
| 203 | I | 92.6 | Very high | 88.1 | Confident | 112 Ų | 112 | 96.1 Ų | 96.1 | 57% | 0.574 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 175.5 | -68.7 | 164.5 | 0 | 0 | 0 | 110.3 | K199 Q200 Q201 R206 Q207 | K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.36Å; K199-I203 PolarHBondContact O-N 2.8Å; Q200-I203 PolarHBondContact O-N 3.13Å; Q201-I203 VanDerWaalsContact C-N 3.35Å; Q201-I203 PolarHBondContact O-N 3.1Å; I203-R206 PolarHBondContact O-N 3.18Å; I203-Q207 WeakPolarHBondContact O-CB 3.4Å; I203-Q207 PolarHBondContact O-N 2.95Å |
| 204 | Y | 89 | Confident | 87.6 | Confident | 80 Ų | 80 | 100.2 Ų | 100.2 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 178.9 | 170.9 | -103.5 | 0 | 0 | 0 | 111.9 | F153 Q200 Q201 R206 Q207 K208 | F153-Y204 HydrophobicContact CE1-CG 4.17Å; F153-Y204 HydrophobicContact CZ-CD1 4.04Å; F153-Y204 HydrophobicContact CZ-CG 4.05Å; Q200-Y204 WeakPolarHBondContact O-CB 3.49Å; Q200-Y204 PolarHBondContact O-N 3.38Å; Q201-Y204 PolarHBondContact O-N 3.05Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 2.9Å; Y204-Q207 PolarHBondContact O-N 2.71Å; Y204-K208 WeakPolarHBondContact O-CB 3.29Å; Y204-K208 PolarHBondContact O-N 3.38Å |
| 205 | Y | 89.1 | Confident | 86.7 | Confident | 116 Ų | 116 | 100 Ų | 100 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 177.5 | -77.1 | -64.3 | 0 | 0 | 0 | 112.1 | Q201 K208 M209 | Q201-Y205 HydrophobicContact CG-CD2 3.64Å; Q201-Y205 HydrophobicContact CG-CE2 3.43Å; Q201-Y205 VanDerWaalsContact CG-CE2 3.43Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.43Å; Q201-Y205 PolarHBondContact O-N 2.83Å; Y205-K208 PolarHBondContact O-N 2.76Å; Y205-M209 WeakPolarHBondContact O-CB 3.3Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.19Å |
| 206 | R | 90.8 | Very high | 85.5 | Confident | 158 Ų | 158 | 102.3 Ų | 102.3 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 176.2 | -175.5 | 61.6 | -174.1 | 171.3 | 4.6 | 111.6 | D202 I203 Y204 M209 L210 | D202-R206 WeakPolarHBondContact O-CB 3.48Å; D202-R206 PolarHBondContact O-N 2.99Å; I203-R206 PolarHBondContact O-N 3.18Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 2.9Å; R206-M209 PolarHBondContact O-N 3.24Å; R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.41Å; R206-L210 VanDerWaalsContact O-N 3.11Å |
| 207 | Q | 89.2 | Confident | 84.2 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -48 | 176.3 | -177.7 | 177.8 | -17.9 | 0 | 0 | 111.2 | I203 Y204 M209 L210 E211 | I203-Q207 WeakPolarHBondContact O-CB 3.4Å; I203-Q207 PolarHBondContact O-N 2.95Å; Y204-Q207 PolarHBondContact O-N 2.71Å; Q207-M209 VanDerWaalsContact C-N 3.26Å; Q207-M209 PolarHBondContact O-N 3.29Å; Q207-L210 WeakPolarHBondContact O-CB 3.45Å; Q207-L210 PolarHBondContact O-N 3.3Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.38Å; Q207-E211 PolarHBondContact NE2-OE1 3.43Å; Q207-E211 PolarHBondContact O-N 2.68Å |
| 208 | K | 85.9 | Confident | 82.5 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | 177.7 | -171.1 | 173.5 | -178.3 | 176.3 | 0 | 112.3 | Y204 Y205 E211 R212 | Y204-K208 WeakPolarHBondContact O-CB 3.29Å; Y204-K208 PolarHBondContact O-N 3.38Å; Y205-K208 PolarHBondContact O-N 2.76Å; K208-E211 PolarHBondContact O-N 3.1Å; K208-R212 WeakPolarHBondContact O-CB 3.32Å; K208-R212 PolarHBondContact O-N 3.28Å |
| 209 | M | 86.2 | Confident | 80.8 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 174.7 | -72.5 | -69.8 | 178.3 | 0 | 0 | 113 | Y205 R206 Q207 N213 | Y205-M209 WeakPolarHBondContact O-CB 3.3Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.19Å; R206-M209 PolarHBondContact O-N 3.24Å; Q207-M209 VanDerWaalsContact C-N 3.26Å; Q207-M209 PolarHBondContact O-N 3.29Å; M209-N213 WeakPolarHBondContact O-CB 3.2Å; M209-N213 VanDerWaalsContact O-CG 3.26Å; M209-N213 PolarHBondContact O-N 2.97Å; M209-N213 PolarHBondContact O-ND2 3.46Å |
| 210 | L | 86.5 | Confident | 78.6 | Confident | 85 Ų | 85 | 109 Ų | 109 | 45% | 0.445 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 175 | -70 | 167.2 | 0 | 0 | 0 | 111.6 | R206 Q207 N213 N214 | R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.41Å; R206-L210 VanDerWaalsContact O-N 3.11Å; Q207-L210 WeakPolarHBondContact O-CB 3.45Å; Q207-L210 PolarHBondContact O-N 3.3Å; L210-N213 PolarHBondContact O-N 2.94Å; L210-N214 WeakPolarHBondContact O-CB 3.32Å; L210-N214 PolarHBondContact O-N 2.95Å |
| 211 | E | 82.2 | Confident | 76.9 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 174.8 | -70.7 | 171 | -170.7 | 0 | 0 | 111.4 | Q207 K208 N214 S215 | Q207-E211 WeakPolarHBondContact CG-OE1 3.38Å; Q207-E211 PolarHBondContact NE2-OE1 3.43Å; Q207-E211 PolarHBondContact O-N 2.68Å; K208-E211 PolarHBondContact O-N 3.1Å; E211-N214 PolarHBondContact O-N 2.96Å; E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.31Å |
| 212 | R | 78.3 | Confident | 74.8 | Confident | 102 Ų | 102 | 114.6 Ų | 114.6 | 39% | 0.385 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.6 | -42.7 | 172.7 | -171.9 | 84.2 | 169.2 | 165 | 0.4 | 112.2 | K208 N214 S215 E219 D220 | K208-R212 WeakPolarHBondContact O-CB 3.32Å; K208-R212 PolarHBondContact O-N 3.28Å; R212-N214 VanDerWaalsContact C-N 3.34Å; R212-S215 VanDerWaalsContact CA-OG 3.3Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.26Å; R212-S215 VanDerWaalsContact O-O 3.07Å; R212-S215 PolarHBondContact O-OG 2.61Å; R212-S215 VanDerWaalsContact O-OG 3.1Å; R212-E219 VanDerWaalsContact CZ-O 3.28Å; R212-E219 PolarHBondContact NH1-O 2.81Å; R212-E219 PolarHBondContact NH2-O 3Å; R212-D220 IonicContact NH2-OD1 3.64Å; R212-D220 PolarHBondContact NH2-OD1 2.99Å |
| 213 | N | 78.1 | Confident | 72.7 | Confident | 125 Ų | 125 | 114.8 Ų | 114.8 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.5 | -27.3 | 178.5 | -73.6 | -17.2 | 0 | 0 | 0 | 113.3 | M209 L210 | M209-N213 WeakPolarHBondContact O-CB 3.2Å; M209-N213 VanDerWaalsContact O-CG 3.26Å; M209-N213 PolarHBondContact O-N 2.97Å; M209-N213 PolarHBondContact O-ND2 3.46Å; L210-N213 PolarHBondContact O-N 2.94Å |
| 214 | N | 77 | Confident | 70.5 | Confident | 141 Ų | 141 | 113.6 Ų | 113.6 | 75% | 0.754 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -83 | -22.8 | 175.7 | -80.7 | -17 | 0 | 0 | 0 | 112.9 | L210 E211 R212 | L210-N214 WeakPolarHBondContact O-CB 3.32Å; L210-N214 PolarHBondContact O-N 2.95Å; E211-N214 PolarHBondContact O-N 2.96Å; R212-N214 VanDerWaalsContact C-N 3.34Å |
