| 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 | 44 | Very low | 43.6 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 100% | 1.222 | 77% | 0.771 | S | S | * | * | 0 | 71.3 | 0 | -73.6 | -173.5 | -173.6 | 0 | 0 | 107.5 | |||||
| 2 | E | 35.4 | Very low | 43.8 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 122.2 | 175.8 | -88.4 | 163.7 | 148.6 | 0 | 0 | 108.3 | Y4 | E2-Y4 PolarHBondContact O-N 2.66Š| ||
| 3 | G | 38.6 | Very low | 44 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -67.1 | 123.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G5 | G3-G5 PolarHBondContact O-N 2.94Š| ||
| 4 | Y | 38.6 | Very low | 43.9 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -69.6 | 81.6 | 159.7 | -85.4 | -93.2 | 0 | 0 | 0 | 108.8 | E2 K6 | E2-Y4 PolarHBondContact O-N 2.66Å; Y4-K6 VanDerWaalsContact C-N 3.35Å; Y4-K6 PolarHBondContact O-N 2.99Å; Y4-K6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | G | 40.9 | Very low | 44 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 97.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | G3 D7 | G3-G5 PolarHBondContact O-N 2.94Å; G5-D7 VanDerWaalsContact C-N 3.33Å; G5-D7 PolarHBondContact O-N 2.87Å | ||
| 6 | K | 47.4 | Very low | 44.1 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -69.9 | 94.3 | 172.8 | -144 | 178.3 | -171.1 | -176.8 | 0 | 106.8 | Y4 I8 | Y4-K6 VanDerWaalsContact C-N 3.35Å; Y4-K6 PolarHBondContact O-N 2.99Å; Y4-K6 VanDerWaalsContact O-N 3.1Å; K6-I8 PolarHBondContact O-N 2.92Å | ||
| 7 | D | 41 | Very low | 44.5 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -62.4 | 97.4 | 171.4 | -87.2 | -40 | 0 | 0 | 0 | 108.9 | G5 S9 | G5-D7 VanDerWaalsContact C-N 3.33Å; G5-D7 PolarHBondContact O-N 2.87Å; D7-S9 PolarHBondContact O-N 3.43Å | ||
| 8 | I | 49.8 | Very low | 45.2 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 46% | 0.462 | 70% | 0.696 | S | S | . | * | trans | -68.2 | 117.9 | 173.1 | -63 | 165.7 | 0 | 0 | 0 | 107.3 | K6 E12 K13 | K6-I8 PolarHBondContact O-N 2.92Å; I8-E12 HydrophobicContact CG2-CB 3.91Å; I8-K13 HydrophobicContact CG2-CG 4.3Å | ||
| 9 | S | 44.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 49% | 0.49 | 68% | 0.683 | S | S | . | * | trans | -58 | 143.1 | -178.2 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | D7 K11 E12 | D7-S9 PolarHBondContact O-N 3.43Å; S9-K11 PolarHBondContact O-N 3.31Å; S9-E12 PolarHBondContact O-N 2.98Å | ||
| 10 | P | 52.3 | Low | 46.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -52.7 | -26.3 | -177.4 | -26.6 | 32.9 | 0 | 0 | 0 | 115 | E14 | P10-E14 PolarHBondContact O-N 3.48Å |
| 11 | K | 46.4 | Very low | 47.3 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 68% | 0.683 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.5 | -23.5 | -179.8 | -73.8 | -172.1 | 172.8 | -178.3 | 0 | 114.9 | S9 R15 | S9-K11 PolarHBondContact O-N 3.31Å; K11-R15 WeakPolarHBondContact O-CG 3.45Å |
| 12 | E | 46.6 | Very low | 48.5 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 54% | 0.537 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -81.2 | -36.7 | 176.4 | -88.6 | 175.4 | 159.2 | 0 | 0 | 111.6 | I8 S9 E14 R15 E16 | I8-E12 HydrophobicContact CG2-CB 3.91Å; S9-E12 PolarHBondContact O-N 2.98Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E12-R15 PolarHBondContact O-N 3.38Å; E12-E16 PolarHBondContact O-N 2.92Å |
| 13 | K | 46 | Very low | 50.2 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.9 | -36 | 174.5 | -76.9 | -177.9 | 176.8 | 175.5 | 0 | 113.1 | I8 S17 | I8-K13 HydrophobicContact CG2-CG 4.3Å; K13-S17 WeakPolarHBondContact O-CB 3.42Å; K13-S17 PolarHBondContact O-N 3.11Å |
| 14 | E | 42.9 | Very low | 52.1 | Low | 148 Ų | 148 | 112.7 Ų | 112.7 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -36.3 | 175 | -74.2 | -178.8 | 164.1 | 0 | 0 | 112.6 | P10 E12 G18 | P10-E14 PolarHBondContact O-N 3.48Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 2.85Å; E14-G18 PolarHBondContact O-N 3.23Å |
| 15 | R | 45.4 | Very low | 53.9 | Low | 203 Ų | 203 | 101.8 Ų | 101.8 | 77% | 0.766 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.2 | -40.8 | 177.5 | -73.4 | -178.3 | 178.3 | -173.1 | -0.9 | 112.5 | K11 E12 A19 | K11-R15 WeakPolarHBondContact O-CG 3.45Å; E12-R15 PolarHBondContact O-N 3.38Å; R15-A19 WeakPolarHBondContact O-CB 3.41Å; R15-A19 PolarHBondContact O-N 3.12Å |
| 16 | E | 45.2 | Very low | 55.7 | Low | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.1 | -38.2 | 174.4 | -73.9 | -176.6 | 162.6 | 0 | 0 | 111.9 | E12 A19 S20 | E12-E16 PolarHBondContact O-N 2.92Å; E16-A19 PolarHBondContact O-N 2.95Å; E16-S20 WeakPolarHBondContact O-CB 3.43Å; E16-S20 PolarHBondContact O-N 3.26Å |
| 17 | S | 51.4 | Low | 57.4 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.6 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | K13 S20 M21 | K13-S17 WeakPolarHBondContact O-CB 3.42Å; K13-S17 PolarHBondContact O-N 3.11Å; S17-S20 PolarHBondContact O-N 3.15Å; S17-M21 PolarHBondContact O-N 3.46Å |
| 18 | G | 56.2 | Low | 59.2 | Low | 32 Ų | 32 | 90.9 Ų | 90.9 | 33% | 0.33 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | E14 M21 N22 | E14-G18 PolarHBondContact O-N 3.23Å; G18-M21 PolarHBondContact O-N 3.38Å; G18-N22 PolarHBondContact O-N 2.96Å; G18-N22 PolarHBondContact O-ND2 2.76Å |
| 19 | A | 59.1 | Low | 60.8 | Low | 54 Ų | 54 | 86.6 Ų | 86.6 | 45% | 0.446 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R15 E16 N22 S23 | R15-A19 WeakPolarHBondContact O-CB 3.41Å; R15-A19 PolarHBondContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 2.95Å; A19-N22 PolarHBondContact O-N 3.4Å; A19-S23 PolarHBondContact O-N 3.22Å; A19-S23 PolarHBondContact O-OG 3.36Å; A19-S23 VanDerWaalsContact O-OG 3.13Å |
| 20 | S | 61 | Low | 62.6 | Low | 60 Ų | 60 | 87.2 Ų | 87.2 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | E16 S17 S23 R24 | E16-S20 WeakPolarHBondContact O-CB 3.43Å; E16-S20 PolarHBondContact O-N 3.26Å; S17-S20 PolarHBondContact O-N 3.15Å; S20-S23 PolarHBondContact O-N 3Å; S20-R24 PolarHBondContact O-N 2.85Å |
| 21 | M | 60.7 | Low | 64 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 44% | 0.443 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 176.1 | -116 | 163.1 | 92.6 | 0 | 0 | 111.8 | S17 G18 R24 N25 | S17-M21 PolarHBondContact O-N 3.46Å; G18-M21 PolarHBondContact O-N 3.38Å; M21-R24 PolarHBondContact O-N 2.93Å; M21-N25 VanDerWaalsContact O-CG 3.27Å; M21-N25 PolarHBondContact O-N 3.35Å; M21-N25 PolarHBondContact O-ND2 2.97Å |
| 22 | N | 68 | Low | 65.8 | Low | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 178 | -69.9 | -13.9 | 0 | 0 | 0 | 112.3 | G18 A19 R24 N25 A26 F62 | G18-N22 PolarHBondContact O-N 2.96Å; G18-N22 PolarHBondContact O-ND2 2.76Å; A19-N22 PolarHBondContact O-N 3.4Å; N22-R24 PolarHBondContact O-N 3.5Å; N22-N25 PolarHBondContact O-N 2.78Å; N22-A26 PolarHBondContact O-N 2.8Å; N22-F62 HydrophobicContact CB-CE1 3.88Å; N22-F62 HydrophobicContact CB-CZ 4.44Å |
| 23 | S | 72.7 | Confident | 67.5 | Low | 75 Ų | 75 | 75.6 Ų | 75.6 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.2 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | A19 S20 A26 I27 | A19-S23 PolarHBondContact O-N 3.22Å; A19-S23 PolarHBondContact O-OG 3.36Å; A19-S23 VanDerWaalsContact O-OG 3.13Å; S20-S23 PolarHBondContact O-N 3Å; S23-A26 PolarHBondContact O-N 3.36Å; S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 3.04Å; S23-I27 VanDerWaalsContact O-N 3.15Å |
| 24 | R | 77 | Confident | 69.2 | Low | 108 Ų | 108 | 74.1 Ų | 74.1 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 177 | -166.9 | -179.3 | -59.5 | 112.9 | 7.8 | 111.9 | S20 M21 N22 A26 I27 R28 | S20-R24 PolarHBondContact O-N 2.85Å; M21-R24 PolarHBondContact O-N 2.93Å; N22-R24 PolarHBondContact O-N 3.5Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-I27 PolarHBondContact O-N 2.84Å; R24-R28 PolarHBondContact O-N 2.57Å; R24-R28 VanDerWaalsContact O-N 3.13Å |
| 25 | N | 77.5 | Confident | 71.1 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.4 | -69.5 | -16.9 | 0 | 0 | 0 | 111.8 | M21 N22 I27 R28 M29 A61 I132 | M21-N25 VanDerWaalsContact O-CG 3.27Å; M21-N25 PolarHBondContact O-N 3.35Å; M21-N25 PolarHBondContact O-ND2 2.97Å; N22-N25 PolarHBondContact O-N 2.78Å; N25-I27 PolarHBondContact O-N 3.28Å; N25-R28 PolarHBondContact O-N 3Å; N25-M29 WeakPolarHBondContact O-CB 3.19Å; N25-M29 PolarHBondContact O-N 2.91Å; N25-A61 HydrophobicContact CB-CB 4.17Å; N25-I132 HydrophobicContact CB-CD1 4Å |
| 26 | A | 78.5 | Confident | 72.8 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N22 S23 R24 M29 E30 | N22-A26 PolarHBondContact O-N 2.8Å; S23-A26 PolarHBondContact O-N 3.36Å; R24-A26 VanDerWaalsContact C-N 3.34Å; A26-M29 PolarHBondContact O-N 3.09Å; A26-E30 PolarHBondContact O-N 2.81Å |
| 27 | I | 81.9 | Confident | 74.5 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 54% | 0.544 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 177.5 | -63.9 | 165 | 0 | 0 | 0 | 111.1 | S23 R24 N25 M29 E30 L31 | S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 3.04Å; S23-I27 VanDerWaalsContact O-N 3.15Å; R24-I27 PolarHBondContact O-N 2.84Å; N25-I27 PolarHBondContact O-N 3.28Å; I27-M29 VanDerWaalsContact C-N 3.3Å; I27-M29 PolarHBondContact O-N 3.03Å; I27-E30 WeakPolarHBondContact O-CB 3.38Å; I27-E30 PolarHBondContact O-N 3.49Å; I27-L31 PolarHBondContact O-N 2.89Å; I27-L31 VanDerWaalsContact O-N 3.12Å |
| 28 | R | 80.7 | Confident | 75.8 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 176.9 | -73.1 | -169.1 | -177.6 | 156.7 | 11.5 | 112.2 | R24 N25 E30 L31 L32 E129 I132 | R24-R28 PolarHBondContact O-N 2.57Å; R24-R28 VanDerWaalsContact O-N 3.13Å; N25-R28 PolarHBondContact O-N 3Å; R28-E30 VanDerWaalsContact C-N 3.3Å; R28-E30 PolarHBondContact O-N 3.07Å; R28-L31 PolarHBondContact O-N 2.75Å; R28-L32 PolarHBondContact O-N 3Å; R28-E129 IonicContact CZ-OE1 3.74Å; R28-E129 IonicContact NH1-OE1 2.8Å; R28-E129 PolarHBondContact NH1-OE1 2.75Å; R28-E129 IonicContact NH2-OE1 2.69Å; R28-E129 PolarHBondContact NH2-OE1 2.75Å; R28-I132 HydrophobicContact CB-CG2 3.85Å |
| 29 | M | 82 | Confident | 76.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 175.2 | -172.6 | 63.3 | -154.2 | 0 | 0 | 112 | N25 A26 I27 L32 Q33 I55 R57 F60 I132 | N25-M29 WeakPolarHBondContact O-CB 3.19Å; N25-M29 PolarHBondContact O-N 2.91Å; A26-M29 PolarHBondContact O-N 3.09Å; I27-M29 VanDerWaalsContact C-N 3.3Å; I27-M29 PolarHBondContact O-N 3.03Å; M29-L32 HydrophobicContact CE-CD2 4.36Å; M29-L32 PolarHBondContact O-N 3.35Å; M29-L32 HydrophobicContact SD-CD2 4.02Å; M29-Q33 WeakPolarHBondContact O-CB 3.41Å; M29-Q33 PolarHBondContact O-N 3.16Å; M29-I55 HydrophobicContact CE-CG2 3.38Å; M29-R57 VanDerWaalsContact CG-O 3.22Å; M29-R57 WeakPolarHBondContact CG-O 3.32Å; M29-F60 HydrophobicContact CE-CD2 3.67Å; M29-F60 HydrophobicContact CE-CE2 4.3Å; M29-F60 HydrophobicContact SD-CB 4.01Å; M29-F60 HydrophobicContact SD-CD2 3.8Å; M29-F60 HydrophobicContact SD-CG 4.4Å; M29-I132 HydrophobicContact CB-CD1 4.33Å; M29-I132 HydrophobicContact SD-CG1 4.4Å |
| 30 | E | 82.4 | Confident | 77.3 | Confident | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.9 | -171.1 | 171 | 173.9 | 0 | 0 | 111.8 | A26 I27 R28 Q33 Q34 | A26-E30 PolarHBondContact O-N 2.81Å; I27-E30 WeakPolarHBondContact O-CB 3.38Å; I27-E30 PolarHBondContact O-N 3.49Å; R28-E30 VanDerWaalsContact C-N 3.3Å; R28-E30 PolarHBondContact O-N 3.07Å; E30-Q33 PolarHBondContact O-N 3.49Å; E30-Q34 WeakPolarHBondContact O-CG 3.46Å; E30-Q34 PolarHBondContact O-N 2.67Å |
| 31 | L | 83.1 | Confident | 77.5 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 45% | 0.45 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174 | -69.6 | 169.3 | 0 | 0 | 0 | 111.8 | I27 R28 Q33 Q34 K35 | I27-L31 PolarHBondContact O-N 2.89Å; I27-L31 VanDerWaalsContact O-N 3.12Å; R28-L31 PolarHBondContact O-N 2.75Å; L31-Q33 VanDerWaalsContact C-N 3.29Å; L31-Q33 PolarHBondContact O-N 3.35Å; L31-Q34 WeakPolarHBondContact O-CB 3.45Å; L31-Q34 PolarHBondContact O-N 2.92Å; L31-K35 WeakPolarHBondContact O-CG 3.05Å; L31-K35 PolarHBondContact O-N 3.25Å |
| 32 | L | 84.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 174.4 | 174 | 62.6 | 0 | 0 | 0 | 110.9 | R28 M29 Q34 K35 L36 I132 L135 A139 | R28-L32 PolarHBondContact O-N 3Å; M29-L32 HydrophobicContact CE-CD2 4.36Å; M29-L32 PolarHBondContact O-N 3.35Å; M29-L32 HydrophobicContact SD-CD2 4.02Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.83Å; L32-K35 WeakPolarHBondContact O-CB 3.3Å; L32-K35 PolarHBondContact O-N 3.08Å; L32-L36 HydrophobicContact CD1-CD1 4.11Å; L32-L36 HydrophobicContact CD1-CD2 4.43Å; L32-L36 HydrophobicContact CD1-CG 3.97Å; L32-L36 HydrophobicContact CD2-CD1 4.46Å; L32-L36 HydrophobicContact CG-CD1 3.86Å; L32-L36 HydrophobicContact CG-CG 4.18Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.24Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.36Å; L32-I132 HydrophobicContact CD2-CG2 4.46Å; L32-L135 HydrophobicContact CD1-CB 4.14Å; L32-L135 HydrophobicContact CD2-CB 3.64Å; L32-L135 HydrophobicContact CD2-CD1 4.08Å; L32-A139 HydrophobicContact CD1-CB 3.84Å |
| 33 | Q | 82.2 | Confident | 77.5 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 179.2 | -165.3 | 177.1 | 22.8 | 0 | 0 | 112.2 | M29 E30 L31 L36 K37 I55 | M29-Q33 WeakPolarHBondContact O-CB 3.41Å; M29-Q33 PolarHBondContact O-N 3.16Å; E30-Q33 PolarHBondContact O-N 3.49Å; L31-Q33 VanDerWaalsContact C-N 3.29Å; L31-Q33 PolarHBondContact O-N 3.35Å; Q33-L36 PolarHBondContact O-N 3.13Å; Q33-K37 WeakPolarHBondContact O-CG 3.45Å; Q33-K37 PolarHBondContact O-N 2.8Å; Q33-I55 PolarHBondContact NE2-O 3.35Å |
| 34 | Q | 81.2 | Confident | 77.2 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 173.5 | -68.2 | 174.7 | 4.7 | 0 | 0 | 111.3 | E30 L31 L32 L36 K37 L38 | E30-Q34 WeakPolarHBondContact O-CG 3.46Å; E30-Q34 PolarHBondContact O-N 2.67Å; L31-Q34 WeakPolarHBondContact O-CB 3.45Å; L31-Q34 PolarHBondContact O-N 2.92Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.83Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.29Å; Q34-K37 PolarHBondContact O-N 3.39Å; Q34-L38 WeakPolarHBondContact O-CG 3.38Å; Q34-L38 PolarHBondContact O-N 2.64Å |
| 35 | K | 83.1 | Confident | 76.5 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.5 | -67.2 | 177.9 | -174.6 | -179.9 | 0 | 112 | L31 L32 L38 L39 D136 A139 D140 L143 | L31-K35 WeakPolarHBondContact O-CG 3.05Å; L31-K35 PolarHBondContact O-N 3.25Å; L32-K35 WeakPolarHBondContact O-CB 3.3Å; L32-K35 PolarHBondContact O-N 3.08Å; K35-L38 WeakPolarHBondContact O-CB 3.35Å; K35-L38 PolarHBondContact O-N 2.67Å; K35-L39 WeakPolarHBondContact O-CG 3.44Å; K35-L39 PolarHBondContact O-N 2.7Å; K35-L39 VanDerWaalsContact O-N 3.1Å; K35-D136 WeakPolarHBondContact CD-OD1 3.49Å; K35-D136 WeakPolarHBondContact CE-OD1 3.45Å; K35-D136 VanDerWaalsContact NZ-CG 3.31Å; K35-D136 IonicContact NZ-OD1 2.64Å; K35-D136 PolarHBondContact NZ-OD1 3.3Å; K35-D136 IonicContact NZ-OD2 3.83Å; K35-D136 PolarHBondContact NZ-OD2 2.93Å; K35-A139 HydrophobicContact CB-CB 4.17Å; K35-A139 HydrophobicContact CD-CB 4.35Å; K35-D140 WeakPolarHBondContact CD-OD1 3.47Å; K35-D140 WeakPolarHBondContact CE-OD1 3.39Å; K35-D140 IonicContact NZ-OD1 3.07Å; K35-D140 PolarHBondContact NZ-OD1 3.12Å; K35-D140 IonicContact NZ-OD2 2.75Å; K35-D140 PolarHBondContact NZ-OD2 3.29Å; K35-L143 HydrophobicContact CB-CD1 3.74Å; K35-L143 HydrophobicContact CD-CD1 4.24Å; K35-L143 HydrophobicContact CG-CD1 3.76Å |
| 36 | L | 81.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.3 | -77.1 | -179.5 | 0 | 0 | 0 | 112.4 | L32 Q33 Q34 L39 M41 L76 W79 L80 | L32-L36 HydrophobicContact CD1-CD1 4.11Å; L32-L36 HydrophobicContact CD1-CD2 4.43Å; L32-L36 HydrophobicContact CD1-CG 3.97Å; L32-L36 HydrophobicContact CD2-CD1 4.46Å; L32-L36 HydrophobicContact CG-CD1 3.86Å; L32-L36 HydrophobicContact CG-CG 4.18Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.24Å; L32-L36 VanDerWaalsContact O-CG 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.36Å; Q33-L36 PolarHBondContact O-N 3.13Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.29Å; L36-L39 PolarHBondContact O-N 3.26Å; L36-L39 VanDerWaalsContact O-N 3.11Å; L36-M41 HydrophobicContact CB-CB 4.35Å; L36-M41 HydrophobicContact CB-CG 3.73Å; L36-M41 HydrophobicContact CD1-CE 4.34Å; L36-M41 HydrophobicContact CD2-CE 4.28Å; L36-M41 HydrophobicContact CD2-CG 3.78Å; L36-M41 HydrophobicContact CD2-SD 3.97Å; L36-M41 HydrophobicContact CG-CG 4.25Å; L36-M41 VanDerWaalsContact O-CB 3.24Å; L36-M41 WeakPolarHBondContact O-CB 3.42Å; L36-M41 WeakPolarHBondContact O-CG 3.07Å; L36-M41 PolarHBondContact O-N 3.03Å; L36-L76 HydrophobicContact CD1-CD1 4.42Å; L36-L76 HydrophobicContact CD1-CD2 4Å; L36-L76 HydrophobicContact CD2-CD1 3.98Å; L36-W79 HydrophobicContact CD2-CZ3 4.37Å; L36-L80 HydrophobicContact CD2-CD1 4.42Å; L36-L80 HydrophobicContact CD2-CD2 3.96Å |
| 37 | K | 80.2 | Confident | 74.8 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 173.9 | -77.6 | -178.8 | 175.8 | -173.6 | 0 | 112.4 | Q33 Q34 L39 N40 | Q33-K37 WeakPolarHBondContact O-CG 3.45Å; Q33-K37 PolarHBondContact O-N 2.8Å; Q34-K37 PolarHBondContact O-N 3.39Å; K37-L39 PolarHBondContact O-N 3.31Å; K37-N40 PolarHBondContact O-N 3.21Å; K37-N40 VanDerWaalsContact O-N 3.07Å |
| 38 | L | 78.4 | Confident | 73.7 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 40% | 0.398 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.8 | -28.7 | 173.6 | -66.1 | 171 | 0 | 0 | 0 | 111.7 | Q34 K35 N40 L143 F148 | Q34-L38 WeakPolarHBondContact O-CG 3.38Å; Q34-L38 PolarHBondContact O-N 2.64Å; K35-L38 WeakPolarHBondContact O-CB 3.35Å; K35-L38 PolarHBondContact O-N 2.67Å; L38-N40 VanDerWaalsContact C-N 3.26Å; L38-N40 PolarHBondContact O-N 3.43Å; L38-L143 HydrophobicContact CB-CD2 4.01Å; L38-F148 HydrophobicContact CB-CE2 4.25Å; L38-F148 HydrophobicContact CB-CZ 4.31Å; L38-F148 HydrophobicContact CD2-CE1 3.83Å; L38-F148 HydrophobicContact CD2-CE2 4.45Å; L38-F148 HydrophobicContact CD2-CZ 3.69Å; L38-F148 WeakPolarHBondContact O-CE2 3.38Å |
| 39 | L | 74.4 | Confident | 72.4 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 10 | 176 | -66.9 | 165.9 | 0 | 0 | 0 | 114.1 | K35 L36 K37 M41 W79 L80 A139 A142 L143 T146 | K35-L39 WeakPolarHBondContact O-CG 3.44Å; K35-L39 PolarHBondContact O-N 2.7Å; K35-L39 VanDerWaalsContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 3.26Å; L36-L39 VanDerWaalsContact O-N 3.11Å; K37-L39 PolarHBondContact O-N 3.31Å; L39-M41 VanDerWaalsContact C-N 3.34Å; L39-M41 PolarHBondContact O-N 3.48Å; L39-W79 HydrophobicContact CB-CH2 3.77Å; L39-W79 HydrophobicContact CB-CZ3 4.2Å; L39-W79 HydrophobicContact CD1-CZ3 4.48Å; L39-W79 WeakPolarHBondContact O-CH2 3.24Å; L39-L80 HydrophobicContact CD1-CD2 3.82Å; L39-A139 HydrophobicContact CD1-CB 4.4Å; L39-A142 HydrophobicContact CD1-CB 3.85Å; L39-A142 HydrophobicContact CD2-CB 4.07Å; L39-L143 HydrophobicContact CD1-CD2 4.44Å; L39-L143 HydrophobicContact CD1-CG 4.16Å; L39-L143 HydrophobicContact CD2-CD2 3.66Å; L39-L143 HydrophobicContact CD2-CG 3.97Å; L39-L143 HydrophobicContact CG-CD2 3.73Å; L39-L143 HydrophobicContact CG-CG 3.98Å; L39-T146 HydrophobicContact CD2-CG2 4.34Å; L39-T146 WeakPolarHBondContact CD2-OG1 3.32Å |
| 40 | N | 73.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 43.3 | -175.8 | -73.5 | -6.6 | 0 | 0 | 0 | 114 | K37 L38 D42 D43 E44 | K37-N40 PolarHBondContact O-N 3.21Å; K37-N40 VanDerWaalsContact O-N 3.07Å; L38-N40 VanDerWaalsContact C-N 3.26Å; L38-N40 PolarHBondContact O-N 3.43Å; N40-D42 VanDerWaalsContact C-N 3.28Å; N40-D42 PolarHBondContact O-N 3.29Å; N40-D43 PolarHBondContact O-N 2.9Å; N40-E44 PolarHBondContact O-N 2.83Å |
| 41 | M | 65.5 | Low | 69.8 | Low | 11 Ų | 11 | 64.1 Ų | 64.1 | 5% | 0.054 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.5 | -37.8 | 175.5 | -88.6 | -82 | -61.4 | 0 | 0 | 114.3 | L36 L39 D43 F45 V46 I55 L76 W79 | L36-M41 HydrophobicContact CB-CB 4.35Å; L36-M41 HydrophobicContact CB-CG 3.73Å; L36-M41 HydrophobicContact CD1-CE 4.34Å; L36-M41 HydrophobicContact CD2-CE 4.28Å; L36-M41 HydrophobicContact CD2-CG 3.78Å; L36-M41 HydrophobicContact CD2-SD 3.97Å; L36-M41 HydrophobicContact CG-CG 4.25Å; L36-M41 VanDerWaalsContact O-CB 3.24Å; L36-M41 WeakPolarHBondContact O-CB 3.42Å; L36-M41 WeakPolarHBondContact O-CG 3.07Å; L36-M41 PolarHBondContact O-N 3.03Å; L39-M41 VanDerWaalsContact C-N 3.34Å; L39-M41 PolarHBondContact O-N 3.48Å; M41-D43 VanDerWaalsContact C-N 3.28Å; M41-D43 PolarHBondContact O-N 3.14Å; M41-F45 HydrophobicContact CE-CB 3.74Å; M41-F45 HydrophobicContact CE-CD1 3.26Å; M41-F45 HydrophobicContact CE-CD2 4.31Å; M41-F45 HydrophobicContact CE-CE1 3.86Å; M41-F45 HydrophobicContact CE-CG 3.5Å; M41-F45 VanDerWaalsContact O-CB 3.27Å; M41-F45 WeakPolarHBondContact O-CB 3.42Å; M41-F45 PolarHBondContact O-N 3.38Å; M41-F45 HydrophobicContact SD-CB 3.34Å; M41-F45 WeakPolarHBondContact SD-CB 3.01Å; M41-F45 HydrophobicContact SD-CD1 4.02Å; M41-F45 HydrophobicContact SD-CD2 4.15Å; M41-F45 HydrophobicContact SD-CG 3.58Å; M41-F45 VanDerWaalsContact SD-CG 3.58Å; M41-V46 PolarHBondContact O-N 3.11Å; M41-I55 HydrophobicContact CE-CD1 3.87Å; M41-L76 HydrophobicContact CE-CD1 3.24Å; M41-L76 HydrophobicContact SD-CD1 3.58Å; M41-L76 VanDerWaalsContact SD-CD1 3.58Å; M41-W79 HydrophobicContact CB-CH2 4.46Å; M41-W79 HydrophobicContact CG-CE3 4.32Å; M41-W79 HydrophobicContact CG-CH2 3.45Å; M41-W79 VanDerWaalsContact CG-CH2 3.45Å; M41-W79 HydrophobicContact CG-CZ2 4.25Å; M41-W79 HydrophobicContact CG-CZ3 3.51Å; M41-W79 HydrophobicContact SD-CD2 3.85Å; M41-W79 HydrophobicContact SD-CE3 3.32Å; M41-W79 HydrophobicContact SD-CH2 3.46Å; M41-W79 WeakPolarHBondContact SD-CH2 3.32Å; M41-W79 HydrophobicContact SD-CZ2 3.97Å; M41-W79 HydrophobicContact SD-CZ3 3.12Å; M41-W79 WeakPolarHBondContact SD-CZ3 3.28Å |
| 42 | D | 63.6 | Low | 68.7 | Low | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -31.6 | -174.4 | -67.4 | -38 | 0 | 0 | 0 | 112.3 | N40 V46 | N40-D42 VanDerWaalsContact C-N 3.28Å; N40-D42 PolarHBondContact O-N 3.29Å; D42-V46 WeakPolarHBondContact O-CB 3.33Å |
| 43 | D | 64 | Low | 67.7 | Low | 129 Ų | 129 | 66.3 Ų | 66.3 | 69% | 0.69 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -89.9 | -43.1 | 179.3 | -67.5 | -31.5 | 0 | 0 | 0 | 112.3 | N40 M41 | N40-D43 PolarHBondContact O-N 2.9Å; M41-D43 VanDerWaalsContact C-N 3.28Å; M41-D43 PolarHBondContact O-N 3.14Å |
| 44 | E | 66.3 | Low | 66.7 | Low | 82 Ų | 82 | 68.6 Ų | 68.6 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -91.4 | -40.1 | -171.9 | -70.4 | -168.8 | -151.8 | 0 | 0 | 113.9 | N40 L48 W79 K83 | N40-E44 PolarHBondContact O-N 2.83Å; E44-L48 WeakPolarHBondContact O-CD1 3.32Å; E44-L48 PolarHBondContact O-N 3.46Å; E44-W79 HydrophobicContact CB-CZ2 4.13Å; E44-K83 IonicContact OE1-NZ 2.89Å; E44-K83 PolarHBondContact OE1-NZ 3.43Å; E44-K83 WeakPolarHBondContact OE2-CE 3.44Å; E44-K83 IonicContact OE2-NZ 2.83Å; E44-K83 PolarHBondContact OE2-NZ 2.92Å |