| 215 | S | 69.7 | Low | 68.6 | Low | 59 Ų | 59 | 114.9 Ų | 114.9 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -81.5 | 127.8 | 173.4 | 32.7 | 0 | 0 | 0 | 0 | 109.4 | E211 R212 D217 | E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.31Å; R212-S215 VanDerWaalsContact CA-OG 3.3Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.26Å; R212-S215 VanDerWaalsContact O-O 3.07Å; R212-S215 PolarHBondContact O-OG 2.61Å; R212-S215 VanDerWaalsContact O-OG 3.1Å; S215-D217 PolarHBondContact O-N 3.02Å |
| 216 | T | 67.1 | Low | 66.7 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 84% | 0.84 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -75.8 | -13.3 | -178.5 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | G218 | T216-G218 PolarHBondContact O-N 3.49Š|
| 217 | D | 60.4 | Low | 64.9 | Low | 132 Ų | 132 | 113.6 Ų | 113.6 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -95.6 | 80.9 | -177.7 | -59 | -39.2 | 0 | 0 | 0 | 110.5 | S215 E219 | S215-D217 PolarHBondContact O-N 3.02Å; D217-E219 PolarHBondContact O-N 2.85Å | ||
| 218 | G | 53.6 | Low | 63.2 | Low | 54 Ų | 54 | 118.6 Ų | 118.6 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | trans | -74.6 | 48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T216 D220 | T216-G218 PolarHBondContact O-N 3.49Å; G218-D220 PolarHBondContact O-N 2.67Å | ||
| 219 | E | 54 | Low | 61.8 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | trans | -78.8 | 111.3 | 176.2 | -67.9 | -142.2 | 172.5 | 0 | 0 | 110.6 | R212 D217 S221 | R212-E219 VanDerWaalsContact CZ-O 3.28Å; R212-E219 PolarHBondContact NH1-O 2.81Å; R212-E219 PolarHBondContact NH2-O 3Å; D217-E219 PolarHBondContact O-N 2.85Å; E219-S221 PolarHBondContact O-N 3.05Å; E219-S221 VanDerWaalsContact O-N 3.12Å | ||
| 220 | D | 48.3 | Very low | 60.7 | Low | 139 Ų | 139 | 114.8 Ų | 114.8 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -61.3 | 100.1 | 175 | -65 | -37.8 | 0 | 0 | 0 | 110.4 | R212 G218 | R212-D220 IonicContact NH2-OD1 3.64Å; R212-D220 PolarHBondContact NH2-OD1 2.99Å; G218-D220 PolarHBondContact O-N 2.67Å | ||
| 221 | S | 55 | Low | 59.8 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | trans | -107.7 | 83.1 | 156.7 | -167.8 | 0 | 0 | 0 | 0 | 106.4 | E219 D223 | E219-S221 PolarHBondContact O-N 3.05Å; E219-S221 VanDerWaalsContact O-N 3.12Å; S221-D223 PolarHBondContact O-N 3.38Å | ||
| 222 | D | 46.3 | Very low | 59.5 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 84% | 0.84 | 65% | 0.65 | S | S | * | * | trans | -64.3 | 57.8 | 154.5 | -80.1 | -27.2 | 0 | 0 | 0 | 108.2 | A224 | D222-A224 PolarHBondContact O-N 3.4Š| ||
| 223 | D | 47.5 | Very low | 59.6 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | trans | -72.9 | 83.5 | 170.3 | -148.6 | 16.5 | 0 | 0 | 0 | 104.9 | S221 L225 | S221-D223 PolarHBondContact O-N 3.38Å; D223-L225 PolarHBondContact O-N 2.9Å | ||
| 224 | A | 46.5 | Very low | 60 | Low | 88 Ų | 88 | 113 Ų | 113 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -52.6 | 86.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | D222 S226 | D222-A224 PolarHBondContact O-N 3.4Å; A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 WeakPolarHBondContact O-CA 3.49Å; A224-S226 PolarHBondContact O-N 2.94Å | ||
| 225 | L | 49.1 | Very low | 60.5 | Low | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | trans | -39.2 | 101.1 | -176 | -74.3 | 162.2 | 0 | 0 | 0 | 108 | R161 D223 D227 | R161-L225 VanDerWaalsContact NH1-CD1 3.27Å; R161-L225 VanDerWaalsContact NH2-CB 3.34Å; D223-L225 PolarHBondContact O-N 2.9Å; L225-D227 PolarHBondContact O-N 3.5Å; L225-D227 VanDerWaalsContact O-N 3.07Å | ||
| 226 | S | 48.9 | Very low | 61.5 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | trans | -56.8 | 115.4 | -173.8 | 155.9 | 0 | 0 | 0 | 0 | 107.3 | A224 R228 | A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 WeakPolarHBondContact O-CA 3.49Å; A224-S226 PolarHBondContact O-N 2.94Å; S226-R228 PolarHBondContact O-N 3.34Å | ||
| 227 | D | 52.6 | Low | 62.5 | Low | 153 Ų | 153 | 106.5 Ų | 106.5 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -69.3 | 33.2 | -170.1 | -149.9 | 20.8 | 0 | 0 | 0 | 113.9 | L225 | L225-D227 PolarHBondContact O-N 3.5Å; L225-D227 VanDerWaalsContact O-N 3.07Å |
| 228 | R | 53.9 | Low | 63.9 | Low | 211 Ų | 211 | 104.2 Ų | 104.2 | 80% | 0.796 | 57% | 0.565 | S | S | * | * | trans | -116.6 | 69.4 | 175.6 | -68.7 | -172.6 | 173.9 | 172 | 0 | 108.4 | S226 I230 | S226-R228 PolarHBondContact O-N 3.34Å; R228-I230 PolarHBondContact O-N 3.22Å; R228-I230 VanDerWaalsContact O-N 3.1Å | ||
| 229 | V | 56.3 | Low | 65.8 | Low | 58 Ų | 58 | 106.2 Ų | 106.2 | 35% | 0.352 | 56% | 0.56 | S | S | . | * | trans | -53 | 116.1 | 170.6 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | Y162 K234 | Y162-V229 HydrophobicContact CD1-CB 4.14Å; Y162-V229 HydrophobicContact CD1-CG1 3.43Å; Y162-V229 VanDerWaalsContact CD1-CG1 3.43Å; Y162-V229 HydrophobicContact CD1-CG2 3.58Å; Y162-V229 HydrophobicContact CE1-CG1 4.17Å; Y162-V229 HydrophobicContact CE1-CG2 4.02Å; Y162-V229 HydrophobicContact CG-CG1 4.29Å; V229-K234 HydrophobicContact CG1-CB 4.21Å | ||
| 230 | I | 63.8 | Low | 67.7 | Low | 86 Ų | 86 | 100.2 Ų | 100.2 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | trans | -75.9 | 136.6 | 172.7 | -55.1 | 174.1 | 0 | 0 | 0 | 106.6 | R228 D232 E233 K234 | R228-I230 PolarHBondContact O-N 3.22Å; R228-I230 VanDerWaalsContact O-N 3.1Å; I230-D232 HydrophobicContact CG2-CB 4.12Å; I230-D232 PolarHBondContact O-N 3.47Å; I230-E233 HydrophobicContact CB-CB 4.5Å; I230-E233 HydrophobicContact CB-CG 4.03Å; I230-E233 PolarHBondContact N-OE2 3.27Å; I230-E233 WeakPolarHBondContact O-CB 3.32Å; I230-E233 PolarHBondContact O-N 2.75Å; I230-K234 PolarHBondContact O-N 2.93Å | ||
| 231 | P | 66.9 | Low | 69.9 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 67% | 0.669 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -50.2 | -34.7 | 176.9 | -29.7 | 35.9 | 0 | 0 | 0 | 113.7 | E233 K234 E235 | P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.3Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 3.28Å; P231-E235 PolarHBondContact O-N 2.84Å |
| 232 | D | 75.6 | Confident | 71.8 | Confident | 128 Ų | 128 | 90.7 Ų | 90.7 | 68% | 0.684 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65 | -35.2 | 176.2 | -62 | -12 | 0 | 0 | 0 | 112.5 | I230 Q236 | I230-D232 HydrophobicContact CG2-CB 4.12Å; I230-D232 PolarHBondContact O-N 3.47Å; D232-Q236 WeakPolarHBondContact O-CB 3.32Å; D232-Q236 PolarHBondContact O-N 2.95Å |
| 233 | E | 82.1 | Confident | 74.1 | Confident | 96 Ų | 96 | 88.3 Ų | 88.3 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 176.2 | -68.3 | 173.6 | 161.7 | 0 | 0 | 111.7 | I230 P231 S237 | I230-E233 HydrophobicContact CB-CB 4.5Å; I230-E233 HydrophobicContact CB-CG 4.03Å; I230-E233 PolarHBondContact N-OE2 3.27Å; I230-E233 WeakPolarHBondContact O-CB 3.32Å; I230-E233 PolarHBondContact O-N 2.75Å; P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.3Å; E233-S237 WeakPolarHBondContact O-CB 3.3Å; E233-S237 PolarHBondContact O-N 3.42Å |
| 234 | K | 84.7 | Confident | 76.4 | Confident | 55 Ų | 55 | 85.2 Ų | 85.2 | 24% | 0.239 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 176 | 175.8 | -178.9 | -176.3 | 177.7 | 0 | 111 | Y162 E167 V229 I230 P231 S237 R238 | Y162-K234 WeakPolarHBondContact O-CD 3.35Å; Y162-K234 VanDerWaalsContact O-CE 3.32Å; Y162-K234 WeakPolarHBondContact O-CE 3.27Å; E167-K234 IonicContact OE1-NZ 3.15Å; E167-K234 PolarHBondContact OE1-NZ 3.12Å; E167-K234 IonicContact OE2-NZ 2.73Å; E167-K234 PolarHBondContact OE2-NZ 2.8Å; V229-K234 HydrophobicContact CG1-CB 4.21Å; I230-K234 PolarHBondContact O-N 2.93Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 3.28Å; K234-S237 PolarHBondContact O-N 2.8Å; K234-R238 PolarHBondContact O-N 3.11Å |
| 235 | E | 88.2 | Confident | 78.7 | Confident | 91 Ų | 91 | 81 Ų | 81 | 43% | 0.425 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | -179.8 | -168.1 | 60.6 | -142.4 | 0 | 0 | 110.8 | P231 S237 R238 E239 | P231-E235 PolarHBondContact O-N 2.84Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 2.96Å; E235-R238 WeakPolarHBondContact O-CB 3.47Å; E235-R238 PolarHBondContact O-N 3Å; E235-R238 VanDerWaalsContact O-N 3.1Å; E235-R238 IonicContact OE1-NH1 3.27Å; E235-E239 WeakPolarHBondContact O-CG 3.41Å; E235-E239 PolarHBondContact O-N 3.44Å |
| 236 | Q | 90.1 | Very high | 80.9 | Confident | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 178 | -171.2 | 61.9 | 59.4 | 0 | 0 | 112 | D232 R238 E239 D240 | D232-Q236 WeakPolarHBondContact O-CB 3.32Å; D232-Q236 PolarHBondContact O-N 2.95Å; Q236-R238 VanDerWaalsContact C-N 3.28Å; Q236-R238 PolarHBondContact O-N 3.39Å; Q236-E239 PolarHBondContact O-N 3Å; Q236-D240 PolarHBondContact NE2-OD1 3.31Å; Q236-D240 WeakPolarHBondContact O-CB 3.27Å; Q236-D240 PolarHBondContact O-N 3.26Å |
| 237 | S | 88 | Confident | 83.1 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -35 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | M158 Y162 E233 K234 E235 F241 | M158-S237 WeakPolarHBondContact CA-OG 3.36Å; M158-S237 WeakPolarHBondContact O-CB 3.22Å; M158-S237 PolarHBondContact O-OG 3.28Å; Y162-S237 WeakPolarHBondContact CE2-OG 3.46Å; E233-S237 WeakPolarHBondContact O-CB 3.3Å; E233-S237 PolarHBondContact O-N 3.42Å; K234-S237 PolarHBondContact O-N 2.8Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 2.96Å; S237-F241 WeakPolarHBondContact O-CB 3.41Å; S237-F241 PolarHBondContact O-N 3.46Å |
| 238 | R | 91.1 | Very high | 85 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 172.7 | -176.4 | 179.1 | 179.6 | -77.6 | -11.8 | 111.8 | D144 K234 E235 Q236 D240 F241 V242 | D144-R238 IonicContact OD1-CZ 3.59Å; D144-R238 IonicContact OD1-NE 3.56Å; D144-R238 IonicContact OD1-NH2 2.79Å; D144-R238 PolarHBondContact OD1-NH2 2.77Å; D144-R238 IonicContact OD2-NE 3.55Å; D144-R238 IonicContact OD2-NH2 3.53Å; D144-R238 PolarHBondContact OD2-NH2 2.72Å; K234-R238 PolarHBondContact O-N 3.11Å; E235-R238 WeakPolarHBondContact O-CB 3.47Å; E235-R238 PolarHBondContact O-N 3Å; E235-R238 VanDerWaalsContact O-N 3.1Å; E235-R238 IonicContact OE1-NH1 3.27Å; Q236-R238 VanDerWaalsContact C-N 3.28Å; Q236-R238 PolarHBondContact O-N 3.39Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 3.39Å; R238-F241 WeakPolarHBondContact O-CB 3.42Å; R238-F241 PolarHBondContact O-N 3.26Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.1Å |
| 239 | E | 93 | Very high | 87 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176.1 | -71.5 | -176.2 | 174.2 | 0 | 0 | 111.8 | E235 Q236 V242 R243 | E235-E239 WeakPolarHBondContact O-CG 3.41Å; E235-E239 PolarHBondContact O-N 3.44Å; Q236-E239 PolarHBondContact O-N 3Å; E239-V242 PolarHBondContact O-N 2.93Å; E239-R243 WeakPolarHBondContact O-CB 3.49Å; E239-R243 PolarHBondContact O-N 2.75Å |
| 240 | D | 93.5 | Very high | 88.8 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.4 | -69.4 | -5.3 | 0 | 0 | 0 | 111.4 | M158 Q236 R238 R243 I244 | M158-D240 HydrophobicContact CE-CB 3.38Å; Q236-D240 PolarHBondContact NE2-OD1 3.31Å; Q236-D240 WeakPolarHBondContact O-CB 3.27Å; Q236-D240 PolarHBondContact O-N 3.26Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 3.39Å; D240-R243 PolarHBondContact O-N 2.88Å; D240-R243 IonicContact OD1-CZ 3.31Å; D240-R243 IonicContact OD1-NH1 3.79Å; D240-R243 PolarHBondContact OD1-NH1 3.47Å; D240-R243 IonicContact OD1-NH2 3.05Å; D240-R243 PolarHBondContact OD1-NH2 2.92Å; D240-R243 IonicContact OD2-NH2 2.74Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.33Å; D240-I244 PolarHBondContact O-N 2.87Å |
| 241 | F | 94.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -51.2 | 173.7 | 173.9 | -103.1 | 0 | 0 | 0 | 111.3 | M147 L154 Y155 M158 V159 S237 R238 R243 I244 M245 | M147-F241 HydrophobicContact CB-CE1 3.7Å; M147-F241 HydrophobicContact CB-CZ 3.86Å; M147-F241 HydrophobicContact CE-CD1 4.47Å; M147-F241 HydrophobicContact CE-CE1 3.99Å; M147-F241 HydrophobicContact CG-CE1 4.39Å; M147-F241 HydrophobicContact SD-CE1 3.91Å; L154-F241 HydrophobicContact CB-CE2 4.18Å; L154-F241 HydrophobicContact CD2-CD2 4.06Å; L154-F241 HydrophobicContact CD2-CE2 4.01Å; L154-F241 HydrophobicContact CG-CD2 3.87Å; L154-F241 HydrophobicContact CG-CE2 3.92Å; Y155-F241 HydrophobicContact CD2-CD1 4.41Å; Y155-F241 AromaticContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE2 4.38Å; Y155-F241 AromaticContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CE2-CE1 4.4Å; Y155-F241 HydrophobicContact CG-CZ 4.31Å; M158-F241 HydrophobicContact CB-CB 3.88Å; M158-F241 