| 45 | F | 63.4 | Low | 66 | Low | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -39.8 | -173.2 | 179.7 | -101.6 | 0 | 0 | 0 | 112.7 | M41 G47 L48 N52 I55 L76 W79 | M41-F45 HydrophobicContact CE-CB 3.74Å; M41-F45 HydrophobicContact CE-CD1 3.26Å; M41-F45 HydrophobicContact CE-CD2 4.31Å; M41-F45 HydrophobicContact CE-CE1 3.86Å; M41-F45 HydrophobicContact CE-CG 3.5Å; M41-F45 VanDerWaalsContact O-CB 3.27Å; M41-F45 WeakPolarHBondContact O-CB 3.42Å; M41-F45 PolarHBondContact O-N 3.38Å; M41-F45 HydrophobicContact SD-CB 3.34Å; M41-F45 WeakPolarHBondContact SD-CB 3.01Å; M41-F45 HydrophobicContact SD-CD1 4.02Å; M41-F45 HydrophobicContact SD-CD2 4.15Å; M41-F45 HydrophobicContact SD-CG 3.58Å; M41-F45 VanDerWaalsContact SD-CG 3.58Å; F45-G47 PolarHBondContact O-N 2.82Å; F45-L48 PolarHBondContact O-N 3.16Å; F45-N52 HydrophobicContact CD1-CB 4.21Å; F45-N52 HydrophobicContact CE1-CB 3.94Å; F45-N52 HydrophobicContact CZ-CB 4.45Å; F45-N52 PolarHBondContact O-ND2 2.79Å; F45-I55 HydrophobicContact CE1-CD1 4.28Å; F45-L76 HydrophobicContact CD2-CD1 4.43Å; F45-L76 HydrophobicContact CE1-CD1 4.35Å; F45-L76 HydrophobicContact CE2-CB 4.35Å; F45-L76 HydrophobicContact CE2-CD1 4.16Å; F45-L76 HydrophobicContact CZ-CB 4.05Å; F45-L76 HydrophobicContact CZ-CD1 4.1Å; F45-W79 HydrophobicContact CB-CD2 4.23Å; F45-W79 HydrophobicContact CB-CG 4.39Å; F45-W79 HydrophobicContact CB-CZ2 4.46Å; F45-W79 HydrophobicContact CD2-CB 3.56Å; F45-W79 AromaticContact CD2-CD1 3.86Å; F45-W79 AromaticContact CD2-CD2 3.99Å; F45-W79 HydrophobicContact CD2-CD2 3.99Å; F45-W79 AromaticContact CD2-CG 3.51Å; F45-W79 HydrophobicContact CD2-CG 3.51Å; F45-W79 HydrophobicContact CE2-CB 3.8Å; F45-W79 HydrophobicContact CE2-CG 4.25Å; F45-W79 HydrophobicContact CG-CG 4.4Å |
| 46 | V | 60.3 | Low | 65.3 | Low | 58 Ų | 58 | 65.7 Ų | 65.7 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.4 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | M41 D42 | M41-V46 PolarHBondContact O-N 3.11Å; D42-V46 WeakPolarHBondContact O-CB 3.33Å |
| 47 | G | 58.7 | Low | 64.8 | Low | 66 Ų | 66 | 71.7 Ų | 71.7 | 68% | 0.68 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -17.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F45 T49 | F45-G47 PolarHBondContact O-N 2.82Å; G47-T49 PolarHBondContact O-N 2.75Å |
| 48 | L | 59.2 | Low | 64.7 | Low | 69 Ų | 69 | 69.1 Ų | 69.1 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.8 | -170.8 | -126.5 | 84.5 | 0 | 0 | 0 | 113.9 | E44 F45 L91 | E44-L48 WeakPolarHBondContact O-CD1 3.32Å; E44-L48 PolarHBondContact O-N 3.46Å; F45-L48 PolarHBondContact O-N 3.16Å; L48-L91 HydrophobicContact CD2-CD1 4.1Å; L48-L91 HydrophobicContact CD2-CD2 4.03Å |
| 49 | T | 53.5 | Low | 64.6 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | trans | -154.8 | 135.4 | -176.9 | 2.7 | 0 | 0 | 0 | 0 | 110.1 | G47 T51 N52 | G47-T49 PolarHBondContact O-N 2.75Å; T49-T51 PolarHBondContact O-N 3.18Å; T49-N52 PolarHBondContact O-N 3.42Å; T49-N52 PolarHBondContact OG1-ND2 2.89Å | ||
| 50 | V | 54.5 | Low | 64.9 | Low | 161 Ų | 161 | 67.3 Ų | 67.3 | 98% | 0.976 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.9 | -178.5 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 51 | T | 55.2 | Low | 65 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -16.5 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | T49 K53 | T49-T51 PolarHBondContact O-N 3.18Å; T51-K53 PolarHBondContact O-N 3.34Å |
| 52 | N | 61.1 | Low | 65.6 | Low | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | trans | -77.5 | 107.5 | -174.9 | -75.1 | -20.2 | 0 | 0 | 0 | 110.7 | F45 T49 Q72 | F45-N52 HydrophobicContact CD1-CB 4.21Å; F45-N52 HydrophobicContact CE1-CB 3.94Å; F45-N52 HydrophobicContact CZ-CB 4.45Å; F45-N52 PolarHBondContact O-ND2 2.79Å; T49-N52 PolarHBondContact O-N 3.42Å; T49-N52 PolarHBondContact OG1-ND2 2.89Å; N52-Q72 PolarHBondContact OD1-NE2 3.36Å | ||
| 53 | K | 62.5 | Low | 66.2 | Low | 124 Ų | 124 | 66.9 Ų | 66.9 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | trans | -88.9 | 155.1 | 173.3 | -64.6 | 170.7 | -169.2 | 158.2 | 0 | 110.3 | T51 I55 E68 | T51-K53 PolarHBondContact O-N 3.34Å; K53-I55 PolarHBondContact O-N 2.87Å; K53-E68 IonicContact NZ-OE1 3.49Å; K53-E68 PolarHBondContact NZ-OE1 2.92Å | ||
| 54 | S | 61.3 | Low | 66.8 | Low | 92 Ų | 92 | 66.5 Ų | 66.5 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | trans | -56.7 | 124.4 | 169.4 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | S56 | S54-S56 PolarHBondContact O-N 2.91Š| ||
| 55 | I | 67.1 | Low | 67.4 | Low | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | trans | -77.6 | 112.9 | -173.8 | -58.4 | 173.7 | 0 | 0 | 0 | 107.9 | M29 Q33 M41 F45 K53 Y59 F60 L76 | M29-I55 HydrophobicContact CE-CG2 3.38Å; Q33-I55 PolarHBondContact NE2-O 3.35Å; M41-I55 HydrophobicContact CE-CD1 3.87Å; F45-I55 HydrophobicContact CE1-CD1 4.28Å; K53-I55 PolarHBondContact O-N 2.87Å; I55-Y59 HydrophobicContact CG2-CD1 4.42Å; I55-Y59 HydrophobicContact CG2-CG 4.45Å; I55-F60 HydrophobicContact CD1-CE2 4.29Å; I55-F60 HydrophobicContact CG2-CD2 4.31Å; I55-F60 HydrophobicContact CG2-CE2 3.96Å; I55-L76 HydrophobicContact CD1-CD1 4.17Å; I55-L76 HydrophobicContact CD1-CD2 3.79Å; I55-L76 HydrophobicContact CD1-CG 4.48Å | ||
| 56 | S | 68.3 | Low | 68.3 | Low | 66 Ų | 66 | 68.6 Ų | 68.6 | 46% | 0.462 | 40% | 0.398 | S | S | . | . | trans | -69 | 152.6 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | S54 H58 Y59 | S54-S56 PolarHBondContact O-N 2.91Å; S56-H58 PolarHBondContact O-N 2.93Å; S56-Y59 WeakPolarHBondContact O-CB 3.45Å; S56-Y59 PolarHBondContact O-N 2.96Å | ||
| 57 | R | 70.8 | Confident | 69.1 | Low | 131 Ų | 131 | 69.2 Ų | 69.2 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -16.7 | -179.9 | 61.9 | -179.7 | -67.2 | -152 | -0.8 | 115.5 | M29 | M29-R57 VanDerWaalsContact CG-O 3.22Å; M29-R57 WeakPolarHBondContact CG-O 3.32Å |
| 58 | H | 76.6 | Confident | 70.2 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 28% | 0.282 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 6.7 | -177.1 | -59.6 | -38.1 | 0 | 0 | 0 | 113.6 | S56 F60 A61 F62 | S56-H58 PolarHBondContact O-N 2.93Å; H58-F60 PolarHBondContact O-N 3.14Å; H58-A61 PolarHBondContact O-N 3.4Å; H58-A61 VanDerWaalsContact O-N 3.11Å; H58-F62 HydrophobicContact CB-CD2 3.9Å; H58-F62 HydrophobicContact CB-CE2 3.85Å |
| 59 | Y | 77.3 | Confident | 71.4 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 18% | 0.184 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -39.9 | -164.1 | -170.4 | -99 | 0 | 0 | 0 | 114.1 | I55 S56 Q69 Q72 | I55-Y59 HydrophobicContact CG2-CD1 4.42Å; I55-Y59 HydrophobicContact CG2-CG 4.45Å; S56-Y59 WeakPolarHBondContact O-CB 3.45Å; S56-Y59 PolarHBondContact O-N 2.96Å; Y59-Q69 HydrophobicContact CE1-CG 3.94Å; Y59-Q69 PolarHBondContact O-NE2 3.26Å; Y59-Q72 HydrophobicContact CE1-CB 4.1Å; Y59-Q72 HydrophobicContact CE1-CG 4Å |
| 60 | F | 79.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.7 | 175.6 | -63.5 | -64.7 | 0 | 0 | 0 | 113.9 | M29 I55 H58 Q69 Q72 M73 L76 G128 I132 L135 | M29-F60 HydrophobicContact CE-CD2 3.67Å; M29-F60 HydrophobicContact CE-CE2 4.3Å; M29-F60 HydrophobicContact SD-CB 4.01Å; M29-F60 HydrophobicContact SD-CD2 3.8Å; M29-F60 HydrophobicContact SD-CG 4.4Å; I55-F60 HydrophobicContact CD1-CE2 4.29Å; I55-F60 HydrophobicContact CG2-CD2 4.31Å; I55-F60 HydrophobicContact CG2-CE2 3.96Å; H58-F60 PolarHBondContact O-N 3.14Å; F60-Q69 WeakPolarHBondContact CE1-O 3.35Å; F60-Q72 HydrophobicContact CE1-CB 4.4Å; F60-Q72 HydrophobicContact CZ-CB 4.24Å; F60-Q72 HydrophobicContact CZ-CG 4.11Å; F60-M73 HydrophobicContact CD1-CB 4.46Å; F60-M73 HydrophobicContact CE1-CB 3.75Å; F60-M73 HydrophobicContact CZ-CB 4.18Å; F60-L76 HydrophobicContact CE2-CD2 4.14Å; F60-G128 PolarHBondContact O-N 3.25Å; F60-G128 VanDerWaalsContact O-N 3.15Å; F60-I132 HydrophobicContact CB-CD1 4.5Å; F60-I132 HydrophobicContact CB-CG1 3.97Å; F60-L135 HydrophobicContact CD2-CD1 4.06Å; F60-L135 HydrophobicContact CE2-CD1 3.95Å; F60-L135 HydrophobicContact CZ-CD1 4.42Å |
| 61 | A | 76.7 | Confident | 74.2 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -29.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N25 H58 | N25-A61 HydrophobicContact CB-CB 4.17Å; H58-A61 PolarHBondContact O-N 3.4Å; H58-A61 VanDerWaalsContact O-N 3.11Å |
| 62 | F | 76.9 | Confident | 75.5 | Confident | 89 Ų | 89 | 57 Ų | 57 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -121.8 | 138.2 | 179 | -56.8 | -78.7 | 0 | 0 | 0 | 110.7 | N22 H58 T64 Q69 | N22-F62 HydrophobicContact CB-CE1 3.88Å; N22-F62 HydrophobicContact CB-CZ 4.44Å; H58-F62 HydrophobicContact CB-CD2 3.9Å; H58-F62 HydrophobicContact CB-CE2 3.85Å; F62-T64 PolarHBondContact O-N 3.41Å; F62-T64 VanDerWaalsContact O-N 3.16Å; F62-Q69 PolarHBondContact O-NE2 2.98Å |
| 63 | S | 77.8 | Confident | 76.7 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | trans | -70.6 | 109.5 | 172 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | S127 | S63-S127 WeakPolarHBondContact CA-OG 3.45Å; S63-S127 VanDerWaalsContact CB-OG 3.31Å; S63-S127 WeakPolarHBondContact CB-OG 3.39Å | ||
| 64 | T | 75.9 | Confident | 77.8 | Confident | 121 Ų | 121 | 50.9 Ų | 50.9 | 74% | 0.742 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -104 | -64.4 | 173.5 | -52.5 | 0 | 0 | 0 | 0 | 109.1 | F62 | F62-T64 PolarHBondContact O-N 3.41Å; F62-T64 VanDerWaalsContact O-N 3.16Å |
| 65 | N | 79.2 | Confident | 78.8 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | trans | -132.1 | 100 | 175.3 | -179 | -5.8 | 0 | 0 | 0 | 108.2 | A67 E68 Q69 | N65-A67 PolarHBondContact O-N 3.23Å; N65-A67 PolarHBondContact OD1-N 3.18Å; N65-E68 HydrophobicContact CB-CB 4.07Å; N65-E68 PolarHBondContact ND2-OE2 3.37Å; N65-E68 PolarHBondContact O-N 3.11Å; N65-Q69 VanDerWaalsContact O-CB 3.31Å; N65-Q69 WeakPolarHBondContact O-CB 3.28Å; N65-Q69 WeakPolarHBondContact O-CG 3.26Å; N65-Q69 PolarHBondContact O-N 3.33Å; N65-Q69 PolarHBondContact O-OE1 2.68Å | ||
| 66 | S | 81.1 | Confident | 79.6 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.6 | -36.9 | -173.4 | 179.1 | 0 | 0 | 0 | 0 | 113 | F70 I125 | S66-F70 WeakPolarHBondContact O-CB 3.47Å; S66-F70 PolarHBondContact O-N 3.25Å; S66-I125 WeakPolarHBondContact CB-O 3.46Å; S66-I125 PolarHBondContact OG-O 3.17Å |
| 67 | A | 79 | Confident | 80.4 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 59% | 0.587 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -72 | -45.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N65 F70 F71 | N65-A67 PolarHBondContact O-N 3.23Å; N65-A67 PolarHBondContact OD1-N 3.18Å; A67-F70 PolarHBondContact O-N 3.14Å; A67-F71 PolarHBondContact O-N 3.03Å |
| 68 | E | 81.6 | Confident | 81 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 177.3 | -173.5 | -178.6 | 177.1 | 0 | 0 | 110.8 | K53 N65 F70 F71 Q72 | K53-E68 IonicContact NZ-OE1 3.49Å; K53-E68 PolarHBondContact NZ-OE1 2.92Å; N65-E68 HydrophobicContact CB-CB 4.07Å; N65-E68 PolarHBondContact ND2-OE2 3.37Å; N65-E68 PolarHBondContact O-N 3.11Å; E68-F70 VanDerWaalsContact C-N 3.34Å; E68-F70 PolarHBondContact O-N 2.98Å; E68-F71 PolarHBondContact O-N 2.83Å; E68-Q72 WeakPolarHBondContact O-CB 3.35Å; E68-Q72 PolarHBondContact O-N 3.38Å |
| 69 | Q | 84.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.3 | -69.7 | 174.7 | -48.1 | 0 | 0 | 111.4 | Y59 F60 F62 N65 Q72 M73 G126 | Y59-Q69 HydrophobicContact CE1-CG 3.94Å; Y59-Q69 PolarHBondContact O-NE2 3.26Å; F60-Q69 WeakPolarHBondContact CE1-O 3.35Å; F62-Q69 PolarHBondContact O-NE2 2.98Å; N65-Q69 VanDerWaalsContact O-CB 3.31Å; N65-Q69 WeakPolarHBondContact O-CB 3.28Å; N65-Q69 WeakPolarHBondContact O-CG 3.26Å; N65-Q69 PolarHBondContact O-N 3.33Å; N65-Q69 PolarHBondContact O-OE1 2.68Å; Q69-Q72 PolarHBondContact O-N 3.41Å; Q69-M73 VanDerWaalsContact O-CB 3.23Å; Q69-M73 WeakPolarHBondContact O-CB 3.39Å; Q69-M73 PolarHBondContact O-N 2.75Å; Q69-G126 WeakPolarHBondContact CB-O 3.26Å |
| 70 | F | 83.8 | Confident | 81.6 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 172.6 | 177.3 | -99.5 | 0 | 0 | 0 | 111.3 | S66 A67 E68 Q72 M73 V74 P98 L102 L123 | S66-F70 WeakPolarHBondContact O-CB 3.47Å; S66-F70 PolarHBondContact O-N 3.25Å; A67-F70 PolarHBondContact O-N 3.14Å; E68-F70 VanDerWaalsContact C-N 3.34Å; E68-F70 PolarHBondContact O-N 2.98Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.48Å; F70-M73 HydrophobicContact CD2-CE 3.65Å; F70-M73 HydrophobicContact CE2-CE 3.85Å; F70-M73 PolarHBondContact O-N 2.93Å; F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CG2 4.12Å; F70-V74 HydrophobicContact CE1-CG2 3.85Å; F70-V74 HydrophobicContact CE2-CG2 3.69Å; F70-V74 HydrophobicContact CG-CG2 4.39Å; F70-V74 HydrophobicContact CZ-CG2 3.55Å; F70-V74 WeakPolarHBondContact O-CG2 3.43Å; F70-V74 PolarHBondContact O-N 3.19Å; F70-P98 HydrophobicContact CD1-CB 4.44Å; F70-P98 HydrophobicContact CE1-CB 3.49Å; F70-P98 VanDerWaalsContact CE1-CB 3.49Å; F70-P98 HydrophobicContact CE2-CB 4.49Å; F70-P98 HydrophobicContact CZ-CB 3.51Å; F70-L102 HydrophobicContact CE2-CD1 3.76Å; F70-L102 HydrophobicContact CE2-CD2 3.94Å; F70-L102 HydrophobicContact CE2-CG 3.78Å; F70-L102 HydrophobicContact CZ-CD1 4.18Å; F70-L102 HydrophobicContact CZ-CD2 4.42Å; F70-L102 HydrophobicContact CZ-CG 3.94Å; F70-L123 WeakPolarHBondContact CD2-O 3.35Å |
| 71 | F | 82.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 31.7 Ų | 31.7 | 18% | 0.18 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.9 | -175.6 | -99.1 | 0 | 0 | 0 | 112.3 | A67 E68 V74 S75 E94 | A67-F71 PolarHBondContact O-N 3.03Å; E68-F71 PolarHBondContact O-N 2.83Å; F71-V74 PolarHBondContact O-N 3.41Å; F71-S75 VanDerWaalsContact O-CB 3.32Å; F71-S75 WeakPolarHBondContact O-CB 3.37Å; F71-S75 PolarHBondContact O-N 3.36Å; F71-S75 PolarHBondContact O-OG 2.99Å; F71-E94 HydrophobicContact CD2-CG 4.41Å; F71-E94 HydrophobicContact CE2-CG 3.96Å; F71-E94 HydrophobicContact CZ-CG 4.22Å |
| 72 | Q | 82.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 178.4 | -164.5 | 63 | 65 | 0 | 0 | 112.1 | N52 Y59 F60 E68 Q69 F70 L76 | N52-Q72 PolarHBondContact OD1-NE2 3.36Å; Y59-Q72 HydrophobicContact CE1-CB 4.1Å; Y59-Q72 HydrophobicContact CE1-CG 4Å; F60-Q72 HydrophobicContact CE1-CB 4.4Å; F60-Q72 HydrophobicContact CZ-CB 4.24Å; F60-Q72 HydrophobicContact CZ-CG 4.11Å; E68-Q72 WeakPolarHBondContact O-CB 3.35Å; E68-Q72 PolarHBondContact O-N 3.38Å; Q69-Q72 PolarHBondContact O-N 3.41Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.48Å; Q72-L76 VanDerWaalsContact O-CB 3.29Å; Q72-L76 WeakPolarHBondContact O-CB 3.45Å; Q72-L76 PolarHBondContact O-N 3.14Å |
| 73 | M | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 175.8 | 176.8 | -165.2 | 67.4 | 0 | 0 | 110.8 | F60 Q69 F70 L76 A77 L102 L123 C131 L135 | F60-M73 HydrophobicContact CD1-CB 4.46Å; F60-M73 HydrophobicContact CE1-CB 3.75Å; F60-M73 HydrophobicContact CZ-CB 4.18Å; Q69-M73 VanDerWaalsContact O-CB 3.23Å; Q69-M73 WeakPolarHBondContact O-CB 3.39Å; Q69-M73 PolarHBondContact O-N 2.75Å; F70-M73 HydrophobicContact CD2-CE 3.65Å; F70-M73 HydrophobicContact CE2-CE 3.85Å; F70-M73 PolarHBondContact O-N 2.93Å; M73-L76 PolarHBondContact O-N 3.3Å; M73-A77 WeakPolarHBondContact O-CB 3.46Å; M73-A77 PolarHBondContact O-N 3.16Å; M73-L102 HydrophobicContact CE-CD2 4.08Å; M73-L123 WeakPolarHBondContact CE-O 2.92Å; M73-L123 HydrophobicContact SD-CD2 4.43Å; M73-C131 HydrophobicContact SD-CB 3.56Å; M73-C131 VanDerWaalsContact SD-CB 3.56Å; M73-L135 HydrophobicContact CG-CD1 4.22Å; M73-L135 HydrophobicContact CG-CG 4.5Å |
| 74 | V | 85.1 | Confident | 82 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | F70 F71 L76 A77 A78 P92 V101 L102 I105 | F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CG2 4.12Å; F70-V74 HydrophobicContact CE1-CG2 3.85Å; F70-V74 HydrophobicContact CE2-CG2 3.69Å; F70-V74 HydrophobicContact CG-CG2 4.39Å; F70-V74 HydrophobicContact CZ-CG2 3.55Å; F70-V74 WeakPolarHBondContact O-CG2 3.43Å; F70-V74 PolarHBondContact O-N 3.19Å; F71-V74 PolarHBondContact O-N 3.41Å; V74-L76 VanDerWaalsContact C-N 3.35Å; V74-L76 PolarHBondContact O-N 3.33Å; V74-A77 PolarHBondContact O-N 3.5Å; V74-A78 WeakPolarHBondContact O-CB 3.12Å; V74-A78 PolarHBondContact O-N 2.92Å; V74-P92 HydrophobicContact CB-CG 4.09Å; V74-P92 HydrophobicContact CG1-CB 3.87Å; V74-P92 HydrophobicContact CG1-CG 3.2Å; V74-V101 HydrophobicContact CG1-CB 4.18Å; V74-V101 HydrophobicContact CG1-CG1 3.29Å; V74-L102 HydrophobicContact CG2-CD2 4.47Å; V74-I105 HydrophobicContact CB-CD1 4.33Å; V74-I105 HydrophobicContact CG1-CD1 3.57Å |
| 75 | S | 83 | Confident | 81.6 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | F71 A78 W79 | F71-S75 VanDerWaalsContact O-CB 3.32Å; F71-S75 WeakPolarHBondContact O-CB 3.37Å; F71-S75 PolarHBondContact O-N 3.36Å; F71-S75 PolarHBondContact O-OG 2.99Å; S75-A78 PolarHBondContact O-N 3.45Å; S75-W79 PolarHBondContact O-N 2.89Å |
| 76 | L | 83.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.2 | -177.5 | 63.2 | 0 | 0 | 0 | 112 | L36 M41 F45 I55 F60 Q72 M73 V74 A78 W79 L80 L135 | L36-L76 HydrophobicContact CD1-CD1 4.42Å; L36-L76 HydrophobicContact CD1-CD2 4Å; L36-L76 HydrophobicContact CD2-CD1 3.98Å; M41-L76 HydrophobicContact CE-CD1 3.24Å; M41-L76 HydrophobicContact SD-CD1 3.58Å; M41-L76 VanDerWaalsContact SD-CD1 3.58Å; F45-L76 HydrophobicContact CD2-CD1 4.43Å; F45-L76 HydrophobicContact CE1-CD1 4.35Å; F45-L76 HydrophobicContact CE2-CB 4.35Å; F45-L76 HydrophobicContact CE2-CD1 4.16Å; F45-L76 HydrophobicContact CZ-CB 4.05Å; F45-L76 HydrophobicContact CZ-CD1 4.1Å; I55-L76 HydrophobicContact CD1-CD1 4.17Å; I55-L76 HydrophobicContact CD1-CD2 3.79Å; I55-L76 HydrophobicContact CD1-CG 4.48Å; F60-L76 HydrophobicContact CE2-CD2 4.14Å; Q72-L76 VanDerWaalsContact O-CB 3.29Å; Q72-L76 WeakPolarHBondContact O-CB 3.45Å; Q72-L76 PolarHBondContact O-N 3.14Å; M73-L76 PolarHBondContact O-N 3.3Å; V74-L76 VanDerWaalsContact C-N 3.35Å; V74-L76 PolarHBondContact O-N 3.33Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.21Å; L76-W79 HydrophobicContact CD1-CE3 4.37Å; L76-W79 PolarHBondContact O-N 3.37Å; L76-L80 HydrophobicContact CG-CD1 4.26Å; L76-L80 WeakPolarHBondContact O-CG 3.12Å; L76-L80 PolarHBondContact O-N 3.23Å; L76-L135 HydrophobicContact CB-CD2 4.08Å; L76-L135 HydrophobicContact CD2-CD1 3.7Å; L76-L135 HydrophobicContact CD2-CD2 3.7Å; L76-L135 HydrophobicContact CD2-CG 4.22Å; L76-L135 HydrophobicContact CG-CD2 3.79Å |
| 77 | A | 85 | Confident | 80.2 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M73 V74 W79 L80 L81 I105 L135 L138 | M73-A77 WeakPolarHBondContact O-CB 3.46Å; M73-A77 PolarHBondContact O-N 3.16Å; V74-A77 PolarHBondContact O-N 3.5Å; A77-W79 VanDerWaalsContact C-N 3.33Å; A77-W79 PolarHBondContact O-N 3.45Å; A77-L80 PolarHBondContact O-N 3.07Å; A77-L81 WeakPolarHBondContact O-CB 3.46Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 3.11Å; A77-I105 HydrophobicContact CB-CD1 3.96Å; A77-I105 HydrophobicContact CB-CG2 4.21Å; A77-L135 HydrophobicContact CB-CD2 4.05Å; A77-L138 HydrophobicContact CB-CD1 3.86Å |
| 78 | A | 83.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V74 S75 L76 L81 R82 F89 | V74-A78 WeakPolarHBondContact O-CB 3.12Å; V74-A78 PolarHBondContact O-N 2.92Å; S75-A78 PolarHBondContact O-N 3.45Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.21Å; A78-L81 PolarHBondContact O-N 3.1Å; A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å; A78-R82 VanDerWaalsContact O-N 3.14Å; A78-F89 HydrophobicContact CB-CD1 3.71Å; A78-F89 HydrophobicContact CB-CE1 3.85Å |
| 79 | W | 83 | Confident | 78.7 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 175.8 | 179.7 | 85.3 | 0 | 0 | 0 | 112.4 | L36 L39 M41 E44 F45 S75 L76 A77 L81 R82 K83 | L36-W79 HydrophobicContact CD2-CZ3 4.37Å; L39-W79 HydrophobicContact CB-CH2 3.77Å; L39-W79 HydrophobicContact CB-CZ3 4.2Å; L39-W79 HydrophobicContact CD1-CZ3 4.48Å; L39-W79 WeakPolarHBondContact O-CH2 3.24Å; M41-W79 HydrophobicContact CB-CH2 4.46Å; M41-W79 HydrophobicContact CG-CE3 4.32Å; M41-W79 HydrophobicContact CG-CH2 3.45Å; M41-W79 VanDerWaalsContact CG-CH2 3.45Å; M41-W79 HydrophobicContact CG-CZ2 4.25Å; M41-W79 HydrophobicContact CG-CZ3 3.51Å; M41-W79 HydrophobicContact SD-CD2 3.85Å; M41-W79 HydrophobicContact SD-CE3 3.32Å; M41-W79 HydrophobicContact SD-CH2 3.46Å; M41-W79 WeakPolarHBondContact SD-CH2 3.32Å; M41-W79 HydrophobicContact SD-CZ2 3.97Å; M41-W79 HydrophobicContact SD-CZ3 3.12Å; M41-W79 WeakPolarHBondContact SD-CZ3 3.28Å; E44-W79 HydrophobicContact CB-CZ2 4.13Å; F45-W79 HydrophobicContact CB-CD2 4.23Å; F45-W79 HydrophobicContact CB-CG 4.39Å; F45-W79 HydrophobicContact CB-CZ2 4.46Å; F45-W79 HydrophobicContact CD2-CB 3.56Å; F45-W79 AromaticContact CD2-CD1 3.86Å; F45-W79 AromaticContact CD2-CD2 3.99Å; F45-W79 HydrophobicContact CD2-CD2 3.99Å; F45-W79 AromaticContact CD2-CG 3.51Å; F45-W79 HydrophobicContact CD2-CG 3.51Å; F45-W79 HydrophobicContact CE2-CB 3.8Å; F45-W79 HydrophobicContact CE2-CG 4.25Å; F45-W79 HydrophobicContact CG-CG 4.4Å; S75-W79 PolarHBondContact O-N 2.89Å; L76-W79 HydrophobicContact CD1-CE3 4.37Å; L76-W79 PolarHBondContact O-N 3.37Å; A77-W79 VanDerWaalsContact C-N 3.33Å; A77-W79 PolarHBondContact O-N 3.45Å; W79-L81 VanDerWaalsContact C-N 3.34Å; W79-L81 PolarHBondContact O-N 3.49Å; W79-R82 WeakPolarHBondContact O-CB 3.41Å; W79-R82 PolarHBondContact O-N 3.07Å; W79-R82 VanDerWaalsContact O-N 3.16Å; W79-K83 HydrophobicContact CD2-CG 4.46Å; W79-K83 HydrophobicContact CH2-CG 4.27Å; W79-K83 HydrophobicContact CZ2-CG 4.18Å; W79-K83 HydrophobicContact CZ3-CG 4.44Å; W79-K83 PolarHBondContact O-N 3.17Å; W79-K83 VanDerWaalsContact O-N 3.14Å |
| 80 | L | 83.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.5 | -71.2 | 171.2 | 0 | 0 | 0 | 111.5 | L36 L39 L76 A77 R82 K83 C84 L135 L138 A139 A142 | L36-L80 HydrophobicContact CD2-CD1 4.42Å; L36-L80 HydrophobicContact CD2-CD2 3.96Å; L39-L80 HydrophobicContact CD1-CD2 3.82Å; L76-L80 HydrophobicContact CG-CD1 4.26Å; L76-L80 WeakPolarHBondContact O-CG 3.12Å; L76-L80 PolarHBondContact O-N 3.23Å; A77-L80 PolarHBondContact O-N 3.07Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.15Å; L80-K83 CarbonylContact O-C 3.59Å; L80-K83 WeakPolarHBondContact O-CA 3.41Å; L80-K83 WeakPolarHBondContact O-CB 3.36Å; L80-K83 PolarHBondContact O-N 3.4Å; L80-C84 PolarHBondContact O-N 3.44Å; L80-C84 PolarHBondContact O-SG 3.29Å; L80-L135 HydrophobicContact CD1-CD2 4.09Å; L80-L138 HydrophobicContact CB-CB 3.97Å; L80-L138 HydrophobicContact CD1-CB 3.75Å; L80-L138 HydrophobicContact CG-CB 4.46Å; L80-A139 HydrophobicContact CD1-CB 4.43Å; L80-A139 HydrophobicContact CD2-CB 4.29Å; L80-A142 HydrophobicContact CD2-CB 4.21Å |