HydrophobicContact CB-CD2 4.27Å; M158-F241 HydrophobicContact CB-CG 4.43Å; M158-F241 HydrophobicContact CE-CB 4.23Å; M158-F241 HydrophobicContact SD-CB 4.07Å; M158-F241 HydrophobicContact SD-CD2 4.27Å; V159-F241 HydrophobicContact CG2-CB 4Å; V159-F241 HydrophobicContact CG2-CD1 3.84Å; V159-F241 HydrophobicContact CG2-CD2 4.48Å; V159-F241 HydrophobicContact CG2-CE1 4.49Å; V159-F241 HydrophobicContact CG2-CG 3.84Å; S237-F241 WeakPolarHBondContact O-CB 3.41Å; S237-F241 PolarHBondContact O-N 3.46Å; R238-F241 WeakPolarHBondContact O-CB 3.42Å; R238-F241 PolarHBondContact O-N 3.26Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.95Å; F241-I244 PolarHBondContact O-N 3.03Å; F241-M245 HydrophobicContact CD1-CG 4.46Å; F241-M245 HydrophobicContact CE1-CG 4.02Å; F241-M245 HydrophobicContact CE2-CG 4.1Å; F241-M245 HydrophobicContact CE2-SD 4.23Å; F241-M245 HydrophobicContact CZ-CG 3.81Å; F241-M245 HydrophobicContact CZ-SD 4.16Å; F241-M245 WeakPolarHBondContact O-CG 3.46Å; F241-M245 PolarHBondContact O-N 3.32Å |
| 242 | V | 94.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | M147 R238 E239 M245 H246 | M147-V242 HydrophobicContact CE-CG2 4.09Å; M147-V242 HydrophobicContact SD-CG2 4.46Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.1Å; E239-V242 PolarHBondContact O-N 2.93Å; V242-M245 PolarHBondContact O-N 3.06Å; V242-H246 WeakPolarHBondContact CG1-CE1 3.47Å; V242-H246 VanDerWaalsContact O-CG 3.29Å; V242-H246 PolarHBondContact O-N 3.47Å |
| 243 | R | 95.2 | Very high | 92 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 41% | 0.408 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 176.2 | -177.8 | 175.7 | 63.4 | -106.6 | 2.3 | 111.8 | E239 D240 F241 M245 H246 E247 | E239-R243 WeakPolarHBondContact O-CB 3.49Å; E239-R243 PolarHBondContact O-N 2.75Å; D240-R243 PolarHBondContact O-N 2.88Å; D240-R243 IonicContact OD1-CZ 3.31Å; D240-R243 IonicContact OD1-NH1 3.79Å; D240-R243 PolarHBondContact OD1-NH1 3.47Å; D240-R243 IonicContact OD1-NH2 3.05Å; D240-R243 PolarHBondContact OD1-NH2 2.92Å; D240-R243 IonicContact OD2-NH2 2.74Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.95Å; R243-M245 VanDerWaalsContact C-N 3.31Å; R243-M245 PolarHBondContact O-N 3.38Å; R243-H246 WeakPolarHBondContact O-CB 3.19Å; R243-H246 PolarHBondContact O-N 3.23Å; R243-E247 WeakPolarHBondContact O-CG 3.28Å; R243-E247 PolarHBondContact O-N 3.27Å |
| 244 | I | 95 | Very high | 92.4 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 177.1 | -68.3 | 162.9 | 0 | 0 | 0 | 110.6 | L154 M158 D240 F241 H246 E247 R248 | L154-I244 HydrophobicContact CD2-CB 4.46Å; L154-I244 HydrophobicContact CD2-CG2 3.75Å; M158-I244 HydrophobicContact CE-CD1 3.87Å; M158-I244 HydrophobicContact SD-CD1 3.7Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.33Å; D240-I244 PolarHBondContact O-N 2.87Å; F241-I244 PolarHBondContact O-N 3.03Å; I244-H246 VanDerWaalsContact C-N 3.35Å; I244-H246 PolarHBondContact O-N 3.47Å; I244-E247 PolarHBondContact O-N 3.36Å; I244-R248 HydrophobicContact CG2-CG 4.44Å; I244-R248 WeakPolarHBondContact O-CB 3.46Å; I244-R248 WeakPolarHBondContact O-CG 3.48Å; I244-R248 PolarHBondContact O-N 3.04Å |
| 245 | M | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.1 | -66.8 | -55.4 | -66.1 | 0 | 0 | 111.7 | M147 E151 F241 V242 R243 R248 F249 | M147-M245 HydrophobicContact CB-CE 4.5Å; M147-M245 HydrophobicContact CG-CE 4.44Å; M147-M245 HydrophobicContact CG-CG 4.4Å; M147-M245 HydrophobicContact SD-CB 4.1Å; M147-M245 HydrophobicContact SD-CG 4Å; E151-M245 HydrophobicContact CB-CE 4.34Å; E151-M245 HydrophobicContact CB-SD 4.08Å; E151-M245 HydrophobicContact CG-CE 3.99Å; E151-M245 HydrophobicContact CG-SD 3.9Å; F241-M245 HydrophobicContact CD1-CG 4.46Å; F241-M245 HydrophobicContact CE1-CG 4.02Å; F241-M245 HydrophobicContact CE2-CG 4.1Å; F241-M245 HydrophobicContact CE2-SD 4.23Å; F241-M245 HydrophobicContact CZ-CG 3.81Å; F241-M245 HydrophobicContact CZ-SD 4.16Å; F241-M245 WeakPolarHBondContact O-CG 3.46Å; F241-M245 PolarHBondContact O-N 3.32Å; V242-M245 PolarHBondContact O-N 3.06Å; R243-M245 VanDerWaalsContact C-N 3.31Å; R243-M245 PolarHBondContact O-N 3.38Å; M245-R248 PolarHBondContact O-N 3.33Å; M245-F249 PolarHBondContact O-N 3.26Å |
| 246 | H | 95.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 173.6 | -68.7 | 164.3 | 0 | 0 | 0 | 112.4 | L132 I136 F142 V242 R243 I244 F249 L250 | L132-H246 HydrophobicContact CD1-CB 3.88Å; I136-H246 WeakPolarHBondContact CD1-NE2 3.05Å; F142-H246 AromaticContact CD1-CD2 3.78Å; F142-H246 AromaticContact CE1-CD2 3.63Å; F142-H246 AromaticContact CZ-CD2 3.92Å; V242-H246 WeakPolarHBondContact CG1-CE1 3.47Å; V242-H246 VanDerWaalsContact O-CG 3.29Å; V242-H246 PolarHBondContact O-N 3.47Å; R243-H246 WeakPolarHBondContact O-CB 3.19Å; R243-H246 PolarHBondContact O-N 3.23Å; I244-H246 VanDerWaalsContact C-N 3.35Å; I244-H246 PolarHBondContact O-N 3.47Å; H246-F249 PolarHBondContact O-N 2.85Å; H246-L250 WeakPolarHBondContact O-CG 3.35Å; H246-L250 PolarHBondContact O-N 3.46Å |
| 247 | E | 95.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.3 | -74.5 | 177.4 | -170.1 | 0 | 0 | 112.2 | R243 I244 F249 L250 S251 | R243-E247 WeakPolarHBondContact O-CG 3.28Å; R243-E247 PolarHBondContact O-N 3.27Å; I244-E247 PolarHBondContact O-N 3.36Å; E247-F249 VanDerWaalsContact C-N 3.35Å; E247-F249 PolarHBondContact O-N 2.96Å; E247-L250 PolarHBondContact O-N 2.99Å; E247-S251 WeakPolarHBondContact O-CB 3.2Å; E247-S251 PolarHBondContact O-N 3.23Å; E247-S251 PolarHBondContact O-OG 2.89Å |
| 248 | R | 93.5 | Very high | 93 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 174.5 | -79.6 | -179.7 | 159.1 | 179.6 | -10.8 | 111.5 | E151 I244 M245 L250 S251 G252 A253 | E151-R248 IonicContact OE1-CZ 2.99Å; E151-R248 IonicContact OE1-NH1 2.7Å; E151-R248 PolarHBondContact OE1-NH1 3.17Å; E151-R248 VanDerWaalsContact OE1-NH1 3.13Å; E151-R248 IonicContact OE2-CZ 3.94Å; E151-R248 IonicContact OE2-NH1 3.03Å; E151-R248 PolarHBondContact OE2-NH1 3Å; E151-R248 IonicContact OE2-NH2 3.3Å; I244-R248 HydrophobicContact CG2-CG 4.44Å; I244-R248 WeakPolarHBondContact O-CB 3.46Å; I244-R248 WeakPolarHBondContact O-CG 3.48Å; I244-R248 PolarHBondContact O-N 3.04Å; M245-R248 PolarHBondContact O-N 3.33Å; R248-L250 PolarHBondContact O-N 3.4Å; R248-S251 WeakPolarHBondContact CA-OG 3.44Å; R248-S251 PolarHBondContact O-N 3.23Å; R248-S251 PolarHBondContact O-OG 3.41Å; R248-G252 PolarHBondContact O-N 3.28Å; R248-A253 PolarHBondContact O-N 2.74Å |
| 249 | F | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.5 | -176.2 | -89.4 | 0 | 0 | 0 | 112.2 | R128 K131 L132 L135 Y141 F142 M245 H246 E247 S251 G252 F256 Y258 | R128-F249 HydrophobicContact CB-CE1 4.44Å; R128-F249 WeakPolarHBondContact O-CE1 3.2Å; K131-F249 HydrophobicContact CB-CE1 4.42Å; K131-F249 HydrophobicContact CB-CZ 4.33Å; K131-F249 HydrophobicContact CG-CZ 4.01Å; L132-F249 HydrophobicContact CB-CD1 3.75Å; L132-F249 HydrophobicContact CB-CE1 3.72Å; L132-F249 HydrophobicContact CD1-CB 4.29Å; L132-F249 HydrophobicContact CD1-CD1 3.76Å; L132-F249 HydrophobicContact CD1-CG 4.34Å; L132-F249 HydrophobicContact CG-CD1 4.23Å; L135-F249 HydrophobicContact CD1-CE2 3.67Å; L135-F249 HydrophobicContact CD1-CZ 3.63Å; Y141-F249 AromaticContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CE2 4.12Å; F142-F249 HydrophobicContact CE1-CB 4.49Å; F142-F249 HydrophobicContact CZ-CB 4.06Å; F142-F249 HydrophobicContact CZ-CD2 4.12Å; F142-F249 AromaticContact CZ-CG 3.98Å; F142-F249 HydrophobicContact CZ-CG 3.98Å; M245-F249 PolarHBondContact O-N 3.26Å; H246-F249 PolarHBondContact O-N 2.85Å; E247-F249 VanDerWaalsContact C-N 3.35Å; E247-F249 PolarHBondContact O-N 2.96Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 2.7Å; F249-G252 PolarHBondContact O-N 3.25Å; F249-F256 HydrophobicContact CE2-CB 4.25Å; F249-F256 HydrophobicContact CE2-CD1 4.04Å; F249-F256 AromaticContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CE1 4.46Å; F249-F256 HydrophobicContact CE2-CE2 4.36Å; F249-F256 AromaticContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CZ-CD1 4.44Å; F249-Y258 WeakPolarHBondContact CA-OH 3.38Å; F249-Y258 HydrophobicContact CD2-CE1 4.26Å; F249-Y258 HydrophobicContact CE2-CE1 4.18Å; F249-Y258 HydrophobicContact CZ-CE1 4.41Å; F249-Y258 VanDerWaalsContact O-CE1 3.22Å; F249-Y258 WeakPolarHBondContact O-CE1 3.49Å; F249-Y258 PolarHBondContact O-OH 2.98Å |
| 250 | L | 93.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 178.6 | -66.5 | 175.5 | 0 | 0 | 0 | 112.6 | R128 Y129 L132 H246 E247 R248 G252 | R128-L250 HydrophobicContact CB-CD2 4.2Å; R128-L250 WeakPolarHBondContact CD-O 3.41Å; R128-L250 PolarHBondContact NH1-O 3.3Å; R128-L250 VanDerWaalsContact NH1-O 3.12Å; Y129-L250 HydrophobicContact CD2-CD1 4.37Å; Y129-L250 HydrophobicContact CD2-CD2 4.16Å; L132-L250 HydrophobicContact CB-CD2 4.45Å; L132-L250 HydrophobicContact CD1-CD1 4.45Å; L132-L250 HydrophobicContact CD1-CD2 4.03Å; L132-L250 HydrophobicContact CD1-CG 3.94Å; H246-L250 WeakPolarHBondContact O-CG 3.35Å; H246-L250 PolarHBondContact O-N 3.46Å; E247-L250 PolarHBondContact O-N 2.99Å; R248-L250 PolarHBondContact O-N 3.4Å; L250-G252 PolarHBondContact O-N 3.49Å |
| 251 | S | 93 | Very high | 92.3 | Very high | 77 Ų | 77 | 59 Ų | 59 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.6 | -21 | 176.3 | 73 | 0 | 0 | 0 | 0 | 113.7 | R128 E247 R248 F249 A253 | R128-S251 PolarHBondContact NH1-O 3.09Å; R128-S251 VanDerWaalsContact NH1-O 3.07Å; E247-S251 WeakPolarHBondContact O-CB 3.2Å; E247-S251 PolarHBondContact O-N 3.23Å; E247-S251 PolarHBondContact O-OG 2.89Å; R248-S251 WeakPolarHBondContact CA-OG 3.44Å; R248-S251 PolarHBondContact O-N 3.23Å; R248-S251 PolarHBondContact O-OG 3.41Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 2.7Å; S251-A253 WeakPolarHBondContact OG-CB 3.5Å; S251-A253 PolarHBondContact OG-N 3.07Å |
| 252 | G | 91.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 20.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | R128 R248 F249 L250 Y258 | R128-G252 VanDerWaalsContact NH1-CA 3.27Å; R128-G252 VanDerWaalsContact NH1-N 3.19Å; R248-G252 PolarHBondContact O-N 3.28Å; F249-G252 PolarHBondContact O-N 3.25Å; L250-G252 PolarHBondContact O-N 3.49Å; G252-Y258 VanDerWaalsContact CA-CZ 3.42Å; G252-Y258 WeakPolarHBondContact O-CE2 3.29Å |
| 253 | A | 89.9 | Confident | 91.6 | Very high | 71 Ų | 71 | 66 Ų | 66 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | trans | -98.9 | -0.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R248 S251 | R248-A253 PolarHBondContact O-N 2.74Å; S251-A253 WeakPolarHBondContact OG-CB 3.5Å; S251-A253 PolarHBondContact OG-N 3.07Å | ||
| 254 | D | 90.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -88.1 | 163.1 | -179.5 | -147.5 | -27.4 | 0 | 0 | 0 | 112.3 | R150 F256 Y258 | R150-D254 IonicContact CZ-OD1 3.39Å; R150-D254 IonicContact CZ-OD2 3.78Å; R150-D254 IonicContact NH1-OD1 3.99Å; R150-D254 PolarHBondContact NH1-OD1 3.37Å; R150-D254 IonicContact NH1-OD2 2.71Å; R150-D254 PolarHBondContact NH1-OD2 3.5Å; D254-F256 VanDerWaalsContact C-N 3.28Å; D254-F256 PolarHBondContact O-N 3.43Å; D254-Y258 WeakPolarHBondContact CB-OH 3.5Å; D254-Y258 PolarHBondContact N-OH 2.92Å; D254-Y258 WeakPolarHBondContact O-CE2 3.34Å |
| 255 | D | 89.2 | Confident | 90.6 | Very high | 131 Ų | 131 | 64.3 Ų | 64.3 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -74.1 | 80 | 174.9 | -170.9 | 24 | 0 | 0 | 0 | 110.6 | Y141 R150 | Y141-D255 PolarHBondContact OH-O 3.37Å; R150-D255 HydrophobicContact CG-CB 4.47Å |
| 256 | F | 92.3 | Very high | 90.2 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -150.3 | 144.8 | -178.4 | -167.3 | -93.1 | 0 | 0 | 0 | 110.9 | L135 Y141 F249 D254 Y258 V261 | L135-F256 HydrophobicContact CD1-CE2 4.23Å; Y141-F256 HydrophobicContact CE1-CD2 4.44Å; Y141-F256 AromaticContact CE2-CD2 3.99Å; Y141-F256 HydrophobicContact CE2-CD2 3.99Å; Y141-F256 AromaticContact CZ-CD2 3.82Å; F249-F256 HydrophobicContact CE2-CB 4.25Å; F249-F256 HydrophobicContact CE2-CD1 4.04Å; F249-F256 AromaticContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CE1 4.46Å; F249-F256 HydrophobicContact CE2-CE2 4.36Å; F249-F256 AromaticContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CZ-CD1 4.44Å; D254-F256 VanDerWaalsContact C-N 3.28Å; D254-F256 PolarHBondContact O-N 3.43Å; F256-Y258 HydrophobicContact CB-CD2 4.48Å; F256-Y258 HydrophobicContact CB-CE1 4.31Å; F256-Y258 HydrophobicContact CB-CE2 3.92Å; F256-Y258 HydrophobicContact CD1-CD1 4.05Å; F256-Y258 HydrophobicContact CD1-CE1 4.11Å; F256-Y258 HydrophobicContact CD1-CG 4.31Å; F256-Y258 WeakPolarHBondContact O-CD2 3.24Å; F256-Y258 WeakPolarHBondContact O-CE2 3.32Å; F256-Y258 PolarHBondContact O-N 3.12Å; F256-Y258 VanDerWaalsContact O-N 3.11Å; F256-V261 HydrophobicContact CE1-CG2 3.72Å; F256-V261 HydrophobicContact CZ-CG2 4.24Å |