| 81 | L | 83 | Confident | 76.9 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -34.8 | 175.9 | -77.2 | 172.6 | 0 | 0 | 0 | 113.1 | A77 A78 W79 K83 C84 G85 N86 F89 I105 E108 L112 L138 | A77-L81 WeakPolarHBondContact O-CB 3.46Å; A77-L81 WeakPolarHBondContact O-CG 3.46Å; A77-L81 PolarHBondContact O-N 3.11Å; A78-L81 PolarHBondContact O-N 3.1Å; W79-L81 VanDerWaalsContact C-N 3.34Å; W79-L81 PolarHBondContact O-N 3.49Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-C84 PolarHBondContact O-N 2.86Å; L81-G85 PolarHBondContact O-N 2.89Å; L81-N86 PolarHBondContact O-N 3.21Å; L81-F89 HydrophobicContact CD1-CD1 4.44Å; L81-F89 HydrophobicContact CD1-CD2 4.41Å; L81-F89 HydrophobicContact CD1-CE1 4.3Å; L81-F89 HydrophobicContact CD1-CE2 4.26Å; L81-F89 HydrophobicContact CD1-CG 4.5Å; L81-F89 HydrophobicContact CD1-CZ 4.2Å; L81-I105 HydrophobicContact CD1-CB 4.39Å; L81-I105 HydrophobicContact CD1-CG1 4.24Å; L81-I105 HydrophobicContact CD1-CG2 4.09Å; L81-E108 HydrophobicContact CD1-CB 4.04Å; L81-E108 HydrophobicContact CD1-CG 4.29Å; L81-E108 HydrophobicContact CD2-CB 4.12Å; L81-E108 HydrophobicContact CD2-CG 3.98Å; L81-L112 HydrophobicContact CD2-CD1 3.72Å; L81-L138 HydrophobicContact CD2-CD2 3.65Å; L81-L138 HydrophobicContact CG-CD2 4.08Å |
| 82 | R | 83.1 | Confident | 76.2 | Confident | 70 Ų | 70 | 32 Ų | 32 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 173.2 | -71.1 | 168 | 173.7 | -150.9 | -6.3 | 111.5 | A78 W79 L80 C84 G85 N86 F89 L91 | A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å; A78-R82 VanDerWaalsContact O-N 3.14Å; W79-R82 WeakPolarHBondContact O-CB 3.41Å; W79-R82 PolarHBondContact O-N 3.07Å; W79-R82 VanDerWaalsContact O-N 3.16Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.15Å; R82-C84 VanDerWaalsContact C-N 3.33Å; R82-G85 PolarHBondContact O-N 3.41Å; R82-N86 WeakPolarHBondContact CA-O 3.26Å; R82-F89 HydrophobicContact CG-CB 4.35Å; R82-F89 VanDerWaalsContact CZ-O 3.28Å; R82-F89 PolarHBondContact NE-O 3.48Å; R82-F89 PolarHBondContact NH2-O 3.42Å; R82-L91 VanDerWaalsContact CZ-CD1 3.44Å; R82-L91 VanDerWaalsContact NH1-CD1 3.28Å |
| 83 | K | 77.4 | Confident | 75.4 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.239 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 174.5 | -69.3 | -69.9 | -172.7 | 173.1 | 0 | 112.7 | E44 W79 L80 L81 G85 A142 | E44-K83 IonicContact OE1-NZ 2.89Å; E44-K83 PolarHBondContact OE1-NZ 3.43Å; E44-K83 WeakPolarHBondContact OE2-CE 3.44Å; E44-K83 IonicContact OE2-NZ 2.83Å; E44-K83 PolarHBondContact OE2-NZ 2.92Å; W79-K83 HydrophobicContact CD2-CG 4.46Å; W79-K83 HydrophobicContact CH2-CG 4.27Å; W79-K83 HydrophobicContact CZ2-CG 4.18Å; W79-K83 HydrophobicContact CZ3-CG 4.44Å; W79-K83 PolarHBondContact O-N 3.17Å; W79-K83 VanDerWaalsContact O-N 3.14Å; L80-K83 CarbonylContact O-C 3.59Å; L80-K83 WeakPolarHBondContact O-CA 3.41Å; L80-K83 WeakPolarHBondContact O-CB 3.36Å; L80-K83 PolarHBondContact O-N 3.4Å; L81-K83 VanDerWaalsContact C-N 3.33Å; K83-G85 PolarHBondContact O-N 2.83Å; K83-A142 HydrophobicContact CB-CB 4.09Å |
| 84 | C | 74.9 | Confident | 74.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -2.6 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | L80 L81 R82 L112 A142 R145 | L80-C84 PolarHBondContact O-N 3.44Å; L80-C84 PolarHBondContact O-SG 3.29Å; L81-C84 PolarHBondContact O-N 2.86Å; R82-C84 VanDerWaalsContact C-N 3.33Å; C84-L112 HydrophobicContact CB-CD1 3.95Å; C84-A142 VanDerWaalsContact SG-CA 3.5Å; C84-A142 PolarHBondContact SG-N 3.49Å; C84-R145 WeakPolarHBondContact O-CD 3.41Å; C84-R145 PolarHBondContact O-NE 3.46Å; C84-R145 PolarHBondContact O-NH1 3.26Å |
| 85 | G | 68.3 | Low | 73.3 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.5 | 15.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L81 R82 K83 P87 | L81-G85 PolarHBondContact O-N 2.89Å; R82-G85 PolarHBondContact O-N 3.41Å; K83-G85 PolarHBondContact O-N 2.83Å; G85-P87 WeakPolarHBondContact O-CD 3.49Å |
| 86 | N | 67.7 | Low | 72.6 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | trans | -115.5 | 80.8 | 170.1 | -156.2 | -17 | 0 | 0 | 0 | 112.2 | L81 R82 N88 F89 E108 | L81-N86 PolarHBondContact O-N 3.21Å; R82-N86 WeakPolarHBondContact CA-O 3.26Å; N86-N88 PolarHBondContact O-N 2.84Å; N86-N88 VanDerWaalsContact O-N 3.13Å; N86-F89 PolarHBondContact O-N 3.46Å; N86-E108 VanDerWaalsContact ND2-CD 3.3Å; N86-E108 PolarHBondContact ND2-OE1 2.96Å | ||
| 87 | P | 61.9 | Low | 72.3 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.2 | -171 | 24.3 | -33.2 | 0 | 0 | 0 | 114.1 | G85 | G85-P87 WeakPolarHBondContact O-CD 3.49Š|
| 88 | N | 61.2 | Low | 71.9 | Confident | 145 Ų | 145 | 65 Ų | 65 | 78% | 0.775 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 10.6 | -177 | -72.6 | -18.6 | 0 | 0 | 0 | 114.1 | N86 P90 | N86-N88 PolarHBondContact O-N 2.84Å; N86-N88 VanDerWaalsContact O-N 3.13Å; N88-P90 WeakPolarHBondContact O-CD 3.43Å |
| 89 | F | 67.9 | Low | 71.7 | Confident | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.096 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -64 | 121.6 | 176.6 | -166.2 | -94.2 | 0 | 0 | 0 | 110 | A78 L81 R82 N86 L91 I105 E108 | A78-F89 HydrophobicContact CB-CD1 3.71Å; A78-F89 HydrophobicContact CB-CE1 3.85Å; L81-F89 HydrophobicContact CD1-CD1 4.44Å; L81-F89 HydrophobicContact CD1-CD2 4.41Å; L81-F89 HydrophobicContact CD1-CE1 4.3Å; L81-F89 HydrophobicContact CD1-CE2 4.26Å; L81-F89 HydrophobicContact CD1-CG 4.5Å; L81-F89 HydrophobicContact CD1-CZ 4.2Å; R82-F89 HydrophobicContact CG-CB 4.35Å; R82-F89 VanDerWaalsContact CZ-O 3.28Å; R82-F89 PolarHBondContact NE-O 3.48Å; R82-F89 PolarHBondContact NH2-O 3.42Å; N86-F89 PolarHBondContact O-N 3.46Å; F89-L91 PolarHBondContact O-N 3.25Å; F89-I105 HydrophobicContact CE1-CG1 4Å; F89-I105 HydrophobicContact CZ-CG1 3.71Å; F89-E108 HydrophobicContact CD2-CG 4.45Å; F89-E108 HydrophobicContact CE2-CB 4.42Å |
| 90 | P | 64.9 | Low | 71.5 | Confident | 94 Ų | 94 | 70.5 Ų | 70.5 | 61% | 0.61 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.9 | -174.3 | 25.3 | -32.2 | 0 | 0 | 0 | 110.6 | N88 | N88-P90 WeakPolarHBondContact O-CD 3.43Š|
| 91 | L | 67.2 | Low | 71.4 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 136.1 | 167.4 | -79.5 | 119.5 | 0 | 0 | 0 | 108.4 | L48 R82 F89 K93 | L48-L91 HydrophobicContact CD2-CD1 4.1Å; L48-L91 HydrophobicContact CD2-CD2 4.03Å; R82-L91 VanDerWaalsContact CZ-CD1 3.44Å; R82-L91 VanDerWaalsContact NH1-CD1 3.28Å; F89-L91 PolarHBondContact O-N 3.25Å; L91-K93 PolarHBondContact O-N 3Å |
| 92 | P | 66.6 | Low | 71.3 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 135.1 | 177 | -12.7 | 25.7 | 0 | 0 | 0 | 110.4 | V74 V101 | V74-P92 HydrophobicContact CB-CG 4.09Å; V74-P92 HydrophobicContact CG1-CB 3.87Å; V74-P92 HydrophobicContact CG1-CG 3.2Å; P92-V101 HydrophobicContact CB-CG1 4.13Å; P92-V101 HydrophobicContact CG-CG1 4.05Å |
| 93 | K | 65.5 | Low | 71.2 | Confident | 153 Ų | 153 | 70.7 Ų | 70.7 | 67% | 0.665 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 154.9 | 167.5 | -65.8 | -179.6 | 179.8 | 179 | 0 | 109.7 | L91 D95 D96 | L91-K93 PolarHBondContact O-N 3Å; K93-D95 PolarHBondContact O-N 3.05Å; K93-D95 VanDerWaalsContact O-N 3.07Å; K93-D96 PolarHBondContact N-OD2 3.23Å; K93-D96 WeakPolarHBondContact O-CB 3.37Å; K93-D96 PolarHBondContact O-N 3.18Å |
| 94 | E | 64.5 | Low | 71.4 | Confident | 154 Ų | 154 | 69.3 Ų | 69.3 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.7 | -180 | -68.2 | -176.4 | 170 | 0 | 0 | 113 | F71 | F71-E94 HydrophobicContact CD2-CG 4.41Å; F71-E94 HydrophobicContact CE2-CG 3.96Å; F71-E94 HydrophobicContact CZ-CG 4.22Å |
| 95 | D | 62.6 | Low | 71.8 | Confident | 152 Ų | 152 | 69.2 Ų | 69.2 | 81% | 0.813 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.4 | -179.6 | -54.5 | -45.6 | 0 | 0 | 0 | 114.3 | K93 | K93-D95 PolarHBondContact O-N 3.05Å; K93-D95 VanDerWaalsContact O-N 3.07Å |
| 96 | D | 69.1 | Low | 72.5 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -76 | 135.4 | -175.5 | -73.9 | -36.2 | 0 | 0 | 0 | 111.7 | K93 P98 V101 | K93-D96 PolarHBondContact N-OD2 3.23Å; K93-D96 WeakPolarHBondContact O-CB 3.37Å; K93-D96 PolarHBondContact O-N 3.18Å; D96-P98 VanDerWaalsContact O-N 3.16Å; D96-V101 HydrophobicContact CB-CG2 3.54Å |
| 97 | N | 77.1 | Confident | 73.1 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | trans | -58.3 | 120.9 | 179.6 | -77.2 | -57.9 | 0 | 0 | 0 | 110.8 | S99 S100 V101 | N97-S99 PolarHBondContact O-N 2.87Å; N97-S100 WeakPolarHBondContact O-CA 3.18Å; N97-S100 WeakPolarHBondContact O-CB 3.06Å; N97-S100 PolarHBondContact O-N 3.42Å; N97-V101 PolarHBondContact O-N 2.9Å; N97-V101 VanDerWaalsContact O-N 3.16Å | ||
| 98 | P | 76.2 | Confident | 73.9 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -30.6 | -169.1 | 22 | -34 | 0 | 0 | 0 | 112.9 | F70 D96 L102 | F70-P98 HydrophobicContact CD1-CB 4.44Å; F70-P98 HydrophobicContact CE1-CB 3.49Å; F70-P98 VanDerWaalsContact CE1-CB 3.49Å; F70-P98 HydrophobicContact CE2-CB 4.49Å; F70-P98 HydrophobicContact CZ-CB 3.51Å; D96-P98 VanDerWaalsContact O-N 3.16Å; P98-L102 WeakPolarHBondContact O-CB 3.41Å; P98-L102 VanDerWaalsContact O-CG 3.28Å; P98-L102 WeakPolarHBondContact O-CG 3.23Å; P98-L102 PolarHBondContact O-N 3.27Å |
| 99 | S | 79.4 | Confident | 74.7 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.5 | -32.5 | 176.7 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | N97 S103 R124 | N97-S99 PolarHBondContact O-N 2.87Å; S99-S103 VanDerWaalsContact O-CB 3.28Å; S99-S103 WeakPolarHBondContact O-CB 3.39Å; S99-S103 PolarHBondContact O-N 2.97Å; S99-S103 PolarHBondContact O-OG 3.44Å; S99-R124 PolarHBondContact OG-NH2 3.34Å |
| 100 | S | 79.9 | Confident | 75.3 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.8 | -43.2 | 179.8 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | N97 S103 G104 | N97-S100 WeakPolarHBondContact O-CA 3.18Å; N97-S100 WeakPolarHBondContact O-CB 3.06Å; N97-S100 PolarHBondContact O-N 3.42Å; S100-S103 PolarHBondContact O-N 3.41Å; S100-G104 PolarHBondContact O-N 3.36Å |
| 101 | V | 81.6 | Confident | 76 | Confident | 22 Ų | 22 | 67 Ų | 67 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 178.1 | -166.2 | 0 | 0 | 0 | 0 | 111.5 | V74 P92 D96 N97 S103 G104 I105 | V74-V101 HydrophobicContact CG1-CB 4.18Å; V74-V101 HydrophobicContact CG1-CG1 3.29Å; P92-V101 HydrophobicContact CB-CG1 4.13Å; P92-V101 HydrophobicContact CG-CG1 4.05Å; D96-V101 HydrophobicContact CB-CG2 3.54Å; N97-V101 PolarHBondContact O-N 2.9Å; N97-V101 VanDerWaalsContact O-N 3.16Å; V101-S103 VanDerWaalsContact C-N 3.32Å; V101-S103 PolarHBondContact O-N 2.93Å; V101-G104 PolarHBondContact O-N 3.15Å; V101-G104 VanDerWaalsContact O-N 3.15Å; V101-I105 HydrophobicContact CG1-CD1 4.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.35Å; V101-I105 PolarHBondContact O-N 3.47Å |
| 102 | L | 81.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 173.1 | -77.4 | 177.1 | 0 | 0 | 0 | 112.2 | F70 M73 V74 P98 G104 I105 L106 L123 | F70-L102 HydrophobicContact CE2-CD1 3.76Å; F70-L102 HydrophobicContact CE2-CD2 3.94Å; F70-L102 HydrophobicContact CE2-CG 3.78Å; F70-L102 HydrophobicContact CZ-CD1 4.18Å; F70-L102 HydrophobicContact CZ-CD2 4.42Å; F70-L102 HydrophobicContact CZ-CG 3.94Å; M73-L102 HydrophobicContact CE-CD2 4.08Å; V74-L102 HydrophobicContact CG2-CD2 4.47Å; P98-L102 WeakPolarHBondContact O-CB 3.41Å; P98-L102 VanDerWaalsContact O-CG 3.28Å; P98-L102 WeakPolarHBondContact O-CG 3.23Å; P98-L102 PolarHBondContact O-N 3.27Å; L102-G104 VanDerWaalsContact C-N 3.29Å; L102-G104 PolarHBondContact O-N 3.01Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.46Å; L102-L106 PolarHBondContact O-N 2.86Å; L102-L123 HydrophobicContact CD1-CB 3.87Å; L102-L123 HydrophobicContact CD2-CB 3.85Å; L102-L123 HydrophobicContact CD2-CD1 4.19Å |
| 103 | S | 81 | Confident | 76.3 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 176.7 | -58 | 0 | 0 | 0 | 0 | 111.4 | S99 S100 V101 N107 | S99-S103 VanDerWaalsContact O-CB 3.28Å; S99-S103 WeakPolarHBondContact O-CB 3.39Å; S99-S103 PolarHBondContact O-N 2.97Å; S99-S103 PolarHBondContact O-OG 3.44Å; S100-S103 PolarHBondContact O-N 3.41Å; V101-S103 VanDerWaalsContact C-N 3.32Å; V101-S103 PolarHBondContact O-N 2.93Å; S103-N107 VanDerWaalsContact O-CB 3.28Å; S103-N107 WeakPolarHBondContact O-CB 3.27Å; S103-N107 PolarHBondContact O-N 2.7Å; S103-N107 PolarHBondContact O-ND2 3.43Å |
| 104 | G | 81.3 | Confident | 76.2 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S100 V101 L102 N107 E108 | S100-G104 PolarHBondContact O-N 3.36Å; V101-G104 PolarHBondContact O-N 3.15Å; V101-G104 VanDerWaalsContact O-N 3.15Å; L102-G104 VanDerWaalsContact C-N 3.29Å; L102-G104 PolarHBondContact O-N 3.01Å; G104-N107 PolarHBondContact O-N 3.37Å; G104-E108 PolarHBondContact O-N 3.44Å |
| 105 | I | 83 | Confident | 75.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.3 | -67.5 | 168.9 | 0 | 0 | 0 | 110.8 | V74 A77 L81 F89 V101 L102 N107 E108 M109 | V74-I105 HydrophobicContact CB-CD1 4.33Å; V74-I105 HydrophobicContact CG1-CD1 3.57Å; A77-I105 HydrophobicContact CB-CD1 3.96Å; A77-I105 HydrophobicContact CB-CG2 4.21Å; L81-I105 HydrophobicContact CD1-CB 4.39Å; L81-I105 HydrophobicContact CD1-CG1 4.24Å; L81-I105 HydrophobicContact CD1-CG2 4.09Å; F89-I105 HydrophobicContact CE1-CG1 4Å; F89-I105 HydrophobicContact CZ-CG1 3.71Å; V101-I105 HydrophobicContact CG1-CD1 4.27Å; V101-I105 WeakPolarHBondContact O-CG1 3.35Å; V101-I105 PolarHBondContact O-N 3.47Å; L102-I105 PolarHBondContact O-N 2.86Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 2.89Å; I105-E108 PolarHBondContact O-N 3.4Å; I105-E108 VanDerWaalsContact O-N 3.15Å; I105-M109 HydrophobicContact CG2-SD 4.39Å; I105-M109 WeakPolarHBondContact O-CG 3.09Å; I105-M109 PolarHBondContact O-N 3.35Å |
| 106 | L | 82.2 | Confident | 75.6 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 179.8 | -71.7 | 171.6 | 0 | 0 | 0 | 112.4 | L102 E108 M109 K110 Y118 T120 L123 L134 | L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.46Å; L102-L106 PolarHBondContact O-N 2.86Å; L106-E108 VanDerWaalsContact C-N 3.3Å; L106-M109 PolarHBondContact O-N 3.47Å; L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.69Å; L106-Y118 HydrophobicContact CD2-CD2 4.01Å; L106-T120 HydrophobicContact CD1-CG2 3.82Å; L106-L123 HydrophobicContact CD1-CD1 4.46Å; L106-L123 HydrophobicContact CD2-CD1 4.39Å; L106-L134 HydrophobicContact CD2-CD1 4.26Å |
| 107 | N | 81.3 | Confident | 75.3 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 174.3 | -75.7 | -18.8 | 0 | 0 | 0 | 111.6 | S103 G104 I105 K110 K111 | S103-N107 VanDerWaalsContact O-CB 3.28Å; S103-N107 WeakPolarHBondContact O-CB 3.27Å; S103-N107 PolarHBondContact O-N 2.7Å; S103-N107 PolarHBondContact O-ND2 3.43Å; G104-N107 PolarHBondContact O-N 3.37Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 2.89Å; N107-K110 PolarHBondContact O-N 3.09Å; N107-K111 WeakPolarHBondContact O-CG 3.33Å; N107-K111 PolarHBondContact O-N 3.22Å; N107-K111 VanDerWaalsContact O-N 3.17Å |
| 108 | E | 78.3 | Confident | 75.1 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.2 | -37.1 | 176.9 | -152.6 | 58.7 | -150.9 | 0 | 0 | 111.9 | L81 N86 F89 G104 I105 L106 K110 K111 L112 | L81-E108 HydrophobicContact CD1-CB 4.04Å; L81-E108 HydrophobicContact CD1-CG 4.29Å; L81-E108 HydrophobicContact CD2-CB 4.12Å; L81-E108 HydrophobicContact CD2-CG 3.98Å; N86-E108 VanDerWaalsContact ND2-CD 3.3Å; N86-E108 PolarHBondContact ND2-OE1 2.96Å; F89-E108 HydrophobicContact CD2-CG 4.45Å; F89-E108 HydrophobicContact CE2-CB 4.42Å; G104-E108 PolarHBondContact O-N 3.44Å; I105-E108 PolarHBondContact O-N 3.4Å; I105-E108 VanDerWaalsContact O-N 3.15Å; L106-E108 VanDerWaalsContact C-N 3.3Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.48Å; E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 2.9Å; E108-K111 IonicContact OE1-NZ 2.85Å; E108-K111 IonicContact OE2-NZ 2.8Å; E108-K111 PolarHBondContact OE2-NZ 3.43Å; E108-L112 PolarHBondContact O-N 3.41Å; E108-L112 VanDerWaalsContact O-N 3.16Å |
| 109 | M | 78.7 | Confident | 74.9 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 171.3 | -72.6 | -173.4 | 78.2 | 0 | 0 | 112.7 | I105 L106 K111 L112 M114 L134 L138 | I105-M109 HydrophobicContact CG2-SD 4.39Å; I105-M109 WeakPolarHBondContact O-CG 3.09Å; I105-M109 PolarHBondContact O-N 3.35Å; L106-M109 PolarHBondContact O-N 3.47Å; M109-K111 VanDerWaalsContact C-N 3.28Å; M109-K111 PolarHBondContact O-N 3Å; M109-L112 PolarHBondContact O-N 2.9Å; M109-L112 VanDerWaalsContact O-N 3.14Å; M109-M114 HydrophobicContact CE-CB 4.44Å; M109-M114 HydrophobicContact CE-CE 3.64Å; M109-M114 HydrophobicContact CE-SD 4.02Å; M109-M114 PolarHBondContact O-N 3.38Å; M109-L134 HydrophobicContact CE-CD1 3.89Å; M109-L134 HydrophobicContact SD-CD1 3.23Å; M109-L134 WeakPolarHBondContact SD-CD1 3.34Å; M109-L134 HydrophobicContact SD-CG 4.04Å; M109-L138 HydrophobicContact CE-CD2 4Å; M109-L138 HydrophobicContact CE-CG 3.81Å; M109-L138 HydrophobicContact CG-CD2 3.77Å; M109-L138 HydrophobicContact CG-CG 4.37Å; M109-L138 HydrophobicContact SD-CD1 4.08Å; M109-L138 HydrophobicContact SD-CD2 4.04Å; M109-L138 HydrophobicContact SD-CG 3.97Å |
| 110 | K | 80.7 | Confident | 74.6 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -36.2 | 173.9 | -76.7 | -179.9 | -179.6 | -173.4 | 0 | 112.3 | L106 N107 E108 L112 E113 | L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.69Å; N107-K110 PolarHBondContact O-N 3.09Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.29Å; K110-E113 PolarHBondContact O-N 3.44Å |
| 111 | K | 79.7 | Confident | 74.3 | Confident | 143 Ų | 143 | 61.1 Ų | 61.1 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.8 | -29 | 175.3 | -68.5 | 175.9 | -166.4 | 163.8 | 0 | 112.8 | N107 E108 M109 E113 | N107-K111 WeakPolarHBondContact O-CG 3.33Å; N107-K111 PolarHBondContact O-N 3.22Å; N107-K111 VanDerWaalsContact O-N 3.17Å; E108-K111 WeakPolarHBondContact O-CB 3.35Å; E108-K111 PolarHBondContact O-N 2.9Å; E108-K111 IonicContact OE1-NZ 2.85Å; E108-K111 IonicContact OE2-NZ 2.8Å; E108-K111 PolarHBondContact OE2-NZ 3.43Å; M109-K111 VanDerWaalsContact C-N 3.28Å; M109-K111 PolarHBondContact O-N 3Å; K111-E113 PolarHBondContact O-N 3.18Å |
| 112 | L | 71.7 | Confident | 74.2 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 13.4 | 174.1 | -66 | 170.6 | 0 | 0 | 0 | 112.8 | L81 C84 E108 M109 K110 M114 | L81-L112 HydrophobicContact CD2-CD1 3.72Å; C84-L112 HydrophobicContact CB-CD1 3.95Å; E108-L112 PolarHBondContact O-N 3.41Å; E108-L112 VanDerWaalsContact O-N 3.16Å; M109-L112 PolarHBondContact O-N 2.9Å; M109-L112 VanDerWaalsContact O-N 3.14Å; K110-L112 VanDerWaalsContact C-N 3.29Å; L112-M114 HydrophobicContact CB-CG 4.2Å; L112-M114 HydrophobicContact CB-SD 4.25Å; L112-M114 PolarHBondContact O-N 2.88Å |
| 113 | E | 68 | Low | 74 | Confident | 183 Ų | 183 | 66.7 Ų | 66.7 | 86% | 0.855 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 22.4 | -178.5 | -60.6 | -173.2 | 162.2 | 0 | 0 | 114.5 | K110 K111 A115 | K110-E113 PolarHBondContact O-N 3.44Å; K111-E113 PolarHBondContact O-N 3.18Å; E113-A115 PolarHBondContact O-N 3.49Å |
| 114 | M | 62.7 | Low | 73.9 | Confident | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | trans | -87.8 | 102.3 | 177.5 | -59.9 | 176.5 | 71.7 | 0 | 0 | 109.9 | M109 L112 V116 C137 L138 E141 | M109-M114 HydrophobicContact CE-CB 4.44Å; M109-M114 HydrophobicContact CE-CE 3.64Å; M109-M114 HydrophobicContact CE-SD 4.02Å; M109-M114 PolarHBondContact O-N 3.38Å; L112-M114 HydrophobicContact CB-CG 4.2Å; L112-M114 HydrophobicContact CB-SD 4.25Å; L112-M114 PolarHBondContact O-N 2.88Å; M114-V116 PolarHBondContact O-N 3.46Å; M114-V116 VanDerWaalsContact O-N 3.09Å; M114-C137 HydrophobicContact CE-CB 3.26Å; M114-C137 WeakPolarHBondContact CE-O 3.42Å; M114-L138 HydrophobicContact SD-CD2 4.41Å; M114-E141 HydrophobicContact CE-CB 4.48Å; M114-E141 HydrophobicContact SD-CB 4.07Å; M114-E141 HydrophobicContact SD-CG 4.24Å | ||
| 115 | A | 52.9 | Low | 73.8 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | trans | -79.5 | 89.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E113 | E113-A115 PolarHBondContact O-N 3.49Š| ||
| 116 | V | 61.5 | Low | 73.3 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | trans | -138 | 112.1 | 168.1 | -151.9 | 0 | 0 | 0 | 0 | 112.8 | M114 Y118 | M114-V116 PolarHBondContact O-N 3.46Å; M114-V116 VanDerWaalsContact O-N 3.09Å; V116-Y118 HydrophobicContact CB-CD2 3.8Å; V116-Y118 HydrophobicContact CB-CE1 4.37Å; V116-Y118 HydrophobicContact CB-CE2 3.28Å; V116-Y118 HydrophobicContact CG1-CD1 3.96Å; V116-Y118 HydrophobicContact CG1-CD2 3.83Å; V116-Y118 HydrophobicContact CG1-CE1 3.43Å; V116-Y118 VanDerWaalsContact CG1-CE1 3.43Å; V116-Y118 HydrophobicContact CG1-CE2 3.31Å; V116-Y118 HydrophobicContact CG1-CG 4.15Å; V116-Y118 WeakPolarHBondContact CG1-OH 3.29Å; V116-Y118 HydrophobicContact CG2-CE2 3.95Å; V116-Y118 PolarHBondContact O-N 3.15Å; V116-Y118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | D | 63.4 | Low | 73.1 | Confident | 158 Ų | 158 | 72.6 Ų | 72.6 | 85% | 0.845 | 37% | 0.374 | S | S | * | . | trans | -83 | 78.4 | 177.1 | -73.6 | -37.9 | 0 | 0 | 0 | 110.6 | ||||
| 118 | Y | 71.6 | Confident | 73.1 | Confident | 30 Ų | 30 | 69 Ų | 69 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | trans | -82.5 | 134.2 | 172.8 | -59.5 | -69.5 | 0 | 0 | 0 | 111.3 | L106 V116 T120 L123 E130 Q133 L134 | L106-Y118 HydrophobicContact CD2-CD2 4.01Å; V116-Y118 HydrophobicContact CB-CD2 3.8Å; V116-Y118 HydrophobicContact CB-CE1 4.37Å; V116-Y118 HydrophobicContact CB-CE2 3.28Å; V116-Y118 HydrophobicContact CG1-CD1 3.96Å; V116-Y118 HydrophobicContact CG1-CD2 3.83Å; V116-Y118 HydrophobicContact CG1-CE1 3.43Å; V116-Y118 VanDerWaalsContact CG1-CE1 3.43Å; V116-Y118 HydrophobicContact CG1-CE2 3.31Å; V116-Y118 HydrophobicContact CG1-CG 4.15Å; V116-Y118 WeakPolarHBondContact CG1-OH 3.29Å; V116-Y118 HydrophobicContact CG2-CE2 3.95Å; V116-Y118 PolarHBondContact O-N 3.15Å; V116-Y118 VanDerWaalsContact O-N 3.11Å; Y118-T120 PolarHBondContact O-N 3.34Å; Y118-L123 HydrophobicContact CG-CD1 4.35Å; Y118-E130 HydrophobicContact CD1-CB 4.16Å; Y118-E130 HydrophobicContact CE1-CB 4.47Å; Y118-Q133 HydrophobicContact CE1-CB 4.31Å; Y118-Q133 WeakPolarHBondContact OH-CG 3.38Å; Y118-L134 HydrophobicContact CD2-CD1 3.55Å; Y118-L134 HydrophobicContact CE2-CB 4.13Å; Y118-L134 HydrophobicContact CE2-CD1 3.4Å; Y118-L134 HydrophobicContact CE2-CG 4.4Å; Y118-L134 PolarHBondContact OH-N 3.5Å | ||
| 119 | S | 72.8 | Confident | 73.4 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | trans | -70.7 | 121.7 | 170.3 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | S121 R122 L123 | S119-S121 PolarHBondContact O-N 2.89Å; S119-S121 VanDerWaalsContact O-N 3.08Å; S119-S121 PolarHBondContact OG-OG 3.42Å; S119-R122 PolarHBondContact O-N 2.9Å; S119-L123 PolarHBondContact O-N 2.94Å | ||
| 120 | T | 73.4 | Confident | 73.6 | Confident | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.6 | -24.4 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | L106 Y118 R124 | L106-T120 HydrophobicContact CD1-CG2 3.82Å; Y118-T120 PolarHBondContact O-N 3.34Å; T120-R124 PolarHBondContact O-N 2.95Å |
| 121 | S | 74.2 | Confident | 73.7 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.6 | -34.3 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | S119 | S119-S121 PolarHBondContact O-N 2.89Å; S119-S121 VanDerWaalsContact O-N 3.08Å; S119-S121 PolarHBondContact OG-OG 3.42Å |
| 122 | R | 77.9 | Confident | 73.9 | Confident | 140 Ų | 140 | 60 Ų | 60 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -80 | -37.7 | -179.5 | -64.4 | -168.2 | -175.5 | -159 | 0.3 | 111.8 | S119 R124 I125 E130 | S119-R122 PolarHBondContact O-N 2.9Å; R122-R124 PolarHBondContact O-N 2.95Å; R122-I125 WeakPolarHBondContact O-CB 3.28Å; R122-I125 PolarHBondContact O-N 3.06Å; R122-E130 WeakPolarHBondContact CD-OE1 3.39Å; R122-E130 IonicContact CZ-OE1 2.7Å; R122-E130 IonicContact NE-OE1 2.89Å; R122-E130 IonicContact NH1-OE1 3.37Å; R122-E130 PolarHBondContact NH1-OE1 3.35Å |
| 123 | L | 78 | Confident | 74.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -25.9 | 174.6 | -70.2 | 171.4 | 0 | 0 | 0 | 112.7 | F70 M73 L102 L106 Y118 S119 I125 G126 E130 L134 | F70-L123 WeakPolarHBondContact CD2-O 3.35Å; M73-L123 WeakPolarHBondContact CE-O 2.92Å; M73-L123 HydrophobicContact SD-CD2 4.43Å; L102-L123 HydrophobicContact CD1-CB 3.87Å; L102-L123 HydrophobicContact CD2-CB 3.85Å; L102-L123 HydrophobicContact CD2-CD1 4.19Å; L106-L123 HydrophobicContact CD1-CD1 4.46Å; L106-L123 HydrophobicContact CD2-CD1 4.39Å; Y118-L123 HydrophobicContact CG-CD1 4.35Å; S119-L123 PolarHBondContact O-N 2.94Å; L123-I125 PolarHBondContact O-N 2.88Å; L123-G126 PolarHBondContact O-N 3.36Å; L123-E130 HydrophobicContact CD2-CB 4.49Å; L123-L134 HydrophobicContact CD2-CB 4.47Å; L123-L134 HydrophobicContact CD2-CD2 4.06Å |
| 124 | R | 78.4 | Confident | 75.4 | Confident | 120 Ų | 120 | 52.8 Ų | 52.8 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.9 | 177 | -159.5 | -176.1 | -62.3 | -169 | 6.2 | 113.3 | S99 T120 R122 G126 | S99-R124 PolarHBondContact OG-NH2 3.34Å; T120-R124 PolarHBondContact O-N 2.95Å; R122-R124 PolarHBondContact O-N 2.95Å; R124-G126 PolarHBondContact O-N 3.2Å |
| 125 | I | 80.2 | Confident | 76.6 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 45% | 0.451 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -23.5 | 179.1 | -57.8 | 169.5 | 0 | 0 | 0 | 110.4 | S66 R122 L123 S127 | S66-I125 WeakPolarHBondContact CB-O 3.46Å; S66-I125 PolarHBondContact OG-O 3.17Å; R122-I125 WeakPolarHBondContact O-CB 3.28Å; R122-I125 PolarHBondContact O-N 3.06Å; L123-I125 PolarHBondContact O-N 2.88Å; I125-S127 PolarHBondContact O-N 3.4Å |
| 126 | G | 72.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 75.7 | -4.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q69 L123 R124 | Q69-G126 WeakPolarHBondContact CB-O 3.26Å; L123-G126 PolarHBondContact O-N 3.36Å; R124-G126 PolarHBondContact O-N 3.2Å |
| 127 | S | 77.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | trans | -146.6 | 139.8 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | S63 I125 | S63-S127 WeakPolarHBondContact CA-OG 3.45Å; S63-S127 VanDerWaalsContact CB-OG 3.31Å; S63-S127 WeakPolarHBondContact CB-OG 3.39Å; I125-S127 PolarHBondContact O-N 3.4Å | ||
| 128 | G | 81.8 | Confident | 80.3 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 141.4 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F60 E130 C131 I132 | F60-G128 PolarHBondContact O-N 3.25Å; F60-G128 VanDerWaalsContact O-N 3.15Å; G128-E130 VanDerWaalsContact C-N 3.33Å; G128-E130 PolarHBondContact O-N 3.46Å; G128-C131 PolarHBondContact O-N 2.96Å; G128-I132 WeakPolarHBondContact O-CG1 3.38Å; G128-I132 PolarHBondContact O-N 2.82Å; G128-I132 VanDerWaalsContact O-N 3.16Å |
| 129 | E | 83.6 | Confident | 81 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.3 | -43.3 | -177.5 | -176.2 | 170.5 | -176.6 | 0 | 0 | 111.4 | R28 C131 I132 Q133 | R28-E129 IonicContact CZ-OE1 3.74Å; R28-E129 IonicContact NH1-OE1 2.8Å; R28-E129 PolarHBondContact NH1-OE1 2.75Å; R28-E129 IonicContact NH2-OE1 2.69Å; R28-E129 PolarHBondContact NH2-OE1 2.75Å; E129-C131 VanDerWaalsContact C-N 3.31Å; E129-C131 PolarHBondContact O-N 3.31Å; E129-I132 PolarHBondContact O-N 3.2Å; E129-Q133 VanDerWaalsContact O-CB 3.32Å; E129-Q133 WeakPolarHBondContact O-CB 3.23Å; E129-Q133 PolarHBondContact O-N 3.43Å |
| 130 | E | 82 | Confident | 81.6 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.8 | -33.8 | -178.6 | -61.3 | 90.2 | 156.2 | 0 | 0 | 112.5 | Y118 R122 L123 G128 L134 | Y118-E130 HydrophobicContact CD1-CB 4.16Å; Y118-E130 HydrophobicContact CE1-CB 4.47Å; R122-E130 WeakPolarHBondContact CD-OE1 3.39Å; R122-E130 IonicContact CZ-OE1 2.7Å; R122-E130 IonicContact NE-OE1 2.89Å; R122-E130 IonicContact NH1-OE1 3.37Å; R122-E130 PolarHBondContact NH1-OE1 3.35Å; L123-E130 HydrophobicContact CD2-CB 4.49Å; G128-E130 VanDerWaalsContact C-N 3.33Å; G128-E130 PolarHBondContact O-N 3.46Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 PolarHBondContact O-N 2.84Å; E130-L134 VanDerWaalsContact O-N 3.08Å |
| 131 | C | 83.2 | Confident | 82 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71 | -43.3 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111 | M73 G128 E129 L135 | M73-C131 HydrophobicContact SD-CB 3.56Å; M73-C131 VanDerWaalsContact SD-CB 3.56Å; G128-C131 PolarHBondContact O-N 2.96Å; E129-C131 VanDerWaalsContact C-N 3.31Å; E129-C131 PolarHBondContact O-N 3.31Å; C131-L135 WeakPolarHBondContact O-CG 3.49Å; C131-L135 PolarHBondContact O-N 2.89Å |
| 132 | I | 85.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 177.6 | -62.9 | 166.8 | 0 | 0 | 0 | 109.9 | N25 R28 M29 L32 F60 G128 E129 L134 L135 D136 | N25-I132 HydrophobicContact CB-CD1 4Å; R28-I132 HydrophobicContact CB-CG2 3.85Å; M29-I132 HydrophobicContact CB-CD1 4.33Å; M29-I132 HydrophobicContact SD-CG1 4.4Å; L32-I132 HydrophobicContact CD2-CG2 4.46Å; F60-I132 HydrophobicContact CB-CD1 4.5Å; F60-I132 HydrophobicContact CB-CG1 3.97Å; G128-I132 WeakPolarHBondContact O-CG1 3.38Å; G128-I132 PolarHBondContact O-N 2.82Å; G128-I132 VanDerWaalsContact O-N 3.16Å; E129-I132 PolarHBondContact O-N 3.2Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.32Å; I132-L135 PolarHBondContact O-N 3.08Å; I132-D136 WeakPolarHBondContact O-CB 3.47Å; I132-D136 PolarHBondContact O-N 3.43Å |
| 133 | Q | 84.8 | Confident | 82.7 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 29% | 0.29 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61 | -42.8 | 179.3 | -160.7 | 80.7 | 22.3 | 0 | 0 | 111.7 | Y118 E129 L135 D136 C137 | Y118-Q133 HydrophobicContact CE1-CB 4.31Å; Y118-Q133 WeakPolarHBondContact OH-CG 3.38Å; E129-Q133 VanDerWaalsContact O-CB 3.32Å; E129-Q133 WeakPolarHBondContact O-CB 3.23Å; E129-Q133 PolarHBondContact O-N 3.43Å; Q133-L135 VanDerWaalsContact C-N 3.33Å; Q133-L135 PolarHBondContact O-N 3.38Å; Q133-D136 PolarHBondContact O-N 3.32Å; Q133-C137 PolarHBondContact O-N 2.84Å; Q133-C137 PolarHBondContact O-SG 3.39Å |
| 134 | L | 86.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.8 | -49.5 | 176.1 | -177.1 | 82.8 | 0 | 0 | 0 | 111.2 | L106 M109 Y118 L123 E130 I132 L138 | L106-L134 HydrophobicContact CD2-CD1 4.26Å; M109-L134 HydrophobicContact CE-CD1 3.89Å; M109-L134 HydrophobicContact SD-CD1 3.23Å; M109-L134 WeakPolarHBondContact SD-CD1 3.34Å; M109-L134 HydrophobicContact SD-CG 4.04Å; Y118-L134 HydrophobicContact CD2-CD1 3.55Å; Y118-L134 HydrophobicContact CE2-CB 4.13Å; Y118-L134 HydrophobicContact CE2-CD1 3.4Å; Y118-L134 HydrophobicContact CE2-CG 4.4Å; Y118-L134 PolarHBondContact OH-N 3.5Å; L123-L134 HydrophobicContact CD2-CB 4.47Å; L123-L134 HydrophobicContact CD2-CD2 4.06Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 PolarHBondContact O-N 2.84Å; E130-L134 VanDerWaalsContact O-N 3.08Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.32Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.44Å; L134-L138 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | -179.4 | -67.9 | 170.7 | 0 | 0 | 0 | 112.2 | L32 F60 M73 L76 A77 L80 C131 I132 Q133 L138 A139 | L32-L135 HydrophobicContact CD1-CB 4.14Å; L32-L135 HydrophobicContact CD2-CB 3.64Å; L32-L135 HydrophobicContact CD2-CD1 4.08Å; F60-L135 HydrophobicContact CD2-CD1 4.06Å; F60-L135 HydrophobicContact CE2-CD1 3.95Å; F60-L135 HydrophobicContact CZ-CD1 4.42Å; M73-L135 HydrophobicContact CG-CD1 4.22Å; M73-L135 HydrophobicContact CG-CG 4.5Å; L76-L135 HydrophobicContact CB-CD2 4.08Å; L76-L135 HydrophobicContact CD2-CD1 3.7Å; L76-L135 HydrophobicContact CD2-CD2 3.7Å; L76-L135 HydrophobicContact CD2-CG 4.22Å; L76-L135 HydrophobicContact CG-CD2 3.79Å; A77-L135 HydrophobicContact CB-CD2 4.05Å; L80-L135 HydrophobicContact CD1-CD2 4.09Å; C131-L135 WeakPolarHBondContact O-CG 3.49Å; C131-L135 PolarHBondContact O-N 2.89Å; I132-L135 PolarHBondContact O-N 3.08Å; Q133-L135 VanDerWaalsContact C-N 3.33Å; Q133-L135 PolarHBondContact O-N 3.38Å; L135-L138 PolarHBondContact O-N 3.26Å; L135-A139 VanDerWaalsContact O-CB 3.3Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å |
| 136 | D | 86.7 | Confident | 82.3 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 178.8 | -165.4 | 47.4 | 0 | 0 | 0 | 111.5 | K35 I132 Q133 L138 A139 D140 | K35-D136 WeakPolarHBondContact CD-OD1 3.49Å; K35-D136 WeakPolarHBondContact CE-OD1 3.45Å; K35-D136 VanDerWaalsContact NZ-CG 3.31Å; K35-D136 IonicContact NZ-OD1 2.64Å; K35-D136 PolarHBondContact NZ-OD1 3.3Å; K35-D136 IonicContact NZ-OD2 3.83Å; K35-D136 PolarHBondContact NZ-OD2 2.93Å; I132-D136 WeakPolarHBondContact O-CB 3.47Å; I132-D136 PolarHBondContact O-N 3.43Å; Q133-D136 PolarHBondContact O-N 3.32Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.26Å; D136-A139 PolarHBondContact O-N 3.41Å; D136-D140 PolarHBondContact O-N 3.47Å |
| 137 | C | 85.5 | Confident | 81.6 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.5 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | M114 Q133 A139 D140 E141 | M114-C137 HydrophobicContact CE-CB 3.26Å; M114-C137 WeakPolarHBondContact CE-O 3.42Å; Q133-C137 PolarHBondContact O-N 2.84Å; Q133-C137 PolarHBondContact O-SG 3.39Å; C137-A139 VanDerWaalsContact C-N 3.34Å; C137-D140 PolarHBondContact O-N 3.35Å; C137-E141 PolarHBondContact O-N 3.11Å; C137-E141 VanDerWaalsContact O-N 3.11Å |
| 138 | L | 84.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 175 | -78.9 | 174.5 | 0 | 0 | 0 | 112.2 | A77 L80 L81 M109 M114 L134 L135 D136 E141 A142 | A77-L138 HydrophobicContact CB-CD1 3.86Å; L80-L138 HydrophobicContact CB-CB 3.97Å; L80-L138 HydrophobicContact CD1-CB 3.75Å; L80-L138 HydrophobicContact CG-CB 4.46Å; L81-L138 HydrophobicContact CD2-CD2 3.65Å; L81-L138 HydrophobicContact CG-CD2 4.08Å; M109-L138 HydrophobicContact CE-CD2 4Å; M109-L138 HydrophobicContact CE-CG 3.81Å; M109-L138 HydrophobicContact CG-CD2 3.77Å; M109-L138 HydrophobicContact CG-CG 4.37Å; M109-L138 HydrophobicContact SD-CD1 4.08Å; M109-L138 HydrophobicContact SD-CD2 4.04Å; M109-L138 HydrophobicContact SD-CG 3.97Å; M114-L138 HydrophobicContact SD-CD2 4.41Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.44Å; L134-L138 VanDerWaalsContact O-N 3.15Å; L135-L138 PolarHBondContact O-N 3.26Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.26Å; L138-E141 PolarHBondContact O-N 3.24Å; L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 2.97Å |
| 139 | A | 85.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L32 K35 L39 L80 L135 D136 C137 A142 L143 | L32-A139 HydrophobicContact CD1-CB 3.84Å; K35-A139 HydrophobicContact CB-CB 4.17Å; K35-A139 HydrophobicContact CD-CB 4.35Å; L39-A139 HydrophobicContact CD1-CB 4.4Å; L80-A139 HydrophobicContact CD1-CB 4.43Å; L80-A139 HydrophobicContact CD2-CB 4.29Å; L135-A139 VanDerWaalsContact O-CB 3.3Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å; D136-A139 PolarHBondContact O-N 3.41Å; C137-A139 VanDerWaalsContact C-N 3.34Å; A139-A142 PolarHBondContact O-N 2.98Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.44Å; A139-L143 PolarHBondContact O-N 2.83Å |
| 140 | D | 85.1 | Confident | 76.8 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.4 | -75.5 | -27.7 | 0 | 0 | 0 | 112.2 | K35 D136 C137 A142 L143 S144 | K35-D140 WeakPolarHBondContact CD-OD1 3.47Å; K35-D140 WeakPolarHBondContact CE-OD1 3.39Å; K35-D140 IonicContact NZ-OD1 3.07Å; K35-D140 PolarHBondContact NZ-OD1 3.12Å; K35-D140 IonicContact NZ-OD2 2.75Å; K35-D140 PolarHBondContact NZ-OD2 3.29Å; D136-D140 PolarHBondContact O-N 3.47Å; C137-D140 PolarHBondContact O-N 3.35Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-L143 PolarHBondContact O-N 2.98Å; D140-S144 PolarHBondContact O-N 2.81Å |
| 141 | E | 82.6 | Confident | 74.9 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.9 | -31.3 | 176.7 | -171.6 | 58.4 | -159 | 0 | 0 | 112.2 | M114 C137 L138 S144 R145 | M114-E141 HydrophobicContact CE-CB 4.48Å; M114-E141 HydrophobicContact SD-CB 4.07Å; M114-E141 HydrophobicContact SD-CG 4.24Å; C137-E141 PolarHBondContact O-N 3.11Å; C137-E141 VanDerWaalsContact O-N 3.11Å; L138-E141 PolarHBondContact O-N 3.24Å; E141-S144 PolarHBondContact O-OG 2.88Å; E141-R145 WeakPolarHBondContact O-CG 3.37Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE1-CZ 3.88Å; E141-R145 VanDerWaalsContact OE1-CZ 3.32Å; E141-R145 IonicContact OE1-NE 3.32Å; E141-R145 PolarHBondContact OE1-NE 2.94Å; E141-R145 IonicContact OE1-NH2 2.87Å; E141-R145 PolarHBondContact OE1-NH2 2.85Å |
| 142 | A | 83.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L39 L80 K83 C84 L138 A139 D140 S144 R145 T146 | L39-A142 HydrophobicContact CD1-CB 3.85Å; L39-A142 HydrophobicContact CD2-CB 4.07Å; L80-A142 HydrophobicContact CD2-CB 4.21Å; K83-A142 HydrophobicContact CB-CB 4.09Å; C84-A142 VanDerWaalsContact SG-CA 3.5Å; C84-A142 PolarHBondContact SG-N 3.49Å; L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 2.97Å; A139-A142 PolarHBondContact O-N 2.98Å; D140-A142 VanDerWaalsContact C-N 3.34Å; A142-S144 VanDerWaalsContact C-N 3.33Å; A142-S144 PolarHBondContact O-N 2.9Å; A142-R145 PolarHBondContact O-N 3.07Å; A142-R145 VanDerWaalsContact O-N 3.16Å; A142-T146 PolarHBondContact O-N 2.93Å; A142-T146 PolarHBondContact O-OG1 3.21Å |
| 143 | L | 82.3 | Confident | 70.4 | Confident | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -37 | 179 | -78.6 | 171.3 | 0 | 0 | 0 | 112.8 | K35 L38 L39 A139 D140 R145 T146 | K35-L143 HydrophobicContact CB-CD1 3.74Å; K35-L143 HydrophobicContact CD-CD1 4.24Å; K35-L143 HydrophobicContact CG-CD1 3.76Å; L38-L143 HydrophobicContact CB-CD2 4.01Å; L39-L143 HydrophobicContact CD1-CD2 4.44Å; L39-L143 HydrophobicContact CD1-CG 4.16Å; L39-L143 HydrophobicContact CD2-CD2 3.66Å; L39-L143 HydrophobicContact CD2-CG 3.97Å; L39-L143 HydrophobicContact CG-CD2 3.73Å; L39-L143 HydrophobicContact CG-CG 3.98Å; A139-L143 WeakPolarHBondContact O-CB 3.49Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.44Å; A139-L143 PolarHBondContact O-N 2.83Å; D140-L143 PolarHBondContact O-N 2.98Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-T146 WeakPolarHBondContact CA-OG1 3.49Å |
| 144 | S | 81.9 | Confident | 68 | Low | 75 Ų | 75 | 84.5 Ų | 84.5 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 177.8 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | D140 E141 A142 | D140-S144 PolarHBondContact O-N 2.81Å; E141-S144 PolarHBondContact O-OG 2.88Å; A142-S144 VanDerWaalsContact C-N 3.33Å; A142-S144 PolarHBondContact O-N 2.9Å |
| 145 | R | 76.6 | Confident | 65.8 | Low | 125 Ų | 125 | 89.5 Ų | 89.5 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -90.7 | -37.1 | -177.7 | -67.4 | 175.3 | -176.7 | -113.7 | -8.6 | 113.4 | C84 E141 A142 L143 Q147 | C84-R145 WeakPolarHBondContact O-CD 3.41Å; C84-R145 PolarHBondContact O-NE 3.46Å; C84-R145 PolarHBondContact O-NH1 3.26Å; E141-R145 WeakPolarHBondContact O-CG 3.37Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE1-CZ 3.88Å; E141-R145 VanDerWaalsContact OE1-CZ 3.32Å; E141-R145 IonicContact OE1-NE 3.32Å; E141-R145 PolarHBondContact OE1-NE 2.94Å; E141-R145 IonicContact OE1-NH2 2.87Å; E141-R145 PolarHBondContact OE1-NH2 2.85Å; A142-R145 PolarHBondContact O-N 3.07Å; A142-R145 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 2.88Å; R145-Q147 PolarHBondContact O-N 2.93Å |
| 146 | T | 71 | Confident | 63.4 | Low | 46 Ų | 46 | 97.8 Ų | 97.8 | 28% | 0.282 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.4 | 92.6 | 166.6 | 42 | 0 | 0 | 0 | 0 | 107.9 | L39 A142 L143 F148 | L39-T146 HydrophobicContact CD2-CG2 4.34Å; L39-T146 WeakPolarHBondContact CD2-OG1 3.32Å; A142-T146 PolarHBondContact O-N 2.93Å; A142-T146 PolarHBondContact O-OG1 3.21Å; L143-T146 WeakPolarHBondContact CA-OG1 3.49Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 3.33Å |
| 147 | Q | 56.6 | Low | 61.3 | Low | 189 Ų | 189 | 104.3 Ų | 104.3 | 88% | 0.883 | 50% | 0.504 | S | S | * | . | trans | -52.6 | 90.4 | 174.7 | -71.6 | -169.1 | -23.8 | 0 | 0 | 110.5 | R145 K149 | R145-Q147 PolarHBondContact O-N 2.93Å; Q147-K149 PolarHBondContact O-N 2.67Å; Q147-K149 VanDerWaalsContact O-N 3.07Å | ||
| 148 | F | 54.1 | Low | 59.3 | Low | 102 Ų | 102 | 109.1 Ų | 109.1 | 45% | 0.447 | 53% | 0.527 | S | S | . | . | trans | -78.5 | 103.4 | -172.4 | -161.1 | -95.7 | 0 | 0 | 0 | 108 | L38 T146 F150 | L38-F148 HydrophobicContact CB-CE2 4.25Å; L38-F148 HydrophobicContact CB-CZ 4.31Å; L38-F148 HydrophobicContact CD2-CE1 3.83Å; L38-F148 HydrophobicContact CD2-CE2 4.45Å; L38-F148 HydrophobicContact CD2-CZ 3.69Å; L38-F148 WeakPolarHBondContact O-CE2 3.38Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 3.33Å; F148-F150 PolarHBondContact O-N 2.8Å | ||
| 149 | K | 43.8 | Very low | 57.2 | Low | 181 Ų | 181 | 114.3 Ų | 114.3 | 79% | 0.787 | 55% | 0.554 | S | S | * | * | trans | -79.1 | 113.7 | 171.2 | -150.2 | 177.5 | -173.9 | -176.4 | 0 | 106.4 | Q147 E151 | Q147-K149 PolarHBondContact O-N 2.67Å; Q147-K149 VanDerWaalsContact O-N 3.07Å; K149-E151 PolarHBondContact O-N 3.19Å | ||
| 150 | F | 45.6 | Very low | 55 | Low | 178 Ų | 178 | 117.9 Ų | 117.9 | 78% | 0.781 | 58% | 0.578 | S | S | * | * | trans | -64.4 | 88.2 | 175.3 | -149.8 | -86.8 | 0 | 0 | 0 | 108.1 | F148 R152 | F148-F150 PolarHBondContact O-N 2.8Å; F150-R152 VanDerWaalsContact C-N 3.29Å; F150-R152 PolarHBondContact O-N 3.47Å | ||
| 151 | E | 42 | Very low | 53.1 | Low | 166 Ų | 166 | 121.5 Ų | 121.5 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | trans | -67.5 | 97.1 | 170.7 | -164.6 | 102.9 | -146.1 | 0 | 0 | 105.3 | K149 Q153 | K149-E151 PolarHBondContact O-N 3.19Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 3.25Å | ||
| 152 | R | 34.8 | Very low | 51.2 | Low | 213 Ų | 213 | 124.6 Ų | 124.6 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | trans | -58.2 | 99.9 | 174.8 | -166.2 | 179.1 | -163.9 | 175.8 | 4.2 | 105.9 | F150 V154 | F150-R152 VanDerWaalsContact C-N 3.29Å; F150-R152 PolarHBondContact O-N 3.47Å; R152-V154 PolarHBondContact O-N 2.95Å | ||
| 153 | Q | 38.6 | Very low | 49.5 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 83% | 0.827 | 64% | 0.643 | S | S | * | * | trans | -61.8 | 94.6 | 171.6 | -74.9 | -173.7 | -7 | 0 | 0 | 106.5 | E151 C155 | E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 3.25Å; Q153-C155 PolarHBondContact O-N 2.98Å; Q153-C155 VanDerWaalsContact O-N 3.11Å | ||
| 154 | V | 34.7 | Very low | 47.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | -60.8 | 111.7 | 156.8 | -173.7 | 0 | 0 | 0 | 0 | 103.3 | R152 K156 | R152-V154 PolarHBondContact O-N 2.95Å; V154-K156 PolarHBondContact O-N 2.89Å | ||
| 155 | C | 39.3 | Very low | 45.8 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | trans | -52.1 | 89.5 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | Q153 L157 | Q153-C155 PolarHBondContact O-N 2.98Å; Q153-C155 VanDerWaalsContact O-N 3.11Å; C155-L157 PolarHBondContact O-N 3.45Å | ||
| 156 | K | 36.8 | Very low | 44.2 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 76% | 0.757 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 6.9 | 171.5 | -87.7 | -176.3 | 174.7 | 178.6 | 0 | 111.9 | V154 L158 | V154-K156 PolarHBondContact O-N 2.89Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.23Å |
| 157 | L | 42.6 | Very low | 42.8 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 4.4 | -177.3 | -88.5 | 166.8 | 0 | 0 | 0 | 114.7 | C155 | C155-L157 PolarHBondContact O-N 3.45Š|
| 158 | L | 42.6 | Very low | 42.4 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 1.3 | -179.8 | -135.4 | 83.7 | 0 | 0 | 0 | 116.3 | K156 L162 | K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.23Å; L158-L162 WeakPolarHBondContact O-CD1 3.5Å |
| 159 | I | 41.9 | Very low | 42 | Very low | 109 Ų | 109 | 148 Ų | 148 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -34.4 | -176.9 | -59.2 | 175.7 | 0 | 0 | 0 | 111.7 | H161 L162 | I159-H161 VanDerWaalsContact C-N 3.32Å; I159-H161 PolarHBondContact O-N 3.39Å; I159-L162 PolarHBondContact O-N 2.9Å |
| 160 | S | 39.4 | Very low | 41.9 | Very low | 75 Ų | 75 | 145 Ų | 145 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -19.7 | -178.7 | 37.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 161 | H | 45 | Very low | 41.5 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.676 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -6.2 | 174.9 | -88.9 | 65.2 | 0 | 0 | 0 | 114.1 | I159 N165 | I159-H161 VanDerWaalsContact C-N 3.32Å; I159-H161 PolarHBondContact O-N 3.39Å; H161-N165 PolarHBondContact O-ND2 3.28Å |
| 162 | L | 43 | Very low | 41.5 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 59% | 0.586 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -24.4 | 176.8 | -80.8 | 168 | 0 | 0 | 0 | 112.7 | L158 I159 | L158-L162 WeakPolarHBondContact O-CD1 3.5Å; I159-L162 PolarHBondContact O-N 2.9Å |
| 163 | E | 46.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -74.9 | -25.1 | 178.3 | -74.7 | -179.9 | 164.3 | 0 | 0 | 113.2 | ||
| 164 | E | 44.6 | Very low | 41.9 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9.1 | 179.1 | -79.3 | -176.4 | 163.9 | 0 | 0 | 114.6 | ||
| 165 | N | 43.7 | Very low | 42.4 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 14.5 | -178.2 | -75.9 | -53.5 | 0 | 0 | 0 | 114 | H161 D167 | H161-N165 PolarHBondContact O-ND2 3.28Å; N165-D167 VanDerWaalsContact C-N 3.31Å; N165-D167 PolarHBondContact O-N 3.38Å |
| 166 | Q | 41.6 | Very low | 42.6 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -1.4 | -171.7 | -139.8 | 171.5 | 21.8 | 0 | 0 | 115 | ||
| 167 | D | 42.7 | Very low | 43.1 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 12.1 | -174.1 | -71.4 | -23.5 | 0 | 0 | 0 | 115.3 | N165 | N165-D167 VanDerWaalsContact C-N 3.31Å; N165-D167 PolarHBondContact O-N 3.38Å |
| 168 | A | 48.1 | Very low | 43 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -112.2 | 0.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 169 | Y | 45.1 | Very low | 43.3 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 91% | 0.914 | 74% | 0.743 | S | S | * | * | trans | -135.3 | 72.5 | 179 | -65.1 | -78.4 | 0 | 0 | 0 | 112.1 | ||||