| 257 | D | 91.2 | Very high | 89.8 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | trans | -84.1 | 85.5 | 175 | -162.5 | 4.2 | 0 | 0 | 0 | 111.5 | R259 E260 | D257-R259 PolarHBondContact O-N 2.85Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 IonicContact OD1-CZ 2.67Å; D257-R259 IonicContact OD1-NE 3.3Å; D257-R259 PolarHBondContact OD1-NE 3.19Å; D257-R259 IonicContact OD1-NH2 2.85Å; D257-E260 PolarHBondContact O-N 2.88Å | ||
| 258 | Y | 92.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.9 | -177.8 | -64.9 | -79.5 | 0 | 0 | 0 | 114.4 | R128 F249 G252 D254 F256 E260 V261 D262 | R128-Y258 HydrophobicContact CG-CD1 4.25Å; F249-Y258 WeakPolarHBondContact CA-OH 3.38Å; F249-Y258 HydrophobicContact CD2-CE1 4.26Å; F249-Y258 HydrophobicContact CE2-CE1 4.18Å; F249-Y258 HydrophobicContact CZ-CE1 4.41Å; F249-Y258 VanDerWaalsContact O-CE1 3.22Å; F249-Y258 WeakPolarHBondContact O-CE1 3.49Å; F249-Y258 PolarHBondContact O-OH 2.98Å; G252-Y258 VanDerWaalsContact CA-CZ 3.42Å; G252-Y258 WeakPolarHBondContact O-CE2 3.29Å; D254-Y258 WeakPolarHBondContact CB-OH 3.5Å; D254-Y258 PolarHBondContact N-OH 2.92Å; D254-Y258 WeakPolarHBondContact O-CE2 3.34Å; F256-Y258 HydrophobicContact CB-CD2 4.48Å; F256-Y258 HydrophobicContact CB-CE1 4.31Å; F256-Y258 HydrophobicContact CB-CE2 3.92Å; F256-Y258 HydrophobicContact CD1-CD1 4.05Å; F256-Y258 HydrophobicContact CD1-CE1 4.11Å; F256-Y258 HydrophobicContact CD1-CG 4.31Å; F256-Y258 WeakPolarHBondContact O-CD2 3.24Å; F256-Y258 WeakPolarHBondContact O-CE2 3.32Å; F256-Y258 PolarHBondContact O-N 3.12Å; F256-Y258 VanDerWaalsContact O-N 3.11Å; Y258-E260 PolarHBondContact O-N 3.49Å; Y258-V261 PolarHBondContact O-N 3.34Å; Y258-D262 WeakPolarHBondContact O-CB 3.45Å; Y258-D262 PolarHBondContact O-N 3.23Å |
| 259 | R | 87.9 | Confident | 88.6 | Confident | 180 Ų | 180 | 64.8 Ų | 64.8 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.4 | -35.2 | 179.7 | -72.4 | -179.2 | -84.8 | -163.3 | -9 | 112.3 | D257 V261 | D257-R259 PolarHBondContact O-N 2.85Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 IonicContact OD1-CZ 2.67Å; D257-R259 IonicContact OD1-NE 3.3Å; D257-R259 PolarHBondContact OD1-NE 3.19Å; D257-R259 IonicContact OD1-NH2 2.85Å; R259-V261 PolarHBondContact O-N 2.9Å |
| 260 | E | 86.9 | Confident | 87.9 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.1 | -23.5 | 178.4 | -61.4 | -170.1 | 164.5 | 0 | 0 | 113.2 | D257 Y258 D264 | D257-E260 PolarHBondContact O-N 2.88Å; Y258-E260 PolarHBondContact O-N 3.49Å; E260-D264 WeakPolarHBondContact O-CB 3.43Å |
| 261 | V | 88.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -103.6 | -41.1 | -175.1 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | R127 R128 K131 F256 Y258 R259 E263 D264 Y267 | R127-V261 HydrophobicContact CB-CG1 4.22Å; R128-V261 HydrophobicContact CG-CG1 4.39Å; K131-V261 HydrophobicContact CB-CG1 3.79Å; K131-V261 HydrophobicContact CB-CG2 4.22Å; K131-V261 HydrophobicContact CD-CG2 4.01Å; K131-V261 HydrophobicContact CG-CG1 4.31Å; K131-V261 HydrophobicContact CG-CG2 3.8Å; F256-V261 HydrophobicContact CE1-CG2 3.72Å; F256-V261 HydrophobicContact CZ-CG2 4.24Å; Y258-V261 PolarHBondContact O-N 3.34Å; R259-V261 PolarHBondContact O-N 2.9Å; V261-E263 VanDerWaalsContact C-N 3.31Å; V261-E263 PolarHBondContact O-N 3.24Å; V261-D264 PolarHBondContact O-N 3.26Å; V261-Y267 HydrophobicContact CG1-CD2 4.12Å; V261-Y267 HydrophobicContact CG1-CG 4.26Å; V261-Y267 HydrophobicContact CG2-CE2 4.43Å |
| 262 | D | 90.4 | Very high | 87 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.2 | -33.8 | -174.6 | -71 | -2.8 | 0 | 0 | 0 | 111.7 | I124 R127 R128 Y258 | I124-D262 HydrophobicContact CG2-CB 4.47Å; I124-D262 WeakPolarHBondContact CG2-OD1 3.34Å; R127-D262 WeakPolarHBondContact CD-O 3.19Å; R127-D262 PolarHBondContact NH1-O 3.46Å; R128-D262 WeakPolarHBondContact CG-OD1 3.13Å; R128-D262 IonicContact CZ-OD1 3.82Å; R128-D262 IonicContact CZ-OD2 3.76Å; R128-D262 IonicContact NE-OD1 2.9Å; R128-D262 PolarHBondContact NE-OD1 3.03Å; R128-D262 IonicContact NE-OD2 3.24Å; R128-D262 IonicContact NH2-OD1 3.38Å; R128-D262 IonicContact NH2-OD2 3.93Å; R128-D262 PolarHBondContact NH2-OD2 2.93Å; Y258-D262 WeakPolarHBondContact O-CB 3.45Å; Y258-D262 PolarHBondContact O-N 3.23Å |
| 263 | E | 83.3 | Confident | 86.5 | Confident | 151 Ų | 151 | 75.4 Ų | 75.4 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -90.7 | -18.2 | -178.7 | -63.1 | -170.9 | 176.5 | 0 | 0 | 113.3 | R127 V261 P265 | R127-E263 VanDerWaalsContact NH1-C 3.29Å; R127-E263 PolarHBondContact NH1-O 3.22Å; V261-E263 VanDerWaalsContact C-N 3.31Å; V261-E263 PolarHBondContact O-N 3.24Å; E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.46Å |
| 264 | D | 85.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | trans | -85.5 | 114 | -173.4 | -176.1 | 0.1 | 0 | 0 | 0 | 112.6 | E260 V261 Q266 Y267 | E260-D264 WeakPolarHBondContact O-CB 3.43Å; V261-D264 PolarHBondContact O-N 3.26Å; D264-Q266 PolarHBondContact O-N 2.99Å; D264-Q266 VanDerWaalsContact OD1-CB 3.3Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.34Å; D264-Q266 VanDerWaalsContact OD1-CG 3.29Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.97Å; D264-Y267 HydrophobicContact CB-CD2 3.81Å; D264-Y267 HydrophobicContact CB-CE2 3.95Å; D264-Y267 PolarHBondContact O-N 2.95Å; D264-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y267 WeakPolarHBondContact OD2-CE2 3.34Å | ||
| 265 | P | 84.3 | Confident | 86.2 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -66.6 | -13.9 | 177.4 | -17.7 | 32.9 | 0 | 0 | 0 | 114.6 | E263 Y267 D268 | E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.46Å; P265-Y267 PolarHBondContact O-N 3.02Å; P265-D268 VanDerWaalsContact O-CB 3.27Å; P265-D268 WeakPolarHBondContact O-CB 3.34Å; P265-D268 PolarHBondContact O-N 3.35Å |
| 266 | Q | 86.6 | Confident | 86.1 | Confident | 167 Ų | 167 | 77.6 Ų | 77.6 | 78% | 0.78 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -64.5 | -20.9 | 177.4 | -65 | -172.6 | -42.4 | 0 | 0 | 112.9 | D264 | D264-Q266 PolarHBondContact O-N 2.99Å; D264-Q266 VanDerWaalsContact OD1-CB 3.3Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.34Å; D264-Q266 VanDerWaalsContact OD1-CG 3.29Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.97Å |