| 170 | S | 41.4 | Very low | 43.6 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -105.7 | 133.7 | 157.8 | -177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 171 | D | 37.4 | Very low | 43.9 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 90.2 | 67 | 169.1 | -137.2 | 28.4 | 0 | 0 | 0 | 117 | ||||
| 172 | G | 42.8 | Very low | 43.7 | Very low | 57 Ų | 57 | 146.3 Ų | 146.3 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | -120.3 | 97.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | F174 | G172-F174 PolarHBondContact O-N 3.16Š| ||
| 173 | E | 39.8 | Very low | 43.8 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -56.4 | 98.1 | 168 | -162.2 | 175.3 | -149.6 | 0 | 0 | 108.3 | ||||
| 174 | F | 41.5 | Very low | 43.7 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -124.7 | 131.7 | 176.2 | -90.9 | -84.8 | 0 | 0 | 0 | 111.4 | G172 Q176 | G172-F174 PolarHBondContact O-N 3.16Å; F174-Q176 PolarHBondContact O-N 2.93Å | ||
| 175 | D | 44.8 | Very low | 43.4 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -52.9 | 130.4 | -169.9 | -78.9 | -45.8 | 0 | 0 | 0 | 113.1 | E177 | D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 3.33Å | ||
| 176 | Q | 43.9 | Very low | 43.3 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -59.2 | 88.9 | 169.7 | 177.6 | 101.1 | 59.3 | 0 | 0 | 109.8 | F174 M178 | F174-Q176 PolarHBondContact O-N 2.93Å; Q176-M178 PolarHBondContact O-N 3.41Å; Q176-M178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | E | 46.4 | Very low | 43.2 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -65.4 | 113.1 | 168.1 | -83.4 | -168.7 | 165.2 | 0 | 0 | 109.9 | D175 L179 | D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 3.33Å; E177-L179 PolarHBondContact O-N 3.44Å | ||
| 178 | M | 41.8 | Very low | 43.1 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 111.4 | 172.4 | -178.5 | 172.1 | 68 | 0 | 0 | 108.6 | Q176 D180 | Q176-M178 PolarHBondContact O-N 3.41Å; Q176-M178 VanDerWaalsContact O-N 3.14Å; M178-D180 PolarHBondContact O-N 3.05Å | ||
| 179 | L | 48.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -64 | 101 | 173 | -157.5 | 87 | 0 | 0 | 0 | 109.4 | E177 L181 I220 | E177-L179 PolarHBondContact O-N 3.44Å; L179-L181 PolarHBondContact O-N 3.2Å; L179-I220 HydrophobicContact CD2-CD1 4.38Å | ||
| 180 | D | 47.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 107.3 | 174.4 | -171.4 | 28.3 | 0 | 0 | 0 | 109.7 | M178 S182 | M178-D180 PolarHBondContact O-N 3.05Å; D180-S182 PolarHBondContact O-N 3.33Å; D180-S182 PolarHBondContact OD1-OG 2.73Å; D180-S182 WeakPolarHBondContact OD2-CB 3.32Å; D180-S182 PolarHBondContact OD2-OG 2.95Å | ||
| 181 | L | 46.1 | Very low | 42.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 43.9 | 175.9 | -88.2 | 154.8 | 0 | 0 | 0 | 111.6 | L179 A183 | L179-L181 PolarHBondContact O-N 3.2Å; L181-A183 VanDerWaalsContact C-N 3.28Å; L181-A183 PolarHBondContact O-N 3.42Å | ||
| 182 | S | 41.6 | Very low | 42.5 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | trans | -72.3 | 85.4 | 168.4 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | D180 | D180-S182 PolarHBondContact O-N 3.33Å; D180-S182 PolarHBondContact OD1-OG 2.73Å; D180-S182 WeakPolarHBondContact OD2-CB 3.32Å; D180-S182 PolarHBondContact OD2-OG 2.95Å | ||
| 183 | A | 45.3 | Very low | 42.6 | Very low | 76 Ų | 76 | 148.3 Ų | 148.3 | 63% | 0.628 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 136.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L181 T185 | L181-A183 VanDerWaalsContact C-N 3.28Å; L181-A183 PolarHBondContact O-N 3.42Å; A183-T185 PolarHBondContact O-N 3.49Å | ||
| 184 | P | 43.7 | Very low | 42.8 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 104.5 | 173.2 | 11.2 | -1.8 | 0 | 0 | 0 | 108.7 | N186 | P184-N186 PolarHBondContact O-N 3.42Š| ||
| 185 | T | 39.1 | Very low | 43.2 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -71.6 | 73.7 | 172.6 | -37.3 | 0 | 0 | 0 | 0 | 109.9 | A183 | A183-T185 PolarHBondContact O-N 3.49Š| ||
| 186 | N | 39.7 | Very low | 43.3 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -104.4 | 112.7 | 164.1 | -89.1 | -14.1 | 0 | 0 | 0 | 108.6 | P184 | P184-N186 PolarHBondContact O-N 3.42Š| ||
| 187 | N | 40.7 | Very low | 43.2 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 67.1 | 67.3 | 157.7 | -63.3 | -28.3 | 0 | 0 | 0 | 119 | ||||
| 188 | L | 40.4 | Very low | 43.1 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -120.2 | 70.4 | 144.8 | -94.5 | 92.3 | 0 | 0 | 0 | 110.3 | ||||
| 189 | Q | 40.8 | Very low | 43.5 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -84.6 | 137.9 | 145.9 | -74.2 | -177.8 | -12.9 | 0 | 0 | 106.8 | ||||
| 190 | N | 39.3 | Very low | 43.9 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 94.3 | 79 | 174.1 | -50.1 | -27.7 | 0 | 0 | 0 | 116.3 | ||
| 191 | S | 40.2 | Very low | 44.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | 163.8 | 72.7 | 124.3 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | D193 | S191-D193 PolarHBondContact O-N 3.13Š| |||
| 192 | H | 40.1 | Very low | 46.1 | Very low | 177 Ų | 177 | 133 Ų | 133 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | trans | -83.2 | 97.2 | 168 | -133 | -63.5 | 0 | 0 | 0 | 107.5 | K194 | H192-K194 PolarHBondContact O-N 3.37Š| ||
| 193 | D | 43.9 | Very low | 47.8 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -58.4 | 133.6 | 158.4 | -95.8 | -34.8 | 0 | 0 | 0 | 108.2 | S191 I195 | S191-D193 PolarHBondContact O-N 3.13Å; D193-I195 VanDerWaalsContact C-N 3.32Å; D193-I195 PolarHBondContact O-N 3.15Å | ||
| 194 | K | 43.2 | Very low | 49.3 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -64.9 | 87.1 | -178.6 | -74.4 | 170.7 | 174.2 | 174.9 | 0 | 110 | H192 | H192-K194 PolarHBondContact O-N 3.37Š| ||
| 195 | I | 51.7 | Low | 50.8 | Low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -70.6 | 124.9 | 157.1 | -57.6 | 171.1 | 0 | 0 | 0 | 105.9 | D193 S197 | D193-I195 VanDerWaalsContact C-N 3.32Å; D193-I195 PolarHBondContact O-N 3.15Å; I195-S197 PolarHBondContact O-N 2.69Å | ||
| 196 | P | 45.3 | Very low | 52.8 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 108.3 | -176.3 | 27.6 | -32.5 | 0 | 0 | 0 | 109.3 | S198 | P196-S198 PolarHBondContact O-N 3.04Š| ||
| 197 | S | 41.9 | Very low | 54.8 | Low | 130 Ų | 130 | 130.6 Ų | 130.6 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -77.4 | 36.8 | 178.8 | 47.8 | 0 | 0 | 0 | 0 | 113.3 | I195 | I195-S197 PolarHBondContact O-N 2.69Š| ||
| 198 | S | 44.1 | Very low | 56.6 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -123.1 | 117.9 | 179 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | P196 | P196-S198 PolarHBondContact O-N 3.04Š|
| 199 | A | 50.5 | Low | 58.6 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 89.9 | 27 | -179 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 200 | V | 57.8 | Low | 60.6 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | trans | -117.3 | 110.3 | 159.7 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | Q202 L205 | V200-Q202 PolarHBondContact O-N 3.07Å; V200-L205 HydrophobicContact CB-CD1 4.41Å; V200-L205 HydrophobicContact CG1-CD1 3.45Å; V200-L205 VanDerWaalsContact CG1-CD1 3.45Å; V200-L205 HydrophobicContact CG1-CD2 4.01Å; V200-L205 HydrophobicContact CG1-CG 3.47Å; V200-L205 VanDerWaalsContact CG1-CG 3.47Å | ||
| 201 | D | 68.3 | Low | 62.8 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | trans | -64.6 | 117.2 | 179.8 | -160.2 | -7.2 | 0 | 0 | 0 | 109.2 | Y203 A204 L205 | D201-Y203 PolarHBondContact O-N 3.2Å; D201-Y203 VanDerWaalsContact O-N 3.15Å; D201-A204 HydrophobicContact CB-CB 3.97Å; D201-A204 WeakPolarHBondContact O-CB 3.37Å; D201-A204 PolarHBondContact O-N 3.37Å; D201-L205 PolarHBondContact O-N 2.86Å; D201-L205 VanDerWaalsContact O-N 3.12Å | ||
| 202 | Q | 70.8 | Confident | 64.8 | Low | 158 Ų | 158 | 119.4 Ų | 119.4 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.1 | -30.7 | -174.1 | -170.8 | 172.6 | -10 | 0 | 0 | 111.3 | V200 Q206 | V200-Q202 PolarHBondContact O-N 3.07Å; Q202-Q206 PolarHBondContact O-N 3.42Å; Q202-Q206 VanDerWaalsContact O-N 3.11Å |
| 203 | Y | 78 | Confident | 66.6 | Low | 149 Ų | 149 | 114.8 Ų | 114.8 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.1 | -37.8 | 175 | -169 | -109 | 0 | 0 | 0 | 112.6 | D201 Q206 Q207 | D201-Y203 PolarHBondContact O-N 3.2Å; D201-Y203 VanDerWaalsContact O-N 3.15Å; Y203-Q206 PolarHBondContact O-N 3.24Å; Y203-Q207 HydrophobicContact CD1-CG 4.48Å; Y203-Q207 HydrophobicContact CE1-CG 4.23Å; Y203-Q207 WeakPolarHBondContact O-CG 3.4Å; Y203-Q207 PolarHBondContact O-N 3.01Å |
| 204 | A | 76.2 | Confident | 68.1 | Low | 48 Ų | 48 | 112 Ų | 112 | 40% | 0.397 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.7 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D201 E208 | D201-A204 HydrophobicContact CB-CB 3.97Å; D201-A204 WeakPolarHBondContact O-CB 3.37Å; D201-A204 PolarHBondContact O-N 3.37Å; A204-E208 WeakPolarHBondContact O-CB 3.23Å; A204-E208 PolarHBondContact O-N 2.73Å |
| 205 | L | 74.8 | Confident | 69.4 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 171.1 | -79.4 | 174 | 0 | 0 | 0 | 112.2 | V200 D201 E208 L209 | V200-L205 HydrophobicContact CB-CD1 4.41Å; V200-L205 HydrophobicContact CG1-CD1 3.45Å; V200-L205 VanDerWaalsContact CG1-CD1 3.45Å; V200-L205 HydrophobicContact CG1-CD2 4.01Å; V200-L205 HydrophobicContact CG1-CG 3.47Å; V200-L205 VanDerWaalsContact CG1-CG 3.47Å; D201-L205 PolarHBondContact O-N 2.86Å; D201-L205 VanDerWaalsContact O-N 3.12Å; L205-E208 PolarHBondContact O-N 3.35Å; L205-L209 VanDerWaalsContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CB 3.41Å; L205-L209 PolarHBondContact O-N 2.97Å |
| 206 | Q | 82.1 | Confident | 70.2 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.3 | -41.4 | 177.8 | -126 | 171.2 | -14.9 | 0 | 0 | 111.6 | Q202 Y203 E208 L209 E210 | Q202-Q206 PolarHBondContact O-N 3.42Å; Q202-Q206 VanDerWaalsContact O-N 3.11Å; Y203-Q206 PolarHBondContact O-N 3.24Å; Q206-E208 VanDerWaalsContact C-N 3.32Å; Q206-E208 PolarHBondContact O-N 2.92Å; Q206-L209 PolarHBondContact O-N 3.48Å; Q206-E210 WeakPolarHBondContact O-CB 3.33Å; Q206-E210 WeakPolarHBondContact O-CG 3.28Å; Q206-E210 PolarHBondContact O-N 3.11Å |
| 207 | Q | 81.6 | Confident | 71.2 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -40 | 172.6 | -74.7 | -173.6 | -12.6 | 0 | 0 | 112 | Y203 E210 R211 | Y203-Q207 HydrophobicContact CD1-CG 4.48Å; Y203-Q207 HydrophobicContact CE1-CG 4.23Å; Y203-Q207 WeakPolarHBondContact O-CG 3.4Å; Y203-Q207 PolarHBondContact O-N 3.01Å; Q207-E210 PolarHBondContact O-N 3.46Å; Q207-R211 VanDerWaalsContact O-CB 3.3Å; Q207-R211 WeakPolarHBondContact O-CB 3.44Å; Q207-R211 PolarHBondContact O-N 3.25Å |
| 208 | E | 76.8 | Confident | 72.3 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 42% | 0.416 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.2 | -32.7 | 178.9 | -160.8 | 61.8 | -177.4 | 0 | 0 | 112.2 | A204 L205 Q206 R211 V212 | A204-E208 WeakPolarHBondContact O-CB 3.23Å; A204-E208 PolarHBondContact O-N 2.73Å; L205-E208 PolarHBondContact O-N 3.35Å; Q206-E208 VanDerWaalsContact C-N 3.32Å; Q206-E208 PolarHBondContact O-N 2.92Å; E208-R211 PolarHBondContact O-N 3.33Å; E208-R211 IonicContact OE1-CZ 2.66Å; E208-R211 IonicContact OE1-NE 3.9Å; E208-R211 PolarHBondContact OE1-NE 2.95Å; E208-R211 IonicContact OE1-NH2 2.8Å; E208-R211 PolarHBondContact OE1-NH2 2.85Å; E208-R211 WeakPolarHBondContact OE2-CD 3.44Å; E208-R211 IonicContact OE2-CZ 2.94Å; E208-R211 IonicContact OE2-NE 3.19Å; E208-R211 PolarHBondContact OE2-NE 2.89Å; E208-V212 HydrophobicContact CG-CG2 4.5Å; E208-V212 VanDerWaalsContact O-CB 3.32Å; E208-V212 WeakPolarHBondContact O-CB 3.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.4Å; E208-V212 PolarHBondContact O-N 2.77Å |
| 209 | L | 83 | Confident | 73.2 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.9 | -48.7 | 169.3 | -163.3 | 97.1 | 0 | 0 | 0 | 110.2 | L205 Q206 R211 V212 T213 | L205-L209 VanDerWaalsContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CB 3.41Å; L205-L209 PolarHBondContact O-N 2.97Å; Q206-L209 PolarHBondContact O-N 3.48Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 3.34Å; L209-V212 PolarHBondContact O-N 2.84Å; L209-T213 VanDerWaalsContact O-CB 3.24Å; L209-T213 WeakPolarHBondContact O-CB 3.33Å; L209-T213 PolarHBondContact O-N 3.08Å; L209-T213 PolarHBondContact O-OG1 2.86Å |
| 210 | E | 83.5 | Confident | 73.7 | Confident | 140 Ų | 140 | 111.6 Ų | 111.6 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.2 | -35.9 | 176.8 | -78 | -178.1 | 174.8 | 0 | 0 | 112.1 | Q206 Q207 P214 | Q206-E210 WeakPolarHBondContact O-CB 3.33Å; Q206-E210 WeakPolarHBondContact O-CG 3.28Å; Q206-E210 PolarHBondContact O-N 3.11Å; Q207-E210 PolarHBondContact O-N 3.46Å; E210-P214 WeakPolarHBondContact O-CD 3.37Å |
| 211 | R | 85.2 | Confident | 73.7 | Confident | 135 Ų | 135 | 117.3 Ų | 117.3 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -39.4 | 175.4 | -167 | -170.4 | 73.6 | 77.6 | 1 | 112.8 | Q207 E208 L209 P214 | Q207-R211 VanDerWaalsContact O-CB 3.3Å; Q207-R211 WeakPolarHBondContact O-CB 3.44Å; Q207-R211 PolarHBondContact O-N 3.25Å; E208-R211 PolarHBondContact O-N 3.33Å; E208-R211 IonicContact OE1-CZ 2.66Å; E208-R211 IonicContact OE1-NE 3.9Å; E208-R211 PolarHBondContact OE1-NE 2.95Å; E208-R211 IonicContact OE1-NH2 2.8Å; E208-R211 PolarHBondContact OE1-NH2 2.85Å; E208-R211 WeakPolarHBondContact OE2-CD 3.44Å; E208-R211 IonicContact OE2-CZ 2.94Å; E208-R211 IonicContact OE2-NE 3.19Å; E208-R211 PolarHBondContact OE2-NE 2.89Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 3.34Å; R211-P214 WeakPolarHBondContact O-CD 3.33Å; R211-P214 WeakPolarHBondContact O-CG 3.22Å |
| 212 | V | 81.1 | Confident | 73.3 | Confident | 44 Ų | 44 | 119.9 Ų | 119.9 | 27% | 0.267 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -91 | -22.8 | -174.7 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | E208 L209 L215 L216 | E208-V212 HydrophobicContact CG-CG2 4.5Å; E208-V212 VanDerWaalsContact O-CB 3.32Å; E208-V212 WeakPolarHBondContact O-CB 3.42Å; E208-V212 WeakPolarHBondContact O-CG2 3.4Å; E208-V212 PolarHBondContact O-N 2.77Å; L209-V212 PolarHBondContact O-N 2.84Å; V212-L215 CarbonylContact O-C 3.56Å; V212-L215 WeakPolarHBondContact O-CA 3.25Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 3.24Å; V212-L216 HydrophobicContact CG1-CD1 3.73Å; V212-L216 HydrophobicContact CG1-CG 3.97Å; V212-L216 PolarHBondContact O-N 3.33Å |
| 213 | T | 78.9 | Confident | 72.7 | Confident | 79 Ų | 79 | 116.3 Ų | 116.3 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.4 | -47.8 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | L209 L215 L216 K217 | L209-T213 VanDerWaalsContact O-CB 3.24Å; L209-T213 WeakPolarHBondContact O-CB 3.33Å; L209-T213 PolarHBondContact O-N 3.08Å; L209-T213 PolarHBondContact O-OG1 2.86Å; T213-L215 VanDerWaalsContact C-N 3.29Å; T213-L215 PolarHBondContact O-N 3.23Å; T213-L216 PolarHBondContact O-N 3.2Å; T213-K217 PolarHBondContact O-N 3.3Å |
| 214 | P | 76.2 | Confident | 71.9 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -25 | 176.8 | 27.1 | -35.3 | 0 | 0 | 0 | 113.3 | E210 R211 K217 | E210-P214 WeakPolarHBondContact O-CD 3.37Å; R211-P214 WeakPolarHBondContact O-CD 3.33Å; R211-P214 WeakPolarHBondContact O-CG 3.22Å; P214-K217 WeakPolarHBondContact O-CB 3.21Å; P214-K217 PolarHBondContact O-N 3.31Å |
| 215 | L | 69.9 | Low | 71.5 | Confident | 124 Ų | 124 | 121.1 Ų | 121.1 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -27.7 | 177.2 | -64.5 | 170 | 0 | 0 | 0 | 112.3 | V212 T213 K217 | V212-L215 CarbonylContact O-C 3.56Å; V212-L215 WeakPolarHBondContact O-CA 3.25Å; V212-L215 WeakPolarHBondContact O-CB 3.46Å; V212-L215 PolarHBondContact O-N 3.24Å; T213-L215 VanDerWaalsContact C-N 3.29Å; T213-L215 PolarHBondContact O-N 3.23Å; L215-K217 VanDerWaalsContact C-N 3.29Å |
| 216 | L | 68.4 | Low | 71.5 | Confident | 121 Ų | 121 | 118 Ų | 118 | 63% | 0.634 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -82.3 | -5.4 | 173.7 | -75.8 | 165.2 | 0 | 0 | 0 | 113.2 | V212 T213 I218 | V212-L216 HydrophobicContact CG1-CD1 3.73Å; V212-L216 HydrophobicContact CG1-CG 3.97Å; V212-L216 PolarHBondContact O-N 3.33Å; T213-L216 PolarHBondContact O-N 3.2Å; L216-I218 PolarHBondContact O-N 3.2Å |
| 217 | K | 66.5 | Low | 71.4 | Confident | 146 Ų | 146 | 120.2 Ų | 120.2 | 64% | 0.635 | 57% | 0.574 | S | S | * | * | trans | -73.7 | 78.1 | 175 | -161.2 | 166.8 | -172.6 | 169.6 | 0 | 109.4 | T213 P214 L215 K219 | T213-K217 PolarHBondContact O-N 3.3Å; P214-K217 WeakPolarHBondContact O-CB 3.21Å; P214-K217 PolarHBondContact O-N 3.31Å; L215-K217 VanDerWaalsContact C-N 3.29Å; K217-K219 PolarHBondContact O-N 3.15Å | ||
| 218 | I | 65.6 | Low | 71.4 | Confident | 139 Ų | 139 | 122.3 Ų | 122.3 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | trans | -66.8 | 99.8 | 175.2 | -59.6 | 168.3 | 0 | 0 | 0 | 107.2 | L216 I220 | L216-I218 PolarHBondContact O-N 3.2Å; I218-I220 HydrophobicContact CG2-CG1 4.11Å; I218-I220 PolarHBondContact O-N 3.41Å; I218-I220 VanDerWaalsContact O-N 3.08Å | ||
| 219 | K | 61.6 | Low | 71.6 | Confident | 162 Ų | 162 | 122 Ų | 122 | 70% | 0.704 | 58% | 0.577 | S | S | * | * | trans | -73.3 | 95.6 | 165 | -68 | -171 | 179.7 | -171.9 | 0 | 107.3 | K217 R221 | K217-K219 PolarHBondContact O-N 3.15Å; K219-R221 PolarHBondContact O-N 3.11Å | ||
| 220 | I | 62.1 | Low | 71.5 | Confident | 86 Ų | 86 | 119.6 Ų | 119.6 | 44% | 0.441 | 57% | 0.569 | S | S | . | * | trans | -62.9 | 104.3 | 166.4 | -55.4 | 172.3 | 0 | 0 | 0 | 105.4 | L179 I218 H222 | L179-I220 HydrophobicContact CD2-CD1 4.38Å; I218-I220 HydrophobicContact CG2-CG1 4.11Å; I218-I220 PolarHBondContact O-N 3.41Å; I218-I220 VanDerWaalsContact O-N 3.08Å; I220-H222 PolarHBondContact O-N 2.96Å | ||
| 221 | R | 57.4 | Low | 71.7 | Confident | 217 Ų | 217 | 116.8 Ų | 116.8 | 82% | 0.819 | 56% | 0.558 | S | S | * | * | trans | -75.1 | 122.9 | 170.2 | -71.5 | -173.3 | -179 | -179.7 | -0.2 | 105.9 | K219 D223 | K219-R221 PolarHBondContact O-N 3.11Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.33Å | ||
| 222 | H | 59.5 | Low | 71.8 | Confident | 170 Ų | 170 | 116.4 Ų | 116.4 | 79% | 0.787 | 56% | 0.562 | S | S | * | * | trans | -58.7 | 93.7 | 169.3 | -87 | -69.8 | 0 | 0 | 0 | 109 | I220 | I220-H222 PolarHBondContact O-N 2.96Š| ||
| 223 | D | 59.2 | Low | 72.2 | Confident | 82 Ų | 82 | 120.2 Ų | 120.2 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | trans | -95.4 | 141.2 | 168.9 | -171.1 | -14.2 | 0 | 0 | 0 | 107.1 | R221 K225 D226 | R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.33Å; D223-K225 PolarHBondContact O-N 3.02Å; D223-K225 PolarHBondContact OD1-N 3.49Å; D223-K225 VanDerWaalsContact OD1-N 3.09Å; D223-D226 VanDerWaalsContact O-CB 3.32Å; D223-D226 WeakPolarHBondContact O-CB 3.16Å; D223-D226 PolarHBondContact O-N 3.36Å | ||
| 224 | V | 61.5 | Low | 72.7 | Confident | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.715 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | 172.7 | -158.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 225 | K | 66.9 | Low | 73.5 | Confident | 181 Ų | 181 | 122 Ų | 122 | 79% | 0.787 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -5.3 | 171.6 | -60.3 | -178.1 | -176.7 | -179.6 | 0 | 114.6 | D223 W227 | D223-K225 PolarHBondContact O-N 3.02Å; D223-K225 PolarHBondContact OD1-N 3.49Å; D223-K225 VanDerWaalsContact OD1-N 3.09Å; K225-W227 PolarHBondContact O-N 2.8Å |
| 226 | D | 73.7 | Confident | 74.6 | Confident | 38 Ų | 38 | 119.6 Ų | 119.6 | 20% | 0.203 | 57% | 0.569 | C | S | . | * | trans | -68.8 | 120.1 | 172.2 | -93.3 | -36.2 | 0 | 0 | 0 | 109.5 | D223 R228 H229 C230 | D223-D226 VanDerWaalsContact O-CB 3.32Å; D223-D226 WeakPolarHBondContact O-CB 3.16Å; D223-D226 PolarHBondContact O-N 3.36Å; D226-R228 PolarHBondContact O-N 3.43Å; D226-H229 PolarHBondContact O-N 3.3Å; D226-C230 PolarHBondContact O-N 3.07Å | ||
| 227 | W | 80.6 | Confident | 75.6 | Confident | 153 Ų | 153 | 117 Ų | 117 | 58% | 0.58 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -53.8 | -22.3 | 174.7 | 62.3 | -90.1 | 0 | 0 | 0 | 112.7 | K225 L231 | K225-W227 PolarHBondContact O-N 2.8Å; W227-L231 HydrophobicContact CZ3-CD2 4.29Å; W227-L231 VanDerWaalsContact O-CB 3.26Å; W227-L231 WeakPolarHBondContact O-CB 3.45Å; W227-L231 PolarHBondContact O-N 3.44Å |
| 228 | R | 81.9 | Confident | 76.9 | Confident | 141 Ų | 141 | 115.9 Ų | 115.9 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -44.6 | 173.4 | -72.8 | -173.9 | 158.5 | 92.8 | -0.2 | 112.7 | D226 C230 L231 E232 | D226-R228 PolarHBondContact O-N 3.43Å; R228-C230 VanDerWaalsContact C-N 3.35Å; R228-L231 PolarHBondContact O-N 3.13Å; R228-E232 WeakPolarHBondContact O-CB 3.32Å; R228-E232 PolarHBondContact O-N 2.85Å |
| 229 | H | 81.8 | Confident | 78.3 | Confident | 82 Ų | 82 | 114.3 Ų | 114.3 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.9 | -167.7 | 70.5 | 0 | 0 | 0 | 110.7 | D226 L231 E232 Q233 | D226-H229 PolarHBondContact O-N 3.3Å; H229-L231 PolarHBondContact O-N 3.05Å; H229-E232 PolarHBondContact O-N 2.87Å; H229-Q233 VanDerWaalsContact O-CB 3.32Å; H229-Q233 WeakPolarHBondContact O-CB 3.2Å; H229-Q233 PolarHBondContact O-N 3.44Å |
| 230 | C | 79.8 | Confident | 79.9 | Confident | 68 Ų | 68 | 110.8 Ų | 110.8 | 46% | 0.459 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | D226 R228 Q233 V234 | D226-C230 PolarHBondContact O-N 3.07Å; R228-C230 VanDerWaalsContact C-N 3.35Å; C230-Q233 PolarHBondContact O-N 3.03Å; C230-V234 WeakPolarHBondContact O-CB 3.37Å; C230-V234 VanDerWaalsContact O-CG2 3.26Å; C230-V234 WeakPolarHBondContact O-CG2 3.17Å; C230-V234 PolarHBondContact O-N 3.06Å |
| 231 | L | 87.9 | Confident | 81.3 | Confident | 81 Ų | 81 | 109.5 Ų | 109.5 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.6 | -179.5 | 65.6 | 0 | 0 | 0 | 112.2 | W227 R228 H229 V234 K235 | W227-L231 HydrophobicContact CZ3-CD2 4.29Å; W227-L231 VanDerWaalsContact O-CB 3.26Å; W227-L231 WeakPolarHBondContact O-CB 3.45Å; W227-L231 PolarHBondContact O-N 3.44Å; R228-L231 PolarHBondContact O-N 3.13Å; H229-L231 PolarHBondContact O-N 3.05Å; L231-V234 PolarHBondContact O-N 3.41Å; L231-K235 WeakPolarHBondContact O-CG 3.31Å; L231-K235 PolarHBondContact O-N 3.16Å |
| 232 | E | 88 | Confident | 83 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 176.7 | -168.6 | 167.2 | -152.6 | 0 | 0 | 111.4 | R228 H229 V234 K235 S236 | R228-E232 WeakPolarHBondContact O-CB 3.32Å; R228-E232 PolarHBondContact O-N 2.85Å; H229-E232 PolarHBondContact O-N 2.87Å; E232-V234 PolarHBondContact O-N 3.19Å; E232-K235 PolarHBondContact O-N 3.46Å; E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 2.86Å |
| 233 | Q | 88 | Confident | 84.6 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 172.6 | -171.7 | 176.7 | 25.3 | 0 | 0 | 112 | H229 C230 S236 S237 | H229-Q233 VanDerWaalsContact O-CB 3.32Å; H229-Q233 WeakPolarHBondContact O-CB 3.2Å; H229-Q233 PolarHBondContact O-N 3.44Å; C230-Q233 PolarHBondContact O-N 3.03Å; Q233-S236 PolarHBondContact O-N 3.23Å; Q233-S237 WeakPolarHBondContact O-CB 3.22Å; Q233-S237 PolarHBondContact O-N 3.44Å; Q233-S237 PolarHBondContact O-OG 2.9Å |
| 234 | V | 89.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.8 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | C230 L231 E232 S236 S237 E238 | C230-V234 WeakPolarHBondContact O-CB 3.37Å; C230-V234 VanDerWaalsContact O-CG2 3.26Å; C230-V234 WeakPolarHBondContact O-CG2 3.17Å; C230-V234 PolarHBondContact O-N 3.06Å; L231-V234 PolarHBondContact O-N 3.41Å; E232-V234 PolarHBondContact O-N 3.19Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 2.66Å; V234-S237 WeakPolarHBondContact CA-OG 3.4Å; V234-S237 PolarHBondContact O-N 3.42Å; V234-S237 PolarHBondContact O-OG 2.94Å; V234-E238 WeakPolarHBondContact O-CB 3.41Å; V234-E238 PolarHBondContact O-N 2.75Å |
| 235 | K | 93.4 | Very high | 87.5 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.8 | -41.3 | 176.1 | -75 | 178.9 | 176.9 | -176.7 | 0 | 112.5 | L231 E232 E238 Q239 | L231-K235 WeakPolarHBondContact O-CG 3.31Å; L231-K235 PolarHBondContact O-N 3.16Å; E232-K235 PolarHBondContact O-N 3.46Å; K235-E238 PolarHBondContact O-N 3.33Å; K235-Q239 PolarHBondContact O-N 2.81Å |
| 236 | S | 93.5 | Very high | 88.6 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | E232 Q233 V234 E238 Q239 V240 | E232-S236 WeakPolarHBondContact O-CB 3.36Å; E232-S236 PolarHBondContact O-N 2.86Å; Q233-S236 PolarHBondContact O-N 3.23Å; V234-S236 VanDerWaalsContact C-N 3.33Å; V234-S236 PolarHBondContact O-N 2.66Å; S236-E238 VanDerWaalsContact C-N 3.33Å; S236-E238 PolarHBondContact O-N 3.32Å; S236-Q239 PolarHBondContact O-N 3.23Å; S236-V240 WeakPolarHBondContact O-CG2 3.22Å; S236-V240 PolarHBondContact O-N 3.37Å |
| 237 | S | 90 | Very high | 89.4 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 176.9 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | Q233 V234 V240 A241 | Q233-S237 WeakPolarHBondContact O-CB 3.22Å; Q233-S237 PolarHBondContact O-N 3.44Å; Q233-S237 PolarHBondContact O-OG 2.9Å; V234-S237 WeakPolarHBondContact CA-OG 3.4Å; V234-S237 PolarHBondContact O-N 3.42Å; V234-S237 PolarHBondContact O-OG 2.94Å; S237-V240 PolarHBondContact O-N 3.4Å; S237-A241 WeakPolarHBondContact O-CB 3.36Å; S237-A241 PolarHBondContact O-N 3.16Å |
| 238 | E | 94 | Very high | 90 | Very high | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 174 | -177.7 | 178.7 | -170 | 0 | 0 | 110.3 | V234 K235 S236 A241 V242 | V234-E238 WeakPolarHBondContact O-CB 3.41Å; V234-E238 PolarHBondContact O-N 2.75Å; K235-E238 PolarHBondContact O-N 3.33Å; S236-E238 VanDerWaalsContact C-N 3.33Å; S236-E238 PolarHBondContact O-N 3.32Å; E238-A241 PolarHBondContact O-N 3.21Å; E238-V242 WeakPolarHBondContact O-CG2 3.43Å; E238-V242 PolarHBondContact O-N 3.07Å |
| 239 | Q | 94.1 | Very high | 90.5 | Very high | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176 | -170.5 | 60.3 | 50.9 | 0 | 0 | 111.4 | K235 S236 A241 V242 D243 | K235-Q239 PolarHBondContact O-N 2.81Å; S236-Q239 PolarHBondContact O-N 3.23Å; Q239-A241 VanDerWaalsContact C-N 3.28Å; Q239-A241 PolarHBondContact O-N 3Å; Q239-V242 PolarHBondContact O-N 3.03Å; Q239-V242 VanDerWaalsContact O-N 3.11Å; Q239-D243 PolarHBondContact NE2-OD1 3.44Å; Q239-D243 PolarHBondContact O-N 3.01Å |
| 240 | V | 94.2 | Very high | 90.8 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | S236 S237 D243 M244 | S236-V240 WeakPolarHBondContact O-CG2 3.22Å; S236-V240 PolarHBondContact O-N 3.37Å; S237-V240 PolarHBondContact O-N 3.4Å; V240-D243 PolarHBondContact O-N 3.39Å; V240-M244 VanDerWaalsContact O-CB 3.25Å; V240-M244 WeakPolarHBondContact O-CB 3.27Å; V240-M244 PolarHBondContact O-N 2.92Å |
| 241 | A | 91.7 | Very high | 91.5 | Very high | 59 Ų | 59 | 97.1 Ų | 97.1 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S237 E238 Q239 K245 | S237-A241 WeakPolarHBondContact O-CB 3.36Å; S237-A241 PolarHBondContact O-N 3.16Å; E238-A241 PolarHBondContact O-N 3.21Å; Q239-A241 VanDerWaalsContact C-N 3.28Å; Q239-A241 PolarHBondContact O-N 3Å; A241-K245 WeakPolarHBondContact O-CB 3.36Å; A241-K245 PolarHBondContact O-N 3.42Å |
| 242 | V | 93.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 98 Ų | 98 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | E238 Q239 K245 T246 | E238-V242 WeakPolarHBondContact O-CG2 3.43Å; E238-V242 PolarHBondContact O-N 3.07Å; Q239-V242 PolarHBondContact O-N 3.03Å; Q239-V242 VanDerWaalsContact O-N 3.11Å; V242-K245 WeakPolarHBondContact O-CB 3.38Å; V242-K245 PolarHBondContact O-N 3.4Å; V242-T246 PolarHBondContact O-N 3.35Å; V242-T246 PolarHBondContact O-OG1 3.21Å |
| 243 | D | 92.4 | Very high | 92 | Very high | 70 Ų | 70 | 95.9 Ų | 95.9 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 179.2 | -62.6 | -17.4 | 0 | 0 | 0 | 110.7 | Q239 V240 K245 T246 D247 | Q239-D243 PolarHBondContact NE2-OD1 3.44Å; Q239-D243 PolarHBondContact O-N 3.01Å; V240-D243 PolarHBondContact O-N 3.39Å; D243-K245 VanDerWaalsContact C-N 3.26Å; D243-K245 PolarHBondContact O-N 2.87Å; D243-T246 WeakPolarHBondContact CA-OG1 3.36Å; D243-T246 PolarHBondContact O-N 2.95Å; D243-T246 VanDerWaalsContact O-N 3.16Å; D243-T246 PolarHBondContact O-OG1 3.46Å; D243-D247 WeakPolarHBondContact O-CB 3.41Å; D243-D247 VanDerWaalsContact O-CG 3.23Å; D243-D247 PolarHBondContact O-N 3.4Å |
| 244 | M | 92.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 95.3 Ų | 95.3 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -35.6 | 175.5 | -168.7 | 179.3 | -169.9 | 0 | 0 | 111.8 | V240 L248 | V240-M244 VanDerWaalsContact O-CB 3.25Å; V240-M244 WeakPolarHBondContact O-CB 3.27Å; V240-M244 PolarHBondContact O-N 2.92Å; M244-L248 HydrophobicContact CE-CD1 4.2Å; M244-L248 HydrophobicContact CG-CD1 3.97Å; M244-L248 HydrophobicContact CG-CG 4.49Å; M244-L248 WeakPolarHBondContact O-CB 3.2Å; M244-L248 VanDerWaalsContact O-CG 3.22Å; M244-L248 WeakPolarHBondContact O-CG 3.23Å; M244-L248 PolarHBondContact O-N 3.1Å |
| 245 | K | 90.5 | Very high | 92.7 | Very high | 127 Ų | 127 | 96.1 Ų | 96.1 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -48.5 | 173.9 | -179.8 | -176.2 | 175.3 | -176.6 | 0 | 110.4 | A241 V242 D243 D247 L248 F249 | A241-K245 WeakPolarHBondContact O-CB 3.36Å; A241-K245 PolarHBondContact O-N 3.42Å; V242-K245 WeakPolarHBondContact O-CB 3.38Å; V242-K245 PolarHBondContact O-N 3.4Å; D243-K245 VanDerWaalsContact C-N 3.26Å; D243-K245 PolarHBondContact O-N 2.87Å; K245-D247 VanDerWaalsContact C-N 3.32Å; K245-D247 PolarHBondContact O-N 2.76Å; K245-L248 PolarHBondContact O-N 2.68Å; K245-F249 HydrophobicContact CD-CD2 4.42Å; K245-F249 HydrophobicContact CD-CE2 4.16Å; K245-F249 HydrophobicContact CG-CD2 3.47Å; K245-F249 VanDerWaalsContact CG-CD2 3.47Å; K245-F249 HydrophobicContact CG-CE2 3.59Å; K245-F249 WeakPolarHBondContact O-CB 3.4Å; K245-F249 VanDerWaalsContact O-CD2 3.27Å; K245-F249 WeakPolarHBondContact O-CD2 3.31Å; K245-F249 PolarHBondContact O-N 3.4Å |
| 246 | T | 90 | Very high | 92.8 | Very high | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.9 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | V242 D243 L248 F249 | V242-T246 PolarHBondContact O-N 3.35Å; V242-T246 PolarHBondContact O-OG1 3.21Å; D243-T246 WeakPolarHBondContact CA-OG1 3.36Å; D243-T246 PolarHBondContact O-N 2.95Å; D243-T246 VanDerWaalsContact O-N 3.16Å; D243-T246 PolarHBondContact O-OG1 3.46Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.33Å; T246-F249 PolarHBondContact O-N 3.3Å |
| 247 | D | 90.9 | Very high | 93 | Very high | 117 Ų | 117 | 93.5 Ų | 93.5 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -31.1 | 179.1 | -71.8 | -7.3 | 0 | 0 | 0 | 113 | D243 K245 P251 | D243-D247 WeakPolarHBondContact O-CB 3.41Å; D243-D247 VanDerWaalsContact O-CG 3.23Å; D243-D247 PolarHBondContact O-N 3.4Å; K245-D247 VanDerWaalsContact C-N 3.32Å; K245-D247 PolarHBondContact O-N 2.76Å; D247-P251 WeakPolarHBondContact O-CD 3.19Å; D247-P251 WeakPolarHBondContact O-CG 3.49Å |
| 248 | L | 93 | Very high | 93.3 | Very high | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -89 | -29.4 | 178.8 | -70.1 | 173.4 | 0 | 0 | 0 | 113.5 | M244 K245 T246 P251 L252 | M244-L248 HydrophobicContact CE-CD1 4.2Å; M244-L248 HydrophobicContact CG-CD1 3.97Å; M244-L248 HydrophobicContact CG-CG 4.49Å; M244-L248 WeakPolarHBondContact O-CB 3.2Å; M244-L248 VanDerWaalsContact O-CG 3.22Å; M244-L248 WeakPolarHBondContact O-CG 3.23Å; M244-L248 PolarHBondContact O-N 3.1Å; K245-L248 PolarHBondContact O-N 2.68Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.33Å; L248-P251 WeakPolarHBondContact O-CD 2.96Å; L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 PolarHBondContact O-N 2.87Å; L248-L252 VanDerWaalsContact O-N 3.1Å |
| 249 | F | 92.5 | Very high | 93.5 | Very high | 112 Ų | 112 | 91.5 Ų | 91.5 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | -176.5 | -103.9 | -92.3 | 0 | 0 | 0 | 112.5 | K245 T246 L252 T253 | K245-F249 HydrophobicContact CD-CD2 4.42Å; K245-F249 HydrophobicContact CD-CE2 4.16Å; K245-F249 HydrophobicContact CG-CD2 3.47Å; K245-F249 VanDerWaalsContact CG-CD2 3.47Å; K245-F249 HydrophobicContact CG-CE2 3.59Å; K245-F249 WeakPolarHBondContact O-CB 3.4Å; K245-F249 VanDerWaalsContact O-CD2 3.27Å; K245-F249 WeakPolarHBondContact O-CD2 3.31Å; K245-F249 PolarHBondContact O-N 3.4Å; T246-F249 PolarHBondContact O-N 3.3Å; F249-L252 PolarHBondContact O-N 3.45Å; F249-T253 VanDerWaalsContact O-CB 3.26Å; F249-T253 WeakPolarHBondContact O-CB 3.26Å; F249-T253 PolarHBondContact O-N 2.92Å; F249-T253 PolarHBondContact O-OG1 3.5Å |
| 250 | D | 87.9 | Confident | 93.6 | Very high | 124 Ų | 124 | 88.1 Ų | 88.1 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -50.6 | -180 | -73.8 | -15.1 | 0 | 0 | 0 | 112 | L252 T253 Q254 | D250-L252 VanDerWaalsContact C-N 3.34Å; D250-L252 PolarHBondContact O-N 2.93Å; D250-T253 PolarHBondContact O-N 2.94Å; D250-Q254 WeakPolarHBondContact O-CB 3.3Å; D250-Q254 PolarHBondContact O-N 2.94Å |
| 251 | P | 93.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 88.4 Ų | 88.4 | 51% | 0.506 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 173.7 | -23.8 | 33.2 | 0 | 0 | 0 | 113.5 | D247 L248 Q254 L255 | D247-P251 WeakPolarHBondContact O-CD 3.19Å; D247-P251 WeakPolarHBondContact O-CG 3.49Å; L248-P251 WeakPolarHBondContact O-CD 2.96Å; P251-Q254 PolarHBondContact O-N 3.04Å; P251-L255 VanDerWaalsContact O-CB 3.3Å; P251-L255 WeakPolarHBondContact O-CB 3.47Å; P251-L255 PolarHBondContact O-N 3.3Å |
| 252 | L | 93.5 | Very high | 94 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 180 | -173.8 | 67.8 | 0 | 0 | 0 | 111.7 | L248 F249 D250 L255 T256 | L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.49Å; L248-L252 PolarHBondContact O-N 2.87Å; L248-L252 VanDerWaalsContact O-N 3.1Å; F249-L252 PolarHBondContact O-N 3.45Å; D250-L252 VanDerWaalsContact C-N 3.34Å; D250-L252 PolarHBondContact O-N 2.93Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-T256 WeakPolarHBondContact O-CB 3.46Å; L252-T256 PolarHBondContact O-N 2.97Å; L252-T256 PolarHBondContact O-OG1 3.42Å |
| 253 | T | 94 | Very high | 94.2 | Very high | 84 Ų | 84 | 90.3 Ų | 90.3 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | F249 D250 T256 S257 | F249-T253 VanDerWaalsContact O-CB 3.26Å; F249-T253 WeakPolarHBondContact O-CB 3.26Å; F249-T253 PolarHBondContact O-N 2.92Å; F249-T253 PolarHBondContact O-OG1 3.5Å; D250-T253 PolarHBondContact O-N 2.94Å; T253-T256 PolarHBondContact O-N 3.1Å; T253-S257 PolarHBondContact O-N 3.32Å |
| 254 | Q | 95.1 | Very high | 94.3 | Very high | 110 Ų | 110 | 90.2 Ų | 90.2 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.2 | -172.8 | 60.5 | 38.5 | 0 | 0 | 111.3 | D250 P251 T256 S257 D258 | D250-Q254 WeakPolarHBondContact O-CB 3.3Å; D250-Q254 PolarHBondContact O-N 2.94Å; P251-Q254 PolarHBondContact O-N 3.04Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.92Å; Q254-S257 WeakPolarHBondContact O-CB 3.38Å; Q254-S257 PolarHBondContact O-N 2.89Å; Q254-S257 VanDerWaalsContact O-N 3.1Å; Q254-D258 PolarHBondContact NE2-OD1 2.88Å; Q254-D258 VanDerWaalsContact O-CG 3.25Å; Q254-D258 PolarHBondContact O-N 3.42Å |
| 255 | L | 96.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 177.1 | -179.3 | 64.3 | 0 | 0 | 0 | 111.6 | P251 L252 S257 D258 I259 | P251-L255 VanDerWaalsContact O-CB 3.3Å; P251-L255 WeakPolarHBondContact O-CB 3.47Å; P251-L255 PolarHBondContact O-N 3.3Å; L252-L255 PolarHBondContact O-N 2.93Å; L255-S257 VanDerWaalsContact C-N 3.34Å; L255-D258 PolarHBondContact O-N 3.07Å; L255-I259 HydrophobicContact CD1-CD1 4Å; L255-I259 HydrophobicContact CD1-CG1 4.28Å; L255-I259 HydrophobicContact CD2-CD1 4.43Å; L255-I259 HydrophobicContact CG-CD1 3.78Å; L255-I259 HydrophobicContact CG-CG1 4.44Å; L255-I259 WeakPolarHBondContact O-CB 3.18Å; L255-I259 WeakPolarHBondContact O-CD1 3.43Å; L255-I259 WeakPolarHBondContact O-CG1 3.26Å; L255-I259 PolarHBondContact O-N 3.38Å |
| 256 | T | 96.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 89.7 Ų | 89.7 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | L252 T253 Q254 G260 | L252-T256 WeakPolarHBondContact O-CB 3.46Å; L252-T256 PolarHBondContact O-N 2.97Å; L252-T256 PolarHBondContact O-OG1 3.42Å; T253-T256 PolarHBondContact O-N 3.1Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.92Å; T256-G260 PolarHBondContact O-N 3.1Å |
| 257 | S | 96.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 89.6 Ų | 89.6 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 174.2 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | T253 Q254 L255 I259 G260 E261 | T253-S257 PolarHBondContact O-N 3.32Å; Q254-S257 WeakPolarHBondContact O-CB 3.38Å; Q254-S257 PolarHBondContact O-N 2.89Å; Q254-S257 VanDerWaalsContact O-N 3.1Å; L255-S257 VanDerWaalsContact C-N 3.34Å; S257-I259 VanDerWaalsContact C-N 3.35Å; S257-I259 PolarHBondContact O-N 2.92Å; S257-G260 CarbonylContact O-C 3.58Å; S257-G260 WeakPolarHBondContact O-CA 3.45Å; S257-G260 PolarHBondContact O-N 2.89Å; S257-G260 VanDerWaalsContact O-N 3.07Å; S257-E261 PolarHBondContact O-N 3.29Å |
| 258 | D | 97.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 89.6 Ų | 89.6 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 180 | -65 | -13.6 | 0 | 0 | 0 | 111.5 | Q254 L255 E261 T262 | Q254-D258 PolarHBondContact NE2-OD1 2.88Å; Q254-D258 VanDerWaalsContact O-CG 3.25Å; Q254-D258 PolarHBondContact O-N 3.42Å; L255-D258 PolarHBondContact O-N 3.07Å; D258-E261 PolarHBondContact O-N 2.88Å; D258-T262 WeakPolarHBondContact O-CG2 3.35Å; D258-T262 PolarHBondContact O-N 3.43Å; D258-T262 PolarHBondContact O-OG1 3.49Å; D258-T262 VanDerWaalsContact O-OG1 3.08Å |
| 259 | I | 97.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 92 Ų | 92 | 41% | 0.41 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 172.3 | -69.8 | 167.4 | 0 | 0 | 0 | 110.3 | L255 S257 E261 T262 I263 | L255-I259 HydrophobicContact CD1-CD1 4Å; L255-I259 HydrophobicContact CD1-CG1 4.28Å; L255-I259 HydrophobicContact CD2-CD1 4.43Å; L255-I259 HydrophobicContact CG-CD1 3.78Å; L255-I259 HydrophobicContact CG-CG1 4.44Å; L255-I259 WeakPolarHBondContact O-CB 3.18Å; L255-I259 WeakPolarHBondContact O-CD1 3.43Å; L255-I259 WeakPolarHBondContact O-CG1 3.26Å; L255-I259 PolarHBondContact O-N 3.38Å; S257-I259 VanDerWaalsContact C-N 3.35Å; S257-I259 PolarHBondContact O-N 2.92Å; I259-E261 VanDerWaalsContact C-N 3.33Å; I259-E261 PolarHBondContact O-N 3.39Å; I259-T262 WeakPolarHBondContact CA-OG1 3.33Å; I259-T262 PolarHBondContact O-N 2.87Å; I259-T262 PolarHBondContact O-OG1 3.43Å; I259-I263 HydrophobicContact CG2-CD1 3.63Å; I259-I263 HydrophobicContact CG2-CG1 4.26Å; I259-I263 WeakPolarHBondContact O-CB 3.47Å; I259-I263 VanDerWaalsContact O-CG1 3.26Å; I259-I263 WeakPolarHBondContact O-CG1 3.29Å; I259-I263 PolarHBondContact O-N 2.86Å |
| 260 | G | 97.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 91.8 Ų | 91.8 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T256 S257 S264 | T256-G260 PolarHBondContact O-N 3.1Å; S257-G260 CarbonylContact O-C 3.58Å; S257-G260 WeakPolarHBondContact O-CA 3.45Å; S257-G260 PolarHBondContact O-N 2.89Å; S257-G260 VanDerWaalsContact O-N 3.07Å; G260-S264 WeakPolarHBondContact O-CB 3.35Å; G260-S264 PolarHBondContact O-N 3.25Å; G260-S264 PolarHBondContact O-OG 2.91Å |
| 261 | E | 97.2 | Very high | 96.3 | Very high | 95 Ų | 95 | 92.1 Ų | 92.1 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175 | -74.4 | -166.9 | -167.3 | 0 | 0 | 112.6 | S257 D258 I259 S264 K265 | S257-E261 PolarHBondContact O-N 3.29Å; D258-E261 PolarHBondContact O-N 2.88Å; I259-E261 VanDerWaalsContact C-N 3.33Å; I259-E261 PolarHBondContact O-N 3.39Å; E261-S264 PolarHBondContact O-N 2.83Å; E261-K265 WeakPolarHBondContact O-CB 3.39Å; E261-K265 VanDerWaalsContact O-CG 3.29Å; E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.08Å; E261-K265 IonicContact OE2-NZ 3.2Å; E261-K265 PolarHBondContact OE2-NZ 2.86Å; E261-K265 VanDerWaalsContact OE2-NZ 3.07Å |
| 262 | T | 96.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | -180 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | D258 I259 S264 K265 I266 | D258-T262 WeakPolarHBondContact O-CG2 3.35Å; D258-T262 PolarHBondContact O-N 3.43Å; D258-T262 PolarHBondContact O-OG1 3.49Å; D258-T262 VanDerWaalsContact O-OG1 3.08Å; I259-T262 WeakPolarHBondContact CA-OG1 3.33Å; I259-T262 PolarHBondContact O-N 2.87Å; I259-T262 PolarHBondContact O-OG1 3.43Å; T262-S264 VanDerWaalsContact C-N 3.31Å; T262-S264 PolarHBondContact O-N 2.87Å; T262-K265 PolarHBondContact O-N 3.41Å; T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 VanDerWaalsContact O-CG1 3.23Å; T262-I266 WeakPolarHBondContact O-CG1 3.28Å; T262-I266 PolarHBondContact O-N 3.29Å |
| 263 | I | 97.6 | Very high | 96.7 | Very high | 97 Ų | 97 | 92.9 Ų | 92.9 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 172.3 | -69.6 | 169.8 | 0 | 0 | 0 | 110.7 | I259 K265 I266 N267 | I259-I263 HydrophobicContact CG2-CD1 3.63Å; I259-I263 HydrophobicContact CG2-CG1 4.26Å; I259-I263 WeakPolarHBondContact O-CB 3.47Å; I259-I263 VanDerWaalsContact O-CG1 3.26Å; I259-I263 WeakPolarHBondContact O-CG1 3.29Å; I259-I263 PolarHBondContact O-N 2.86Å; I263-K265 PolarHBondContact O-N 3.25Å; I263-I266 PolarHBondContact O-N 3.01Å; I263-N267 WeakPolarHBondContact O-CB 3.35Å; I263-N267 PolarHBondContact O-N 2.81Å |
| 264 | S | 95.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 92.5 Ų | 92.5 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | G260 E261 T262 N267 L268 | G260-S264 WeakPolarHBondContact O-CB 3.35Å; G260-S264 PolarHBondContact O-N 3.25Å; G260-S264 PolarHBondContact O-OG 2.91Å; E261-S264 PolarHBondContact O-N 2.83Å; T262-S264 VanDerWaalsContact C-N 3.31Å; T262-S264 PolarHBondContact O-N 2.87Å; S264-N267 PolarHBondContact O-N 3.07Å; S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 3.48Å |
| 265 | K | 97.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 90.3 Ų | 90.3 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.5 | -71.2 | 165.9 | -170.3 | 159.5 | 0 | 111.5 | E261 T262 I263 L268 R269 | E261-K265 WeakPolarHBondContact O-CB 3.39Å; E261-K265 VanDerWaalsContact O-CG 3.29Å; E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.08Å; E261-K265 IonicContact OE2-NZ 3.2Å; E261-K265 PolarHBondContact OE2-NZ 2.86Å; E261-K265 VanDerWaalsContact OE2-NZ 3.07Å; T262-K265 PolarHBondContact O-N 3.41Å; I263-K265 PolarHBondContact O-N 3.25Å; K265-L268 PolarHBondContact O-N 3.49Å; K265-R269 WeakPolarHBondContact O-CB 3.45Å; K265-R269 PolarHBondContact O-N 3.17Å |
| 266 | I | 97.1 | Very high | 96.8 | Very high | 110 Ų | 110 | 90.6 Ų | 90.6 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 176.2 | -70.3 | 164.2 | 0 | 0 | 0 | 110.4 | T262 I263 L268 R269 E270 | T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 VanDerWaalsContact O-CG1 3.23Å; T262-I266 WeakPolarHBondContact O-CG1 3.28Å; T262-I266 PolarHBondContact O-N 3.29Å; I263-I266 PolarHBondContact O-N 3.01Å; I266-L268 PolarHBondContact O-N 2.92Å; I266-R269 CarbonylContact O-C 3.58Å; I266-R269 WeakPolarHBondContact O-CB 3.33Å; I266-R269 PolarHBondContact O-N 3.31Å; I266-R269 VanDerWaalsContact O-N 3.1Å; I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 PolarHBondContact O-N 3.41Å |
| 267 | N | 97 | Very high | 96.8 | Very high | 71 Ų | 71 | 90.8 Ų | 90.8 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | -179.9 | -166.5 | -20.7 | 0 | 0 | 0 | 111.7 | I263 S264 R269 E270 K271 | I263-N267 WeakPolarHBondContact O-CB 3.35Å; I263-N267 PolarHBondContact O-N 2.81Å; S264-N267 PolarHBondContact O-N 3.07Å; N267-R269 VanDerWaalsContact C-N 3.35Å; N267-R269 PolarHBondContact O-N 2.81Å; N267-E270 PolarHBondContact O-N 2.8Å; N267-K271 WeakPolarHBondContact O-CB 3.5Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.43Å; N267-K271 VanDerWaalsContact OD1-CE 3.28Å; N267-K271 WeakPolarHBondContact OD1-CE 3.39Å |
| 268 | L | 96.9 | Very high | 96.8 | Very high | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 172.1 | -72.3 | 170.7 | 0 | 0 | 0 | 112 | S264 K265 I266 K271 Y272 | S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.49Å; S264-L268 PolarHBondContact O-N 3.48Å; K265-L268 PolarHBondContact O-N 3.49Å; I266-L268 PolarHBondContact O-N 2.92Å; L268-K271 PolarHBondContact O-N 3.45Å; L268-Y272 WeakPolarHBondContact O-CB 3.32Å; L268-Y272 PolarHBondContact O-N 2.97Å |
| 269 | R | 97.2 | Very high | 96.7 | Very high | 150 Ų | 150 | 94.2 Ų | 94.2 | 57% | 0.566 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 177.4 | -173.2 | 58.9 | 174.8 | 177.9 | 0.7 | 112 | K265 I266 N267 Y272 I273 | K265-R269 WeakPolarHBondContact O-CB 3.45Å; K265-R269 PolarHBondContact O-N 3.17Å; I266-R269 CarbonylContact O-C 3.58Å; I266-R269 WeakPolarHBondContact O-CB 3.33Å; I266-R269 PolarHBondContact O-N 3.31Å; I266-R269 VanDerWaalsContact O-N 3.1Å; N267-R269 VanDerWaalsContact C-N 3.35Å; N267-R269 PolarHBondContact O-N 2.81Å; R269-Y272 PolarHBondContact O-N 2.93Å; R269-I273 HydrophobicContact CG-CD1 4.03Å; R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 2.93Å |
| 270 | E | 96.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 174.8 | -171.8 | -171.4 | 162.1 | 0 | 0 | 110.8 | I266 N267 Y272 I273 N274 | I266-E270 WeakPolarHBondContact O-CB 3.45Å; I266-E270 PolarHBondContact O-N 3.41Å; N267-E270 PolarHBondContact O-N 2.8Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 PolarHBondContact O-N 3.5Å; E270-I273 PolarHBondContact O-N 3.1Å; E270-I273 VanDerWaalsContact O-N 3.17Å; E270-N274 WeakPolarHBondContact O-CB 3.3Å; E270-N274 VanDerWaalsContact O-CG 3.27Å; E270-N274 PolarHBondContact O-N 2.95Å; E270-N274 PolarHBondContact O-ND2 2.87Å |
| 271 | K | 97.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 96.9 Ų | 96.9 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.5 | -42.1 | 174.4 | -75.6 | 175.4 | -179.8 | 175.4 | 0 | 112.1 | N267 L268 S275 | N267-K271 WeakPolarHBondContact O-CB 3.5Å; N267-K271 WeakPolarHBondContact O-CG 3.45Å; N267-K271 PolarHBondContact O-N 3.43Å; N267-K271 VanDerWaalsContact OD1-CE 3.28Å; N267-K271 WeakPolarHBondContact OD1-CE 3.39Å; L268-K271 PolarHBondContact O-N 3.45Å; K271-S275 WeakPolarHBondContact O-CB 3.4Å; K271-S275 PolarHBondContact O-N 2.67Å |