| 267 | Y | 85.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 81.6 Ų | 81.6 | 13% | 0.125 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -90.5 | 1.2 | 175.2 | -59.8 | -74.9 | 0 | 0 | 0 | 113.3 | R127 T130 K131 V261 D264 P265 A269 | R127-Y267 WeakPolarHBondContact CA-O 3.24Å; T130-Y267 WeakPolarHBondContact CB-O 3.36Å; T130-Y267 HydrophobicContact CG2-CD1 4.13Å; T130-Y267 PolarHBondContact OG1-O 3.15Å; K131-Y267 HydrophobicContact CB-CD1 4.34Å; K131-Y267 HydrophobicContact CB-CE1 4.4Å; K131-Y267 HydrophobicContact CD-CD1 4.33Å; K131-Y267 HydrophobicContact CD-CE1 3.58Å; K131-Y267 PolarHBondContact NZ-OH 3Å; V261-Y267 HydrophobicContact CG1-CD2 4.12Å; V261-Y267 HydrophobicContact CG1-CG 4.26Å; V261-Y267 HydrophobicContact CG2-CE2 4.43Å; D264-Y267 HydrophobicContact CB-CD2 3.81Å; D264-Y267 HydrophobicContact CB-CE2 3.95Å; D264-Y267 PolarHBondContact O-N 2.95Å; D264-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y267 WeakPolarHBondContact OD2-CE2 3.34Å; P265-Y267 PolarHBondContact O-N 3.02Å; Y267-A269 PolarHBondContact O-N 2.88Å |
| 268 | D | 84.6 | Confident | 85.8 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 20% | 0.198 | 40% | 0.404 | C | S | . | . | trans | -58.9 | 115.4 | 171.9 | -73.4 | -27.2 | 0 | 0 | 0 | 108.5 | R127 P265 L270 | R127-D268 IonicContact CZ-OD1 3.93Å; R127-D268 VanDerWaalsContact CZ-OD1 3.3Å; R127-D268 IonicContact CZ-OD2 3.81Å; R127-D268 IonicContact NE-OD1 3.13Å; R127-D268 PolarHBondContact NE-OD1 3.45Å; R127-D268 IonicContact NH2-OD1 2.8Å; R127-D268 PolarHBondContact NH2-OD1 2.99Å; R127-D268 IonicContact NH2-OD2 3.94Å; R127-D268 PolarHBondContact NH2-OD2 2.88Å; P265-D268 VanDerWaalsContact O-CB 3.27Å; P265-D268 WeakPolarHBondContact O-CB 3.34Å; P265-D268 PolarHBondContact O-N 3.35Å; D268-L270 HydrophobicContact CB-CD2 4.31Å; D268-L270 PolarHBondContact O-N 3.03Å | ||
| 269 | A | 79.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 86.5 Ų | 86.5 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | trans | -75.3 | 71.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y267 D271 L272 I273 | Y267-A269 PolarHBondContact O-N 2.88Å; A269-D271 PolarHBondContact O-N 2.94Å; A269-L272 HydrophobicContact CB-CB 3.93Å; A269-L272 HydrophobicContact CB-CD1 3.76Å; A269-L272 HydrophobicContact CB-CG 4Å; A269-L272 PolarHBondContact O-N 3.09Å; A269-I273 WeakPolarHBondContact O-CG1 3.28Å; A269-I273 PolarHBondContact O-N 3.05Å | ||
| 270 | L | 80.9 | Confident | 85.7 | Confident | 120 Ų | 120 | 87 Ų | 87 | 63% | 0.628 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -53.2 | -40.5 | -175.4 | -61.9 | -179.1 | 0 | 0 | 0 | 111.7 | D268 L272 I273 E274 | D268-L270 HydrophobicContact CB-CD2 4.31Å; D268-L270 PolarHBondContact O-N 3.03Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.33Å; L270-I273 HydrophobicContact CD2-CD1 4.49Å; L270-I273 PolarHBondContact O-N 3.11Å; L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.27Å |
| 271 | D | 83.6 | Confident | 85.6 | Confident | 131 Ų | 131 | 88.2 Ų | 88.2 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -41.4 | 177.1 | -53.4 | -16 | 0 | 0 | 0 | 112.3 | A269 V275 | A269-D271 PolarHBondContact O-N 2.94Å; D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3.4Å |
| 272 | L | 82.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 94 Ų | 94 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 176.8 | -66.4 | 178.6 | 0 | 0 | 0 | 111 | Y129 A269 L270 E274 V275 D276 | Y129-L272 HydrophobicContact CD1-CD1 3.91Å; Y129-L272 HydrophobicContact CE1-CD1 4.06Å; A269-L272 HydrophobicContact CB-CB 3.93Å; A269-L272 HydrophobicContact CB-CD1 3.76Å; A269-L272 HydrophobicContact CB-CG 4Å; A269-L272 PolarHBondContact O-N 3.09Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.33Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 3.1Å; L272-V275 PolarHBondContact O-N 2.84Å; L272-D276 WeakPolarHBondContact O-CB 3.49Å; L272-D276 VanDerWaalsContact O-CG 3.23Å; L272-D276 PolarHBondContact O-N 3.4Å |
| 273 | I | 82.4 | Confident | 85.2 | Confident | 50 Ų | 50 | 98.5 Ų | 98.5 | 26% | 0.256 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 178.4 | -65.4 | 165.1 | 0 | 0 | 0 | 110.4 | A269 L270 D276 E277 | A269-I273 WeakPolarHBondContact O-CG1 3.28Å; A269-I273 PolarHBondContact O-N 3.05Å; L270-I273 HydrophobicContact CD2-CD1 4.49Å; L270-I273 PolarHBondContact O-N 3.11Å; I273-D276 PolarHBondContact O-N 2.88Å; I273-E277 WeakPolarHBondContact O-CB 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.44Å; I273-E277 PolarHBondContact O-N 3.45Å |
| 274 | E | 86.1 | Confident | 85 | Confident | 111 Ų | 111 | 94 Ų | 94 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.5 | -165.3 | -169.4 | 156.9 | 0 | 0 | 111.1 | L270 L272 E277 Q278 | L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.27Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 3.1Å; E274-E277 PolarHBondContact O-N 2.97Å; E274-Q278 VanDerWaalsContact O-CG 3.25Å; E274-Q278 WeakPolarHBondContact O-CG 3.29Å; E274-Q278 PolarHBondContact O-N 3.27Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å |
| 275 | V | 86.9 | Confident | 84.6 | Confident | 66 Ų | 66 | 93.5 Ų | 93.5 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | D271 L272 E277 Q278 E279 | D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3.4Å; L272-V275 PolarHBondContact O-N 2.84Å; V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.45Å; V275-Q278 WeakPolarHBondContact O-CB 3.42Å; V275-Q278 PolarHBondContact O-N 2.97Å; V275-Q278 VanDerWaalsContact O-N 3.11Å; V275-E279 HydrophobicContact CG1-CG 4.35Å; V275-E279 WeakPolarHBondContact O-CG 3.32Å; V275-E279 PolarHBondContact O-N 3.48Å |
| 276 | D | 86.3 | Confident | 84.1 | Confident | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 176.4 | -69.6 | -13.7 | 0 | 0 | 0 | 111.4 | L272 I273 R280 | L272-D276 WeakPolarHBondContact O-CB 3.49Å; L272-D276 VanDerWaalsContact O-CG 3.23Å; L272-D276 PolarHBondContact O-N 3.4Å; I273-D276 PolarHBondContact O-N 2.88Å; D276-R280 VanDerWaalsContact O-CB 3.28Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.49Å |