| 272 | Y | 97.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 176.3 | 179.2 | -96.3 | 0 | 0 | 0 | 111.7 | L268 R269 E270 N274 S275 Q276 | L268-Y272 WeakPolarHBondContact O-CB 3.32Å; L268-Y272 PolarHBondContact O-N 2.97Å; R269-Y272 PolarHBondContact O-N 2.93Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 PolarHBondContact O-N 3.5Å; Y272-N274 PolarHBondContact O-N 3.47Å; Y272-S275 PolarHBondContact O-N 3.08Å; Y272-S275 PolarHBondContact O-OG 3.38Å; Y272-Q276 HydrophobicContact CD1-CG 4.38Å; Y272-Q276 HydrophobicContact CE1-CG 4.02Å; Y272-Q276 WeakPolarHBondContact O-CG 3.07Å; Y272-Q276 PolarHBondContact O-N 3.22Å; Y272-Q276 VanDerWaalsContact O-N 3.08Å |
| 273 | I | 97.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 99 Ų | 99 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -46 | 177.6 | -70 | 167.4 | 0 | 0 | 0 | 110.3 | R269 E270 S275 Q276 L277 | R269-I273 HydrophobicContact CG-CD1 4.03Å; R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.47Å; R269-I273 PolarHBondContact O-N 2.93Å; E270-I273 PolarHBondContact O-N 3.1Å; E270-I273 VanDerWaalsContact O-N 3.17Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.3Å; I273-Q276 CarbonylContact O-C 3.59Å; I273-Q276 WeakPolarHBondContact O-CA 3.41Å; I273-Q276 WeakPolarHBondContact O-CB 3.49Å; I273-Q276 PolarHBondContact O-N 3.19Å; I273-L277 HydrophobicContact CG2-CD1 3.69Å; I273-L277 HydrophobicContact CG2-CG 4.13Å; I273-L277 WeakPolarHBondContact O-CG 3.35Å; I273-L277 PolarHBondContact O-N 3.28Å |
| 274 | N | 95.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177 | -70 | -16 | 0 | 0 | 0 | 111.3 | E270 Y272 Q276 L277 E278 | E270-N274 WeakPolarHBondContact O-CB 3.3Å; E270-N274 VanDerWaalsContact O-CG 3.27Å; E270-N274 PolarHBondContact O-N 2.95Å; E270-N274 PolarHBondContact O-ND2 2.87Å; Y272-N274 PolarHBondContact O-N 3.47Å; N274-Q276 PolarHBondContact O-N 2.87Å; N274-L277 PolarHBondContact O-N 3.01Å; N274-E278 WeakPolarHBondContact O-CB 3.49Å; N274-E278 PolarHBondContact O-N 2.98Å |
| 275 | S | 96 | Very high | 96.5 | Very high | 65 Ų | 65 | 101.3 Ų | 101.3 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -28.1 | 175.2 | 75 | 0 | 0 | 0 | 0 | 113.8 | K271 Y272 I273 P279 | K271-S275 WeakPolarHBondContact O-CB 3.4Å; K271-S275 PolarHBondContact O-N 2.67Å; Y272-S275 PolarHBondContact O-N 3.08Å; Y272-S275 PolarHBondContact O-OG 3.38Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.3Å; S275-P279 WeakPolarHBondContact O-CD 3.44Å |
| 276 | Q | 95.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81.9 | -31.1 | 175.8 | -64.4 | -65.3 | -23 | 0 | 0 | 112 | Y272 I273 N274 P279 | Y272-Q276 HydrophobicContact CD1-CG 4.38Å; Y272-Q276 HydrophobicContact CE1-CG 4.02Å; Y272-Q276 WeakPolarHBondContact O-CG 3.07Å; Y272-Q276 PolarHBondContact O-N 3.22Å; Y272-Q276 VanDerWaalsContact O-N 3.08Å; I273-Q276 CarbonylContact O-C 3.59Å; I273-Q276 WeakPolarHBondContact O-CA 3.41Å; I273-Q276 WeakPolarHBondContact O-CB 3.49Å; I273-Q276 PolarHBondContact O-N 3.19Å; N274-Q276 PolarHBondContact O-N 2.87Å; Q276-P279 WeakPolarHBondContact O-CD 3.46Å; Q276-P279 VanDerWaalsContact O-CG 3.29Å; Q276-P279 WeakPolarHBondContact O-CG 3.47Å |
| 277 | L | 96.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 100.4 Ų | 100.4 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.3 | -33.1 | 179.1 | -70.6 | 176.5 | 0 | 0 | 0 | 112.8 | I273 N274 I280 L281 | I273-L277 HydrophobicContact CG2-CD1 3.69Å; I273-L277 HydrophobicContact CG2-CG 4.13Å; I273-L277 WeakPolarHBondContact O-CG 3.35Å; I273-L277 PolarHBondContact O-N 3.28Å; N274-L277 PolarHBondContact O-N 3.01Å; L277-I280 PolarHBondContact O-N 3.43Å; L277-I280 VanDerWaalsContact O-N 3.15Å; L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 PolarHBondContact O-N 2.91Å |
| 278 | E | 96.2 | Very high | 96.5 | Very high | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -50.9 | -49.1 | 178.7 | -157.4 | 72.1 | -143.5 | 0 | 0 | 114 | N274 I280 L281 N282 | N274-E278 WeakPolarHBondContact O-CB 3.49Å; N274-E278 PolarHBondContact O-N 2.98Å; E278-I280 PolarHBondContact O-N 3.14Å; E278-L281 PolarHBondContact O-N 3.41Å; E278-N282 WeakPolarHBondContact O-CB 3.4Å; E278-N282 PolarHBondContact O-N 2.93Å |
| 279 | P | 96.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 103.7 Ų | 103.7 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 178.3 | 25 | -34.8 | 0 | 0 | 0 | 112.6 | S275 Q276 N282 E283 | S275-P279 WeakPolarHBondContact O-CD 3.44Å; Q276-P279 WeakPolarHBondContact O-CD 3.46Å; Q276-P279 VanDerWaalsContact O-CG 3.29Å; Q276-P279 WeakPolarHBondContact O-CG 3.47Å; P279-N282 PolarHBondContact O-N 2.91Å; P279-E283 PolarHBondContact O-N 3.26Å |
| 280 | I | 95.9 | Very high | 96.5 | Very high | 92 Ų | 92 | 100 Ų | 100 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.7 | -60.3 | 172.1 | 0 | 0 | 0 | 109.8 | L277 E278 N282 E283 I284 | L277-I280 PolarHBondContact O-N 3.43Å; L277-I280 VanDerWaalsContact O-N 3.15Å; E278-I280 PolarHBondContact O-N 3.14Å; I280-N282 VanDerWaalsContact C-N 3.31Å; I280-N282 PolarHBondContact O-N 2.97Å; I280-E283 WeakPolarHBondContact O-CB 3.38Å; I280-E283 PolarHBondContact O-N 3.39Å; I280-I284 HydrophobicContact CG2-CD1 4.11Å; I280-I284 WeakPolarHBondContact O-CG1 3.37Å; I280-I284 PolarHBondContact O-N 3.43Å |
| 281 | L | 96.7 | Very high | 96.4 | Very high | 77 Ų | 77 | 99.2 Ų | 99.2 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -43 | 176.9 | -160.6 | 84.7 | 0 | 0 | 0 | 110.9 | L277 E278 E283 I284 Y285 | L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 PolarHBondContact O-N 2.91Å; E278-L281 PolarHBondContact O-N 3.41Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.21Å; L281-I284 PolarHBondContact O-N 3.46Å; L281-Y285 HydrophobicContact CD1-CE2 4.48Å; L281-Y285 HydrophobicContact CD2-CD2 4.38Å; L281-Y285 HydrophobicContact CD2-CE2 3.52Å; L281-Y285 HydrophobicContact CG-CD2 4.1Å; L281-Y285 HydrophobicContact CG-CE2 3.54Å; L281-Y285 WeakPolarHBondContact O-CD2 3.5Å; L281-Y285 PolarHBondContact O-N 2.92Å |
| 282 | N | 96.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 95.6 Ų | 95.6 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 176.6 | -164.4 | 12 | 0 | 0 | 0 | 112 | E278 P279 I280 Y285 K286 | E278-N282 WeakPolarHBondContact O-CB 3.4Å; E278-N282 PolarHBondContact O-N 2.93Å; P279-N282 PolarHBondContact O-N 2.91Å; I280-N282 VanDerWaalsContact C-N 3.31Å; I280-N282 PolarHBondContact O-N 2.97Å; N282-Y285 PolarHBondContact O-N 3.25Å; N282-K286 VanDerWaalsContact O-CG 3.31Å; N282-K286 WeakPolarHBondContact O-CG 3.21Å; N282-K286 PolarHBondContact O-N 3.42Å |
| 283 | E | 96.7 | Very high | 96.4 | Very high | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 173.2 | -169.5 | 175.5 | -175.8 | 0 | 0 | 112 | P279 I280 L281 Y285 K286 T287 | P279-E283 PolarHBondContact O-N 3.26Å; I280-E283 WeakPolarHBondContact O-CB 3.38Å; I280-E283 PolarHBondContact O-N 3.39Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.21Å; E283-Y285 VanDerWaalsContact C-N 3.31Å; E283-Y285 PolarHBondContact O-N 2.9Å; E283-K286 PolarHBondContact O-N 3.3Å; E283-T287 WeakPolarHBondContact O-CG2 3.48Å; E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 3.32Å |
| 284 | I | 96.5 | Very high | 96.4 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 172.9 | -68.3 | 168.9 | 0 | 0 | 0 | 110.7 | I280 L281 T287 R288 | I280-I284 HydrophobicContact CG2-CD1 4.11Å; I280-I284 WeakPolarHBondContact O-CG1 3.37Å; I280-I284 PolarHBondContact O-N 3.43Å; L281-I284 PolarHBondContact O-N 3.46Å; I284-T287 WeakPolarHBondContact CA-OG1 3.36Å; I284-T287 PolarHBondContact O-OG1 3.31Å; I284-R288 WeakPolarHBondContact O-CB 3.49Å; I284-R288 PolarHBondContact O-N 2.95Å |
| 285 | Y | 96.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.9 | -74.2 | -56.6 | 0 | 0 | 0 | 112.7 | L281 N282 E283 R288 N289 | L281-Y285 HydrophobicContact CD1-CE2 4.48Å; L281-Y285 HydrophobicContact CD2-CD2 4.38Å; L281-Y285 HydrophobicContact CD2-CE2 3.52Å; L281-Y285 HydrophobicContact CG-CD2 4.1Å; L281-Y285 HydrophobicContact CG-CE2 3.54Å; L281-Y285 WeakPolarHBondContact O-CD2 3.5Å; L281-Y285 PolarHBondContact O-N 2.92Å; N282-Y285 PolarHBondContact O-N 3.25Å; E283-Y285 VanDerWaalsContact C-N 3.31Å; E283-Y285 PolarHBondContact O-N 2.9Å; Y285-R288 PolarHBondContact O-N 3.37Å; Y285-N289 WeakPolarHBondContact O-CB 3.46Å; Y285-N289 PolarHBondContact O-N 3.47Å; Y285-N289 PolarHBondContact O-ND2 3.24Å |
| 286 | K | 97 | Very high | 96.4 | Very high | 135 Ų | 135 | 97 Ų | 97 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 176.4 | -73.6 | 172.7 | -175.5 | 177.6 | 0 | 111.7 | N282 E283 N289 C290 | N282-K286 VanDerWaalsContact O-CG 3.31Å; N282-K286 WeakPolarHBondContact O-CG 3.21Å; N282-K286 PolarHBondContact O-N 3.42Å; E283-K286 PolarHBondContact O-N 3.3Å; K286-N289 PolarHBondContact O-N 3.15Å; K286-C290 WeakPolarHBondContact O-CB 3.41Å; K286-C290 PolarHBondContact O-N 3.47Å |
| 287 | T | 96.2 | Very high | 96.5 | Very high | 81 Ų | 81 | 96.7 Ų | 96.7 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 178 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | E283 I284 N289 C290 L291 | E283-T287 WeakPolarHBondContact O-CG2 3.48Å; E283-T287 PolarHBondContact O-N 2.9Å; E283-T287 PolarHBondContact O-OG1 3.32Å; I284-T287 WeakPolarHBondContact CA-OG1 3.36Å; I284-T287 PolarHBondContact O-OG1 3.31Å; T287-N289 PolarHBondContact O-N 3.48Å; T287-C290 PolarHBondContact O-N 2.94Å; T287-L291 WeakPolarHBondContact O-CB 3.43Å; T287-L291 PolarHBondContact O-N 2.73Å |
| 288 | R | 97.4 | Very high | 96.4 | Very high | 162 Ų | 162 | 100.5 Ų | 100.5 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 173.8 | -170.2 | -177.1 | 101 | 133 | 1.9 | 112.3 | I284 Y285 L291 A292 | I284-R288 WeakPolarHBondContact O-CB 3.49Å; I284-R288 PolarHBondContact O-N 2.95Å; Y285-R288 PolarHBondContact O-N 3.37Å; R288-L291 PolarHBondContact O-N 2.85Å; R288-A292 PolarHBondContact O-N 3.19Å |
| 289 | N | 96.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 179.5 | -70.9 | -12 | 0 | 0 | 0 | 111.5 | Y285 K286 T287 L291 A292 E293 | Y285-N289 WeakPolarHBondContact O-CB 3.46Å; Y285-N289 PolarHBondContact O-N 3.47Å; Y285-N289 PolarHBondContact O-ND2 3.24Å; K286-N289 PolarHBondContact O-N 3.15Å; T287-N289 PolarHBondContact O-N 3.48Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.92Å; N289-A292 WeakPolarHBondContact O-CB 3.35Å; N289-A292 PolarHBondContact O-N 2.94Å; N289-A292 VanDerWaalsContact O-N 3.14Å; N289-E293 PolarHBondContact O-N 2.98Å |
| 290 | C | 97.3 | Very high | 96.4 | Very high | 72 Ų | 72 | 103.4 Ų | 103.4 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | K286 T287 A292 E293 V294 | K286-C290 WeakPolarHBondContact O-CB 3.41Å; K286-C290 PolarHBondContact O-N 3.47Å; T287-C290 PolarHBondContact O-N 2.94Å; C290-A292 VanDerWaalsContact C-N 3.34Å; C290-A292 PolarHBondContact O-N 3.49Å; C290-E293 PolarHBondContact O-N 2.89Å; C290-V294 WeakPolarHBondContact O-CG2 3.31Å; C290-V294 PolarHBondContact O-N 2.92Å |
| 291 | L | 95.2 | Very high | 96.5 | Very high | 93 Ų | 93 | 102 Ų | 102 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 175.8 | 179.3 | 142.5 | 0 | 0 | 0 | 112.6 | T287 R288 N289 K295 | T287-L291 WeakPolarHBondContact O-CB 3.43Å; T287-L291 PolarHBondContact O-N 2.73Å; R288-L291 PolarHBondContact O-N 2.85Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.92Å; L291-K295 HydrophobicContact CD2-CD 3.84Å; L291-K295 WeakPolarHBondContact O-CB 3.18Å; L291-K295 WeakPolarHBondContact O-CG 3.29Å; L291-K295 PolarHBondContact O-N 3.37Å |
| 292 | A | 96.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R288 N289 C290 K295 A296 | R288-A292 PolarHBondContact O-N 3.19Å; N289-A292 WeakPolarHBondContact O-CB 3.35Å; N289-A292 PolarHBondContact O-N 2.94Å; N289-A292 VanDerWaalsContact O-N 3.14Å; C290-A292 VanDerWaalsContact C-N 3.34Å; C290-A292 PolarHBondContact O-N 3.49Å; A292-K295 PolarHBondContact O-N 2.87Å; A292-A296 WeakPolarHBondContact O-CB 3.46Å; A292-A296 PolarHBondContact O-N 3.15Å |
| 293 | E | 96.9 | Very high | 96.4 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 176.2 | -171.8 | 179.4 | 175.6 | 0 | 0 | 111.6 | N289 C290 K295 A296 N297 | N289-E293 PolarHBondContact O-N 2.98Å; C290-E293 PolarHBondContact O-N 2.89Å; E293-K295 VanDerWaalsContact C-N 3.31Å; E293-K295 PolarHBondContact O-N 3.34Å; E293-A296 WeakPolarHBondContact O-CB 3.44Å; E293-A296 PolarHBondContact O-N 2.89Å; E293-A296 VanDerWaalsContact O-N 3.12Å; E293-N297 VanDerWaalsContact O-CG 3.32Å; E293-N297 PolarHBondContact O-N 3.4Å |
| 294 | V | 95.9 | Very high | 96.3 | Very high | 89 Ų | 89 | 97.3 Ų | 97.3 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | C290 A296 N297 Y298 | C290-V294 WeakPolarHBondContact O-CG2 3.31Å; C290-V294 PolarHBondContact O-N 2.92Å; V294-A296 PolarHBondContact O-N 3.46Å; V294-N297 PolarHBondContact O-N 3.32Å; V294-Y298 WeakPolarHBondContact O-CB 3.42Å; V294-Y298 PolarHBondContact O-N 2.88Å |
| 295 | K | 97 | Very high | 96.2 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.3 | -78.6 | -178.2 | 177.6 | -179.1 | 0 | 112.4 | L291 A292 E293 R299 | L291-K295 HydrophobicContact CD2-CD 3.84Å; L291-K295 WeakPolarHBondContact O-CB 3.18Å; L291-K295 WeakPolarHBondContact O-CG 3.29Å; L291-K295 PolarHBondContact O-N 3.37Å; A292-K295 PolarHBondContact O-N 2.87Å; E293-K295 VanDerWaalsContact C-N 3.31Å; E293-K295 PolarHBondContact O-N 3.34Å; K295-R299 WeakPolarHBondContact O-CG 3.44Å; K295-R299 PolarHBondContact O-N 3.35Å |
| 296 | A | 95.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 95.2 Ų | 95.2 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A292 E293 V294 Y298 R299 N300 | A292-A296 WeakPolarHBondContact O-CB 3.46Å; A292-A296 PolarHBondContact O-N 3.15Å; E293-A296 WeakPolarHBondContact O-CB 3.44Å; E293-A296 PolarHBondContact O-N 2.89Å; E293-A296 VanDerWaalsContact O-N 3.12Å; V294-A296 PolarHBondContact O-N 3.46Å; A296-Y298 VanDerWaalsContact C-N 3.35Å; A296-Y298 PolarHBondContact O-N 2.93Å; A296-R299 PolarHBondContact O-N 3.22Å; A296-N300 VanDerWaalsContact O-CG 3.28Å; A296-N300 PolarHBondContact O-N 3.05Å |
| 297 | N | 96.7 | Very high | 96.1 | Very high | 91 Ų | 91 | 94 Ų | 94 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.1 | -68.8 | -17.5 | 0 | 0 | 0 | 111.9 | E293 V294 N300 A301 | E293-N297 VanDerWaalsContact O-CG 3.32Å; E293-N297 PolarHBondContact O-N 3.4Å; V294-N297 PolarHBondContact O-N 3.32Å; N297-N300 PolarHBondContact O-N 2.88Å; N297-A301 WeakPolarHBondContact O-CB 3.37Å; N297-A301 PolarHBondContact O-N 3.44Å |
| 298 | Y | 95.7 | Very high | 96.1 | Very high | 172 Ų | 172 | 96.8 Ų | 96.8 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 175.4 | -174.9 | -94.4 | 0 | 0 | 0 | 112.3 | V294 A296 A301 T302 | V294-Y298 WeakPolarHBondContact O-CB 3.42Å; V294-Y298 PolarHBondContact O-N 2.88Å; A296-Y298 VanDerWaalsContact C-N 3.35Å; A296-Y298 PolarHBondContact O-N 2.93Å; Y298-A301 PolarHBondContact O-N 3.49Å; Y298-T302 WeakPolarHBondContact O-CB 3.39Å; Y298-T302 PolarHBondContact O-N 2.92Å; Y298-T302 PolarHBondContact O-OG1 3.37Å |
| 299 | R | 96.7 | Very high | 96 | Very high | 159 Ų | 159 | 92.4 Ų | 92.4 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | 174.2 | -76.5 | -175.6 | -171.9 | 112.9 | -5.6 | 111.5 | K295 A296 A301 T302 T303 | K295-R299 WeakPolarHBondContact O-CG 3.44Å; K295-R299 PolarHBondContact O-N 3.35Å; A296-R299 PolarHBondContact O-N 3.22Å; R299-A301 VanDerWaalsContact C-N 3.35Å; R299-A301 PolarHBondContact O-N 3.12Å; R299-T302 WeakPolarHBondContact O-CB 3.38Å; R299-T302 PolarHBondContact O-N 3.38Å; R299-T302 VanDerWaalsContact O-N 3.15Å; R299-T303 WeakPolarHBondContact O-CG2 3.35Å; R299-T303 PolarHBondContact O-N 3.38Å; R299-T303 PolarHBondContact O-OG1 2.91Å |
| 300 | N | 96 | Very high | 95.9 | Very high | 100 Ų | 100 | 93.3 Ų | 93.3 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.6 | -67.5 | -12.9 | 0 | 0 | 0 | 112.2 | A296 N297 T302 T303 S304 | A296-N300 VanDerWaalsContact O-CG 3.28Å; A296-N300 PolarHBondContact O-N 3.05Å; N297-N300 PolarHBondContact O-N 2.88Å; N300-T302 VanDerWaalsContact C-N 3.33Å; N300-T303 WeakPolarHBondContact CA-OG1 3.37Å; N300-T303 PolarHBondContact O-OG1 3.42Å; N300-S304 WeakPolarHBondContact O-CB 3.35Å; N300-S304 PolarHBondContact O-N 3.27Å |
| 301 | A | 96.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N297 Y298 R299 S304 L305 | N297-A301 WeakPolarHBondContact O-CB 3.37Å; N297-A301 PolarHBondContact O-N 3.44Å; Y298-A301 PolarHBondContact O-N 3.49Å; R299-A301 VanDerWaalsContact C-N 3.35Å; R299-A301 PolarHBondContact O-N 3.12Å; A301-S304 PolarHBondContact O-N 3.44Å; A301-L305 VanDerWaalsContact O-CB 3.32Å; A301-L305 WeakPolarHBondContact O-CB 3.36Å; A301-L305 PolarHBondContact O-N 3.5Å |
| 302 | T | 96.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 97.3 Ų | 97.3 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | Y298 R299 N300 L305 A306 | Y298-T302 WeakPolarHBondContact O-CB 3.39Å; Y298-T302 PolarHBondContact O-N 2.92Å; Y298-T302 PolarHBondContact O-OG1 3.37Å; R299-T302 WeakPolarHBondContact O-CB 3.38Å; R299-T302 PolarHBondContact O-N 3.38Å; R299-T302 VanDerWaalsContact O-N 3.15Å; N300-T302 VanDerWaalsContact C-N 3.33Å; T302-L305 PolarHBondContact O-N 3.01Å; T302-A306 PolarHBondContact O-N 2.88Å |
| 303 | T | 95.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | R299 N300 L305 A306 E307 | R299-T303 WeakPolarHBondContact O-CG2 3.35Å; R299-T303 PolarHBondContact O-N 3.38Å; R299-T303 PolarHBondContact O-OG1 2.91Å; N300-T303 WeakPolarHBondContact CA-OG1 3.37Å; N300-T303 PolarHBondContact O-OG1 3.42Å; T303-L305 VanDerWaalsContact C-N 3.29Å; T303-L305 PolarHBondContact O-N 2.93Å; T303-A306 PolarHBondContact O-N 2.94Å; T303-E307 WeakPolarHBondContact O-CG 3.41Å; T303-E307 PolarHBondContact O-N 3.32Å |
| 304 | S | 94.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 98.5 Ų | 98.5 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 175.6 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | N300 A301 K308 | N300-S304 WeakPolarHBondContact O-CB 3.35Å; N300-S304 PolarHBondContact O-N 3.27Å; A301-S304 PolarHBondContact O-N 3.44Å; S304-K308 WeakPolarHBondContact O-CG 3.29Å; S304-K308 PolarHBondContact O-N 2.89Å |
| 305 | L | 95.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 98.6 Ų | 98.6 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 174.4 | -175.8 | 64.2 | 0 | 0 | 0 | 111.6 | A301 T302 T303 K308 S309 | A301-L305 VanDerWaalsContact O-CB 3.32Å; A301-L305 WeakPolarHBondContact O-CB 3.36Å; A301-L305 PolarHBondContact O-N 3.5Å; T302-L305 PolarHBondContact O-N 3.01Å; T303-L305 VanDerWaalsContact C-N 3.29Å; T303-L305 PolarHBondContact O-N 2.93Å; L305-K308 PolarHBondContact O-N 2.96Å; L305-S309 WeakPolarHBondContact O-CB 3.48Å; L305-S309 PolarHBondContact O-N 2.82Å |
| 306 | A | 95.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 97.3 Ų | 97.3 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T302 T303 K308 S309 N310 | T302-A306 PolarHBondContact O-N 2.88Å; T303-A306 PolarHBondContact O-N 2.94Å; A306-K308 PolarHBondContact O-N 2.92Å; A306-S309 WeakPolarHBondContact O-CB 3.4Å; A306-S309 PolarHBondContact O-N 2.88Å; A306-N310 VanDerWaalsContact O-CG 3.31Å; A306-N310 PolarHBondContact O-N 2.8Å |
| 307 | E | 95.5 | Very high | 95.5 | Very high | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 174.2 | -72.9 | 173.1 | -169.6 | 0 | 0 | 112.4 | T303 S309 N310 K311 | T303-E307 WeakPolarHBondContact O-CG 3.41Å; T303-E307 PolarHBondContact O-N 3.32Å; E307-S309 VanDerWaalsContact C-N 3.35Å; E307-N310 PolarHBondContact O-N 3.13Å; E307-K311 WeakPolarHBondContact O-CG 3.29Å; E307-K311 PolarHBondContact O-N 3.3Å |
| 308 | K | 95.2 | Very high | 95.4 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -38.5 | 175.7 | -74 | 179.9 | -175 | 177.1 | 0 | 111.8 | S304 L305 A306 K311 L312 | S304-K308 WeakPolarHBondContact O-CG 3.29Å; S304-K308 PolarHBondContact O-N 2.89Å; L305-K308 PolarHBondContact O-N 2.96Å; A306-K308 PolarHBondContact O-N 2.92Å; K308-K311 PolarHBondContact O-N 2.79Å; K308-L312 WeakPolarHBondContact O-CB 3.48Å; K308-L312 PolarHBondContact O-N 3.43Å |
| 309 | S | 95.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.3 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | L305 A306 E307 L312 E313 | L305-S309 WeakPolarHBondContact O-CB 3.48Å; L305-S309 PolarHBondContact O-N 2.82Å; A306-S309 WeakPolarHBondContact O-CB 3.4Å; A306-S309 PolarHBondContact O-N 2.88Å; E307-S309 VanDerWaalsContact C-N 3.35Å; S309-L312 PolarHBondContact O-N 2.9Å; S309-E313 PolarHBondContact O-N 2.92Å |
| 310 | N | 95 | Very high | 95.1 | Very high | 114 Ų | 114 | 95.9 Ų | 95.9 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 177.5 | -70.5 | -9.9 | 0 | 0 | 0 | 111.8 | A306 E307 L312 E313 E314 | A306-N310 VanDerWaalsContact O-CG 3.31Å; A306-N310 PolarHBondContact O-N 2.8Å; E307-N310 PolarHBondContact O-N 3.13Å; N310-L312 VanDerWaalsContact C-N 3.28Å; N310-L312 PolarHBondContact O-N 3.35Å; N310-E313 PolarHBondContact O-N 3.48Å; N310-E314 WeakPolarHBondContact O-CB 3.49Å; N310-E314 PolarHBondContact O-N 2.86Å |
| 311 | K | 95.6 | Very high | 94.8 | Very high | 128 Ų | 128 | 97.3 Ų | 97.3 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -36.3 | 174.3 | -72.4 | 174.9 | -176.6 | 176.9 | 0 | 112.3 | E307 K308 E314 V315 | E307-K311 WeakPolarHBondContact O-CG 3.29Å; E307-K311 PolarHBondContact O-N 3.3Å; K308-K311 PolarHBondContact O-N 2.79Å; K311-E314 PolarHBondContact O-N 3.48Å; K311-V315 WeakPolarHBondContact O-CB 3.32Å; K311-V315 VanDerWaalsContact O-CG2 3.27Å; K311-V315 WeakPolarHBondContact O-CG2 3.42Å; K311-V315 PolarHBondContact O-N 3.25Å |
| 312 | L | 95.5 | Very high | 94.3 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 177 | -166.8 | 125.4 | 0 | 0 | 0 | 111.1 | K308 S309 N310 V315 K316 | K308-L312 WeakPolarHBondContact O-CB 3.48Å; K308-L312 PolarHBondContact O-N 3.43Å; S309-L312 PolarHBondContact O-N 2.9Å; N310-L312 VanDerWaalsContact C-N 3.28Å; N310-L312 PolarHBondContact O-N 3.35Å; L312-V315 PolarHBondContact O-N 3.19Å; L312-K316 VanDerWaalsContact O-CB 3.29Å; L312-K316 WeakPolarHBondContact O-CB 3.46Å; L312-K316 PolarHBondContact O-N 2.92Å |
| 313 | E | 94.9 | Very high | 93.8 | Very high | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 173.6 | -159.7 | 63.5 | -152.7 | 0 | 0 | 111.4 | S309 N310 K316 E317 | S309-E313 PolarHBondContact O-N 2.92Å; N310-E313 PolarHBondContact O-N 3.48Å; E313-K316 CarbonylContact O-C 3.57Å; E313-K316 WeakPolarHBondContact O-CB 3.32Å; E313-K316 PolarHBondContact O-N 3.41Å; E313-K316 IonicContact OE1-NZ 2.69Å; E313-K316 PolarHBondContact OE1-NZ 3.21Å; E313-K316 IonicContact OE2-NZ 3.49Å; E313-E317 WeakPolarHBondContact O-CB 3.48Å; E313-E317 PolarHBondContact O-N 2.86Å |