| 277 | E | 87.1 | Confident | 83.3 | Confident | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 175 | -76.4 | -177.8 | -179.8 | 0 | 0 | 112.2 | I273 E274 V275 R280 Y281 | I273-E277 WeakPolarHBondContact O-CB 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.44Å; I273-E277 PolarHBondContact O-N 3.45Å; E274-E277 PolarHBondContact O-N 2.97Å; V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.45Å; E277-R280 PolarHBondContact O-N 3.17Å; E277-Y281 WeakPolarHBondContact O-CB 3.37Å; E277-Y281 PolarHBondContact O-N 3.15Å |
| 278 | Q | 90.4 | Very high | 82.1 | Confident | 86 Ų | 86 | 100.4 Ų | 100.4 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.6 | -71.1 | 171.9 | 27.7 | 0 | 0 | 111.4 | E274 V275 R280 Y281 F282 | E274-Q278 VanDerWaalsContact O-CG 3.25Å; E274-Q278 WeakPolarHBondContact O-CG 3.29Å; E274-Q278 PolarHBondContact O-N 3.27Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å; V275-Q278 WeakPolarHBondContact O-CB 3.42Å; V275-Q278 PolarHBondContact O-N 2.97Å; V275-Q278 VanDerWaalsContact O-N 3.11Å; Q278-R280 VanDerWaalsContact C-N 3.3Å; Q278-R280 PolarHBondContact O-N 3.49Å; Q278-Y281 WeakPolarHBondContact O-CA 3.23Å; Q278-Y281 WeakPolarHBondContact O-CB 3.42Å; Q278-Y281 PolarHBondContact O-N 2.98Å; Q278-F282 HydrophobicContact CB-CE2 4.3Å; Q278-F282 WeakPolarHBondContact O-CD2 3.43Å; Q278-F282 PolarHBondContact O-N 3.49Å |
| 279 | E | 88.9 | Confident | 80.9 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 177.1 | -73.3 | -174.1 | 175.2 | 0 | 0 | 111.1 | V275 Y281 F282 E283 | V275-E279 HydrophobicContact CG1-CG 4.35Å; V275-E279 WeakPolarHBondContact O-CG 3.32Å; V275-E279 PolarHBondContact O-N 3.48Å; E279-Y281 VanDerWaalsContact C-N 3.29Å; E279-Y281 PolarHBondContact O-N 2.91Å; E279-F282 PolarHBondContact O-N 2.91Å; E279-E283 WeakPolarHBondContact O-CG 3.21Å; E279-E283 PolarHBondContact O-N 3.48Å |
| 280 | R | 88.8 | Confident | 79.7 | Confident | 191 Ų | 191 | 113.3 Ų | 113.3 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -34.6 | 176.2 | -170.1 | 178 | 178.8 | -166.9 | -1.6 | 112.8 | D276 E277 Q278 S284 | D276-R280 VanDerWaalsContact O-CB 3.28Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.49Å; E277-R280 PolarHBondContact O-N 3.17Å; Q278-R280 VanDerWaalsContact C-N 3.3Å; Q278-R280 PolarHBondContact O-N 3.49Å; R280-S284 PolarHBondContact O-N 2.91Å; R280-S284 PolarHBondContact O-OG 3.46Å |
| 281 | Y | 85.4 | Confident | 79.6 | Confident | 156 Ų | 156 | 113 Ų | 113 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -43.4 | 173.9 | 177.1 | -101.3 | 0 | 0 | 0 | 111.7 | E277 Q278 E279 S284 S285 | E277-Y281 WeakPolarHBondContact O-CB 3.37Å; E277-Y281 PolarHBondContact O-N 3.15Å; Q278-Y281 WeakPolarHBondContact O-CA 3.23Å; Q278-Y281 WeakPolarHBondContact O-CB 3.42Å; Q278-Y281 PolarHBondContact O-N 2.98Å; E279-Y281 VanDerWaalsContact C-N 3.29Å; E279-Y281 PolarHBondContact O-N 2.91Å; Y281-S284 PolarHBondContact O-N 3.44Å; Y281-S284 PolarHBondContact O-OG 3.41Å; Y281-S285 WeakPolarHBondContact O-CB 3.34Å; Y281-S285 PolarHBondContact O-N 3.04Å; Y281-S285 PolarHBondContact O-OG 3.02Å |
| 282 | F | 85.5 | Confident | 79.4 | Confident | 122 Ų | 122 | 112.1 Ų | 112.1 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -45.9 | 176.2 | -70.3 | -64.9 | 0 | 0 | 0 | 112.1 | Q278 E279 S284 S285 D286 | Q278-F282 HydrophobicContact CB-CE2 4.3Å; Q278-F282 WeakPolarHBondContact O-CD2 3.43Å; Q278-F282 PolarHBondContact O-N 3.49Å; E279-F282 PolarHBondContact O-N 2.91Å; F282-S284 PolarHBondContact O-N 2.98Å; F282-S285 PolarHBondContact O-N 3.36Å; F282-D286 PolarHBondContact O-N 3.31Å |
| 283 | E | 84.9 | Confident | 79.2 | Confident | 121 Ų | 121 | 114.8 Ų | 114.8 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.2 | -28.3 | 178.5 | -75.3 | -170.3 | 173.7 | 0 | 0 | 114.2 | E279 K287 | E279-E283 WeakPolarHBondContact O-CG 3.21Å; E279-E283 PolarHBondContact O-N 3.48Å; E283-K287 WeakPolarHBondContact O-CD 3.45Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å |
| 284 | S | 80.1 | Confident | 79 | Confident | 56 Ų | 56 | 118.6 Ų | 118.6 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -83.1 | -36.5 | 176.4 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | R280 Y281 F282 K287 E288 | R280-S284 PolarHBondContact O-N 2.91Å; R280-S284 PolarHBondContact O-OG 3.46Å; Y281-S284 PolarHBondContact O-N 3.44Å; Y281-S284 PolarHBondContact O-OG 3.41Å; F282-S284 PolarHBondContact O-N 2.98Å; S284-K287 PolarHBondContact O-N 2.88Å; S284-E288 PolarHBondContact O-N 3.22Å |
| 285 | S | 75.4 | Confident | 78.6 | Confident | 31 Ų | 31 | 119.1 Ų | 119.1 | 22% | 0.217 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -65.9 | -42.8 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | Y281 F282 K287 E288 E289 | Y281-S285 WeakPolarHBondContact O-CB 3.34Å; Y281-S285 PolarHBondContact O-N 3.04Å; Y281-S285 PolarHBondContact O-OG 3.02Å; F282-S285 PolarHBondContact O-N 3.36Å; S285-K287 PolarHBondContact O-N 3.48Å; S285-E288 PolarHBondContact O-N 3.01Å; S285-E289 PolarHBondContact O-N 3.43Å |
| 286 | D | 75 | Confident | 78 | Confident | 106 Ų | 106 | 122.7 Ų | 122.7 | 57% | 0.567 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62 | -25.7 | 177.5 | -70.4 | -10.8 | 0 | 0 | 0 | 112.7 | F282 | F282-D286 PolarHBondContact O-N 3.31Å |
| 287 | K | 68.3 | Low | 77.4 | Confident | 147 Ų | 147 | 125.4 Ų | 125.4 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.6 | -22.2 | 175.6 | -71.5 | 171.7 | -172 | 157.7 | 0 | 113.4 | E283 S284 S285 | E283-K287 WeakPolarHBondContact O-CD 3.45Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; S284-K287 PolarHBondContact O-N 2.88Å; S285-K287 PolarHBondContact O-N 3.48Å |
| 288 | E | 61.7 | Low | 76.7 | Confident | 175 Ų | 175 | 124.8 Ų | 124.8 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.2 | -24.9 | 175 | -70.8 | -172.3 | 176.4 | 0 | 0 | 111.8 | S284 S285 | S284-E288 PolarHBondContact O-N 3.22Å; S285-E288 PolarHBondContact O-N 3.01Å |
| 289 | E | 59.1 | Low | 75.5 | Confident | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 63% | 0.632 | S | S | * | * | trans | -86 | -11.6 | 176.8 | -65.4 | -165.8 | 171.1 | 0 | 0 | 114.4 | S285 | S285-E289 PolarHBondContact O-N 3.43Š| ||
| 290 | A | 53.4 | Low | 74.3 | Confident | 140 Ų | 140 | 129.5 Ų | 129.5 | 100% | 1.157 | 64% | 0.642 | S | S | * | * | trans | -99 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 290 of 290 residues in 710.7 ms
(Link to these results)