| 314 | E | 95.7 | Very high | 93.3 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.5 | -174.3 | -177.3 | 178 | 0 | 0 | 111.8 | N310 K311 K316 E317 Q318 | N310-E314 WeakPolarHBondContact O-CB 3.49Å; N310-E314 PolarHBondContact O-N 2.86Å; K311-E314 PolarHBondContact O-N 3.48Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.41Å; E314-E317 PolarHBondContact O-N 3.28Å; E314-Q318 VanDerWaalsContact O-CG 3.32Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.43Å |
| 315 | V | 96.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -37.3 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | K311 L312 L319 | K311-V315 WeakPolarHBondContact O-CB 3.32Å; K311-V315 VanDerWaalsContact O-CG2 3.27Å; K311-V315 WeakPolarHBondContact O-CG2 3.42Å; K311-V315 PolarHBondContact O-N 3.25Å; L312-V315 PolarHBondContact O-N 3.19Å; V315-L319 WeakPolarHBondContact O-CB 3.41Å; V315-L319 PolarHBondContact O-N 3Å |
| 316 | K | 95.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 105.2 Ų | 105.2 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 175.8 | 179.8 | -176.7 | 155.5 | -137.7 | 0 | 111.4 | L312 E313 E314 L319 E320 | L312-K316 VanDerWaalsContact O-CB 3.29Å; L312-K316 WeakPolarHBondContact O-CB 3.46Å; L312-K316 PolarHBondContact O-N 2.92Å; E313-K316 CarbonylContact O-C 3.57Å; E313-K316 WeakPolarHBondContact O-CB 3.32Å; E313-K316 PolarHBondContact O-N 3.41Å; E313-K316 IonicContact OE1-NZ 2.69Å; E313-K316 PolarHBondContact OE1-NZ 3.21Å; E313-K316 IonicContact OE2-NZ 3.49Å; E314-K316 VanDerWaalsContact C-N 3.28Å; E314-K316 PolarHBondContact O-N 3.41Å; K316-L319 WeakPolarHBondContact O-CB 3.44Å; K316-L319 PolarHBondContact O-N 3.05Å; K316-E320 VanDerWaalsContact CE-OE1 3.29Å; K316-E320 WeakPolarHBondContact CE-OE1 3.22Å; K316-E320 WeakPolarHBondContact O-CG 3.19Å; K316-E320 PolarHBondContact O-N 2.89Å |
| 317 | E | 93.8 | Very high | 91.1 | Very high | 133 Ų | 133 | 106.8 Ų | 106.8 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 175.1 | -174.1 | 175.1 | -172.6 | 0 | 0 | 111.2 | E313 E314 L319 E320 E321 | E313-E317 WeakPolarHBondContact O-CB 3.48Å; E313-E317 PolarHBondContact O-N 2.86Å; E314-E317 PolarHBondContact O-N 3.28Å; E317-L319 VanDerWaalsContact C-N 3.27Å; E317-L319 PolarHBondContact O-N 2.93Å; E317-E320 PolarHBondContact O-N 2.92Å; E317-E320 VanDerWaalsContact O-N 3.13Å; E317-E321 PolarHBondContact O-N 3.3Å |
| 318 | Q | 94.5 | Very high | 90 | Very high | 99 Ų | 99 | 107.7 Ų | 107.7 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -37.2 | 173.6 | -71.4 | 176.5 | 16.4 | 0 | 0 | 112.2 | E314 R322 | E314-Q318 VanDerWaalsContact O-CG 3.32Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.43Å; Q318-R322 WeakPolarHBondContact O-CB 3.43Å; Q318-R322 WeakPolarHBondContact O-CG 3.36Å; Q318-R322 PolarHBondContact O-N 2.81Å |
| 319 | L | 92.6 | Very high | 89.2 | Confident | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 174.1 | -171.5 | 101.8 | 0 | 0 | 0 | 110.5 | V315 K316 E317 R322 M323 | V315-L319 WeakPolarHBondContact O-CB 3.41Å; V315-L319 PolarHBondContact O-N 3Å; K316-L319 WeakPolarHBondContact O-CB 3.44Å; K316-L319 PolarHBondContact O-N 3.05Å; E317-L319 VanDerWaalsContact C-N 3.27Å; E317-L319 PolarHBondContact O-N 2.93Å; L319-R322 PolarHBondContact O-N 3.16Å; L319-M323 HydrophobicContact CD2-CE 3.77Å; L319-M323 HydrophobicContact CD2-SD 4.11Å; L319-M323 HydrophobicContact CG-CE 4.25Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 HydrophobicContact CG-SD 4.45Å; L319-M323 WeakPolarHBondContact O-CB 3.42Å; L319-M323 VanDerWaalsContact O-CG 3.22Å; L319-M323 WeakPolarHBondContact O-CG 3.26Å; L319-M323 PolarHBondContact O-N 2.79Å |
| 320 | E | 92.7 | Very high | 88.4 | Confident | 99 Ų | 99 | 101.3 Ų | 101.3 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.6 | -74.9 | 179.5 | -170.6 | 0 | 0 | 112 | K316 E317 M323 A324 | K316-E320 VanDerWaalsContact CE-OE1 3.29Å; K316-E320 WeakPolarHBondContact CE-OE1 3.22Å; K316-E320 WeakPolarHBondContact O-CG 3.19Å; K316-E320 PolarHBondContact O-N 2.89Å; E317-E320 PolarHBondContact O-N 2.92Å; E317-E320 VanDerWaalsContact O-N 3.13Å; E320-M323 HydrophobicContact CB-CE 4.36Å; E320-M323 HydrophobicContact CG-CE 3.82Å; E320-M323 PolarHBondContact O-N 2.94Å; E320-A324 WeakPolarHBondContact O-CB 3.41Å; E320-A324 PolarHBondContact O-N 3.32Å |
| 321 | E | 89.5 | Confident | 87.7 | Confident | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 174.8 | -171.4 | -175.7 | -173.6 | 0 | 0 | 111.7 | E317 M323 A324 C325 | E317-E321 PolarHBondContact O-N 3.3Å; E321-M323 VanDerWaalsContact C-N 3.35Å; E321-A324 PolarHBondContact O-N 2.8Å; E321-C325 WeakPolarHBondContact O-CB 3.32Å; E321-C325 PolarHBondContact O-N 2.73Å; E321-C325 PolarHBondContact O-SG 2.87Å |
| 322 | R | 87.3 | Confident | 87 | Confident | 194 Ų | 194 | 98.9 Ų | 98.9 | 73% | 0.732 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 173.7 | -75.6 | -112.5 | -177.7 | 137.4 | 2 | 111.7 | Q318 L319 C325 L326 | Q318-R322 WeakPolarHBondContact O-CB 3.43Å; Q318-R322 WeakPolarHBondContact O-CG 3.36Å; Q318-R322 PolarHBondContact O-N 2.81Å; L319-R322 PolarHBondContact O-N 3.16Å; R322-C325 PolarHBondContact O-N 3.26Å; R322-L326 WeakPolarHBondContact O-CB 3.36Å; R322-L326 VanDerWaalsContact O-CG 3.26Å; R322-L326 WeakPolarHBondContact O-CG 3.47Å; R322-L326 PolarHBondContact O-N 3.37Å |
| 323 | M | 85.6 | Confident | 86.5 | Confident | 95 Ų | 95 | 95.8 Ų | 95.8 | 47% | 0.468 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.2 | -77.4 | -170.7 | -55.9 | 0 | 0 | 110.8 | L319 E320 E321 L326 A327 | L319-M323 HydrophobicContact CD2-CE 3.77Å; L319-M323 HydrophobicContact CD2-SD 4.11Å; L319-M323 HydrophobicContact CG-CE 4.25Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 HydrophobicContact CG-SD 4.45Å; L319-M323 WeakPolarHBondContact O-CB 3.42Å; L319-M323 VanDerWaalsContact O-CG 3.22Å; L319-M323 WeakPolarHBondContact O-CG 3.26Å; L319-M323 PolarHBondContact O-N 2.79Å; E320-M323 HydrophobicContact CB-CE 4.36Å; E320-M323 HydrophobicContact CG-CE 3.82Å; E320-M323 PolarHBondContact O-N 2.94Å; E321-M323 VanDerWaalsContact C-N 3.35Å; M323-L326 PolarHBondContact O-N 3.33Å; M323-A327 WeakPolarHBondContact O-CB 3.32Å; M323-A327 PolarHBondContact O-N 2.93Å |
| 324 | A | 85 | Confident | 86 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E320 E321 L326 A327 D328 | E320-A324 WeakPolarHBondContact O-CB 3.41Å; E320-A324 PolarHBondContact O-N 3.32Å; E321-A324 PolarHBondContact O-N 2.8Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 3.34Å; A324-A327 PolarHBondContact O-N 3.41Å; A324-A327 VanDerWaalsContact O-N 3.16Å; A324-D328 WeakPolarHBondContact O-CB 3.37Å; A324-D328 PolarHBondContact O-N 2.78Å |
| 325 | C | 80 | Confident | 85.7 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 176.7 | -72.6 | 0 | 0 | 0 | 0 | 113.3 | E321 R322 P331 | E321-C325 WeakPolarHBondContact O-CB 3.32Å; E321-C325 PolarHBondContact O-N 2.73Å; E321-C325 PolarHBondContact O-SG 2.87Å; R322-C325 PolarHBondContact O-N 3.26Å; C325-P331 WeakPolarHBondContact O-CD 3.31Å |
| 326 | L | 78.4 | Confident | 85.4 | Confident | 128 Ų | 128 | 101 Ų | 101 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.5 | -39.1 | 174.5 | -72.4 | 171.5 | 0 | 0 | 0 | 111.5 | R322 M323 A324 G329 | R322-L326 WeakPolarHBondContact O-CB 3.36Å; R322-L326 VanDerWaalsContact O-CG 3.26Å; R322-L326 WeakPolarHBondContact O-CG 3.47Å; R322-L326 PolarHBondContact O-N 3.37Å; M323-L326 PolarHBondContact O-N 3.33Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 3.34Å; L326-G329 PolarHBondContact O-N 2.96Å |
| 327 | A | 80.8 | Confident | 85.2 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 69% | 0.686 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.8 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M323 A324 G329 | M323-A327 WeakPolarHBondContact O-CB 3.32Å; M323-A327 PolarHBondContact O-N 2.93Å; A324-A327 PolarHBondContact O-N 3.41Å; A324-A327 VanDerWaalsContact O-N 3.16Å; A327-G329 PolarHBondContact O-N 2.83Å |
| 328 | D | 71.2 | Confident | 85.2 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.6 | 176.6 | -86.2 | -14 | 0 | 0 | 0 | 112.8 | A324 A330 | A324-D328 WeakPolarHBondContact O-CB 3.37Å; A324-D328 PolarHBondContact O-N 2.78Å; D328-A330 PolarHBondContact O-N 3.36Å |
| 329 | G | 79.3 | Confident | 85.2 | Confident | 25 Ų | 25 | 96.5 Ų | 96.5 | 26% | 0.258 | 53% | 0.529 | S | S | . | . | trans | 63.2 | -3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L326 A327 L332 A333 | L326-G329 PolarHBondContact O-N 2.96Å; A327-G329 PolarHBondContact O-N 2.83Å; G329-L332 CarbonylContact O-C 3.52Å; G329-L332 WeakPolarHBondContact O-CB 3.33Å; G329-L332 PolarHBondContact O-N 3.21Å; G329-L332 VanDerWaalsContact O-N 3.11Å; G329-A333 WeakPolarHBondContact O-CB 3.25Å; G329-A333 PolarHBondContact O-N 3.08Å | ||
| 330 | A | 78.7 | Confident | 85.3 | Confident | 50 Ų | 50 | 96.9 Ų | 96.9 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D328 A333 K334 | D328-A330 PolarHBondContact O-N 3.36Å; A330-A333 PolarHBondContact O-N 2.91Å; A330-K334 WeakPolarHBondContact O-CB 3.18Å; A330-K334 WeakPolarHBondContact O-CG 3.36Å; A330-K334 PolarHBondContact O-N 3.2Å |
| 331 | P | 78.7 | Confident | 85.4 | Confident | 61 Ų | 61 | 95 Ų | 95 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 174.2 | 22.8 | -30.9 | 0 | 0 | 0 | 111.7 | C325 A333 K334 V335 | C325-P331 WeakPolarHBondContact O-CD 3.31Å; P331-A333 VanDerWaalsContact C-N 3.33Å; P331-A333 PolarHBondContact O-N 2.82Å; P331-K334 PolarHBondContact O-N 3.3Å; P331-V335 WeakPolarHBondContact O-CG2 3.33Å; P331-V335 PolarHBondContact O-N 3.33Å |
| 332 | L | 81.4 | Confident | 85.7 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 176.5 | -174.7 | 65.5 | 0 | 0 | 0 | 111.6 | G329 V335 K336 | G329-L332 CarbonylContact O-C 3.52Å; G329-L332 WeakPolarHBondContact O-CB 3.33Å; G329-L332 PolarHBondContact O-N 3.21Å; G329-L332 VanDerWaalsContact O-N 3.11Å; L332-V335 PolarHBondContact O-N 2.88Å; L332-K336 VanDerWaalsContact O-CB 3.25Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.82Å |
| 333 | A | 84.2 | Confident | 86.2 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G329 A330 P331 K336 Q337 | G329-A333 WeakPolarHBondContact O-CB 3.25Å; G329-A333 PolarHBondContact O-N 3.08Å; A330-A333 PolarHBondContact O-N 2.91Å; P331-A333 VanDerWaalsContact C-N 3.33Å; P331-A333 PolarHBondContact O-N 2.82Å; A333-K336 PolarHBondContact O-N 3.42Å; A333-Q337 VanDerWaalsContact O-CB 3.31Å; A333-Q337 WeakPolarHBondContact O-CB 3.46Å; A333-Q337 PolarHBondContact O-N 3.46Å |
| 334 | K | 86.1 | Confident | 86.6 | Confident | 160 Ų | 160 | 93.3 Ų | 93.3 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 172.8 | -76.7 | 179.4 | -178.8 | 178.6 | 0 | 111.6 | A330 P331 Q337 A338 | A330-K334 WeakPolarHBondContact O-CB 3.18Å; A330-K334 WeakPolarHBondContact O-CG 3.36Å; A330-K334 PolarHBondContact O-N 3.2Å; P331-K334 PolarHBondContact O-N 3.3Å; K334-Q337 PolarHBondContact O-N 3.43Å; K334-A338 WeakPolarHBondContact O-CB 3.33Å; K334-A338 PolarHBondContact O-N 3.36Å |
| 335 | V | 88.3 | Confident | 87.2 | Confident | 83 Ų | 83 | 94.8 Ų | 94.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | P331 L332 Q337 A338 I339 | P331-V335 WeakPolarHBondContact O-CG2 3.33Å; P331-V335 PolarHBondContact O-N 3.33Å; L332-V335 PolarHBondContact O-N 2.88Å; V335-Q337 VanDerWaalsContact C-N 3.32Å; V335-Q337 PolarHBondContact O-N 3.11Å; V335-A338 PolarHBondContact O-N 3.01Å; V335-I339 HydrophobicContact CG1-CD1 3.88Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.49Å; V335-I339 PolarHBondContact O-N 2.89Å |
| 336 | K | 90.3 | Very high | 87.8 | Confident | 159 Ų | 159 | 97.1 Ų | 97.1 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 177.3 | -172.9 | 177.4 | -179.9 | 179.6 | 0 | 112.2 | L332 A333 I339 K340 | L332-K336 VanDerWaalsContact O-CB 3.25Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.82Å; A333-K336 PolarHBondContact O-N 3.42Å; K336-I339 PolarHBondContact O-N 3.3Å; K336-K340 PolarHBondContact O-N 2.73Å |
| 337 | Q | 91.6 | Very high | 88.6 | Confident | 89 Ų | 89 | 96.6 Ų | 96.6 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 175.9 | -177.3 | 56.3 | 33.2 | 0 | 0 | 111.1 | A333 K334 V335 I339 K340 D341 | A333-Q337 VanDerWaalsContact O-CB 3.31Å; A333-Q337 WeakPolarHBondContact O-CB 3.46Å; A333-Q337 PolarHBondContact O-N 3.46Å; K334-Q337 PolarHBondContact O-N 3.43Å; V335-Q337 VanDerWaalsContact C-N 3.32Å; V335-Q337 PolarHBondContact O-N 3.11Å; Q337-I339 VanDerWaalsContact C-N 3.3Å; Q337-I339 PolarHBondContact O-N 3.34Å; Q337-K340 WeakPolarHBondContact O-CA 3.47Å; Q337-K340 WeakPolarHBondContact O-CB 3.32Å; Q337-K340 PolarHBondContact O-N 2.93Å; Q337-D341 VanDerWaalsContact NE2-CG 3.32Å; Q337-D341 PolarHBondContact NE2-OD1 2.89Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.08Å; Q337-D341 PolarHBondContact NE2-OD2 3.31Å; Q337-D341 PolarHBondContact O-N 3.01Å |
| 338 | A | 93.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 96.2 Ų | 96.2 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K334 V335 K340 D341 L342 | K334-A338 WeakPolarHBondContact O-CB 3.33Å; K334-A338 PolarHBondContact O-N 3.36Å; V335-A338 PolarHBondContact O-N 3.01Å; A338-K340 VanDerWaalsContact C-N 3.32Å; A338-K340 PolarHBondContact O-N 3.5Å; A338-D341 PolarHBondContact O-N 2.96Å; A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 3.25Å |
| 339 | I | 94.4 | Very high | 90.4 | Very high | 83 Ų | 83 | 96.3 Ų | 96.3 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.6 | -69.8 | 166.8 | 0 | 0 | 0 | 111.2 | V335 K336 Q337 K343 | V335-I339 HydrophobicContact CG1-CD1 3.88Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.49Å; V335-I339 PolarHBondContact O-N 2.89Å; K336-I339 PolarHBondContact O-N 3.3Å; Q337-I339 VanDerWaalsContact C-N 3.3Å; Q337-I339 PolarHBondContact O-N 3.34Å; I339-K343 HydrophobicContact CG2-CD 4.4Å; I339-K343 WeakPolarHBondContact O-CB 3.38Å; I339-K343 WeakPolarHBondContact O-CG 3.47Å; I339-K343 PolarHBondContact O-N 3.43Å |
| 340 | K | 94.9 | Very high | 91.1 | Very high | 107 Ų | 107 | 99.3 Ų | 99.3 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.6 | -172 | -179.3 | -179.4 | 179.2 | 0 | 111.8 | K336 Q337 A338 K343 R344 | K336-K340 PolarHBondContact O-N 2.73Å; Q337-K340 WeakPolarHBondContact O-CA 3.47Å; Q337-K340 WeakPolarHBondContact O-CB 3.32Å; Q337-K340 PolarHBondContact O-N 2.93Å; A338-K340 VanDerWaalsContact C-N 3.32Å; A338-K340 PolarHBondContact O-N 3.5Å; K340-K343 PolarHBondContact O-N 3Å; K340-R344 PolarHBondContact O-N 3.45Å; K340-R344 VanDerWaalsContact O-N 3.14Å |
| 341 | D | 94.6 | Very high | 91.9 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 33% | 0.326 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.6 | -42.9 | 178.9 | -64.1 | -26.8 | 0 | 0 | 0 | 110.9 | Q337 A338 K343 R344 D345 | Q337-D341 VanDerWaalsContact NE2-CG 3.32Å; Q337-D341 PolarHBondContact NE2-OD1 2.89Å; Q337-D341 VanDerWaalsContact NE2-OD1 3.08Å; Q337-D341 PolarHBondContact NE2-OD2 3.31Å; Q337-D341 PolarHBondContact O-N 3.01Å; A338-D341 PolarHBondContact O-N 2.96Å; D341-K343 VanDerWaalsContact C-N 3.26Å; D341-K343 PolarHBondContact O-N 2.91Å; D341-R344 WeakPolarHBondContact O-CA 3.46Å; D341-R344 WeakPolarHBondContact O-CB 3.44Å; D341-R344 PolarHBondContact O-N 2.91Å; D341-R344 IonicContact OD1-NH1 3.75Å; D341-R344 PolarHBondContact OD1-NH1 3.21Å; D341-D345 PolarHBondContact O-N 3.14Å |
| 342 | L | 95.7 | Very high | 92.6 | Very high | 116 Ų | 116 | 103.3 Ų | 103.3 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.3 | -39 | 170.2 | -75.7 | 174.7 | 0 | 0 | 0 | 112.6 | A338 R344 D345 L346 | A338-L342 WeakPolarHBondContact O-CB 3.35Å; A338-L342 WeakPolarHBondContact O-CG 3.39Å; A338-L342 PolarHBondContact O-N 3.25Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-D345 PolarHBondContact O-N 2.95Å; L342-L346 WeakPolarHBondContact O-CB 3.28Å; L342-L346 PolarHBondContact O-N 3.48Å |
| 343 | K | 96.1 | Very high | 93.2 | Very high | 141 Ų | 141 | 101.2 Ų | 101.2 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 174.7 | -78.5 | 179.3 | 178 | -173.1 | 0 | 112.6 | I339 K340 D341 L347 | I339-K343 HydrophobicContact CG2-CD 4.4Å; I339-K343 WeakPolarHBondContact O-CB 3.38Å; I339-K343 WeakPolarHBondContact O-CG 3.47Å; I339-K343 PolarHBondContact O-N 3.43Å; K340-K343 PolarHBondContact O-N 3Å; D341-K343 VanDerWaalsContact C-N 3.26Å; D341-K343 PolarHBondContact O-N 2.91Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.9Å |
| 344 | R | 95.7 | Very high | 93.8 | Very high | 126 Ų | 126 | 101.8 Ų | 101.8 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 174.1 | -77.1 | -170.5 | 178.8 | 109.1 | -11.3 | 111.3 | K340 D341 L342 L346 L347 V348 | K340-R344 PolarHBondContact O-N 3.45Å; K340-R344 VanDerWaalsContact O-N 3.14Å; D341-R344 WeakPolarHBondContact O-CA 3.46Å; D341-R344 WeakPolarHBondContact O-CB 3.44Å; D341-R344 PolarHBondContact O-N 2.91Å; D341-R344 IonicContact OD1-NH1 3.75Å; D341-R344 PolarHBondContact OD1-NH1 3.21Å; L342-R344 VanDerWaalsContact C-N 3.34Å; R344-L346 PolarHBondContact O-N 2.8Å; R344-L347 WeakPolarHBondContact O-CB 3.41Å; R344-L347 PolarHBondContact O-N 3.49Å; R344-L347 VanDerWaalsContact O-N 3.12Å; R344-V348 WeakPolarHBondContact O-CG2 3.42Å; R344-V348 PolarHBondContact O-N 3.4Å |
| 345 | D | 95.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 178.3 | -69.1 | -10.1 | 0 | 0 | 0 | 110.8 | D341 L342 L347 V348 F349 | D341-D345 PolarHBondContact O-N 3.14Å; L342-D345 PolarHBondContact O-N 2.95Å; D345-L347 PolarHBondContact O-N 3.35Å; D345-V348 PolarHBondContact O-N 3.12Å; D345-F349 HydrophobicContact CB-CD2 4.46Å; D345-F349 HydrophobicContact CB-CE2 4.17Å; D345-F349 WeakPolarHBondContact O-CB 3.45Å; D345-F349 WeakPolarHBondContact O-CD2 3.31Å; D345-F349 VanDerWaalsContact O-CG 3.31Å; D345-F349 WeakPolarHBondContact O-CG 3.16Å; D345-F349 PolarHBondContact O-N 2.95Å |
| 346 | L | 94 | Very high | 94.4 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 175.5 | -150.3 | 159.5 | 0 | 0 | 0 | 111.9 | L342 R344 V348 F349 D350 | L342-L346 WeakPolarHBondContact O-CB 3.28Å; L342-L346 PolarHBondContact O-N 3.48Å; R344-L346 PolarHBondContact O-N 2.8Å; L346-V348 PolarHBondContact O-N 3.21Å; L346-F349 PolarHBondContact O-N 3.44Å; L346-D350 WeakPolarHBondContact O-CB 3.39Å; L346-D350 PolarHBondContact O-N 2.99Å |
| 347 | L | 94.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 61% | 0.613 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 173.8 | -71.4 | 173 | 0 | 0 | 0 | 112.3 | K343 R344 D345 D350 V351 | K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.9Å; R344-L347 WeakPolarHBondContact O-CB 3.41Å; R344-L347 PolarHBondContact O-N 3.49Å; R344-L347 VanDerWaalsContact O-N 3.12Å; D345-L347 PolarHBondContact O-N 3.35Å; L347-D350 PolarHBondContact O-N 3.31Å; L347-V351 WeakPolarHBondContact O-CG2 3.37Å; L347-V351 PolarHBondContact O-N 3.42Å |
| 348 | V | 94.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 94.5 Ų | 94.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | R344 D345 L346 D350 V351 Q352 | R344-V348 WeakPolarHBondContact O-CG2 3.42Å; R344-V348 PolarHBondContact O-N 3.4Å; D345-V348 PolarHBondContact O-N 3.12Å; L346-V348 PolarHBondContact O-N 3.21Å; V348-D350 VanDerWaalsContact C-N 3.29Å; V348-D350 PolarHBondContact O-N 3.05Å; V348-V351 PolarHBondContact O-N 3.35Å; V348-Q352 HydrophobicContact CG1-CG 4.45Å; V348-Q352 VanDerWaalsContact O-CG 3.32Å; V348-Q352 WeakPolarHBondContact O-CG 3.47Å; V348-Q352 PolarHBondContact O-N 2.88Å |
| 349 | F | 95 | Very high | 94.5 | Very high | 129 Ų | 129 | 98.9 Ų | 98.9 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -35.3 | 176 | -69.9 | -41.5 | 0 | 0 | 0 | 112.2 | D345 L346 Q352 L353 | D345-F349 HydrophobicContact CB-CD2 4.46Å; D345-F349 HydrophobicContact CB-CE2 4.17Å; D345-F349 WeakPolarHBondContact O-CB 3.45Å; D345-F349 WeakPolarHBondContact O-CD2 3.31Å; D345-F349 VanDerWaalsContact O-CG 3.31Å; D345-F349 WeakPolarHBondContact O-CG 3.16Å; D345-F349 PolarHBondContact O-N 2.95Å; L346-F349 PolarHBondContact O-N 3.44Å; F349-Q352 PolarHBondContact O-N 3.32Å; F349-L353 VanDerWaalsContact O-CB 3.26Å; F349-L353 WeakPolarHBondContact O-CB 3.29Å; F349-L353 PolarHBondContact O-N 2.89Å |
| 350 | D | 95.5 | Very high | 94.4 | Very high | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -40.1 | 176.8 | -157.2 | 30.5 | 0 | 0 | 0 | 111.9 | L346 L347 V348 L353 T354 | L346-D350 WeakPolarHBondContact O-CB 3.39Å; L346-D350 PolarHBondContact O-N 2.99Å; L347-D350 PolarHBondContact O-N 3.31Å; V348-D350 VanDerWaalsContact C-N 3.29Å; V348-D350 PolarHBondContact O-N 3.05Å; D350-L353 PolarHBondContact O-N 3.32Å; D350-T354 WeakPolarHBondContact O-CG2 3.4Å; D350-T354 PolarHBondContact O-N 3.1Å; D350-T354 PolarHBondContact O-OG1 2.9Å; D350-T354 VanDerWaalsContact O-OG1 3.1Å |
| 351 | V | 93.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 100.4 Ų | 100.4 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 171.5 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L347 V348 L353 T354 V355 | L347-V351 WeakPolarHBondContact O-CG2 3.37Å; L347-V351 PolarHBondContact O-N 3.42Å; V348-V351 PolarHBondContact O-N 3.35Å; V351-L353 VanDerWaalsContact C-N 3.34Å; V351-T354 WeakPolarHBondContact CA-OG1 3.42Å; V351-T354 PolarHBondContact O-N 2.9Å; V351-T354 PolarHBondContact O-OG1 3.35Å; V351-V355 VanDerWaalsContact O-CG2 3.29Å; V351-V355 WeakPolarHBondContact O-CG2 3.32Å; V351-V355 PolarHBondContact O-N 2.89Å |
| 352 | Q | 95 | Very high | 94.1 | Very high | 104 Ų | 104 | 103.5 Ų | 103.5 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.5 | -72.1 | 177.3 | -2.1 | 0 | 0 | 111.4 | V348 F349 V355 T356 | V348-Q352 HydrophobicContact CG1-CG 4.45Å; V348-Q352 VanDerWaalsContact O-CG 3.32Å; V348-Q352 WeakPolarHBondContact O-CG 3.47Å; V348-Q352 PolarHBondContact O-N 2.88Å; F349-Q352 PolarHBondContact O-N 3.32Å; Q352-V355 PolarHBondContact O-N 2.85Å; Q352-T356 WeakPolarHBondContact O-CB 3.49Å; Q352-T356 VanDerWaalsContact O-CG2 3.31Å; Q352-T356 WeakPolarHBondContact O-CG2 3.31Å; Q352-T356 PolarHBondContact O-N 2.87Å; Q352-T356 PolarHBondContact O-OG1 2.89Å |
| 353 | L | 94.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 100.2 Ų | 100.2 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 175.8 | -174.4 | 69.1 | 0 | 0 | 0 | 111.1 | F349 D350 V351 V355 T356 Q357 | F349-L353 VanDerWaalsContact O-CB 3.26Å; F349-L353 WeakPolarHBondContact O-CB 3.29Å; F349-L353 PolarHBondContact O-N 2.89Å; D350-L353 PolarHBondContact O-N 3.32Å; V351-L353 VanDerWaalsContact C-N 3.34Å; L353-V355 PolarHBondContact O-N 2.78Å; L353-T356 VanDerWaalsContact CA-OG1 3.31Å; L353-T356 WeakPolarHBondContact CA-OG1 3.42Å; L353-T356 PolarHBondContact O-N 3.46Å; L353-T356 PolarHBondContact O-OG1 3.36Å; L353-Q357 WeakPolarHBondContact O-CB 3.38Å; L353-Q357 VanDerWaalsContact O-CG 3.22Å; L353-Q357 WeakPolarHBondContact O-CG 3.35Å; L353-Q357 PolarHBondContact O-N 3.42Å |
| 354 | T | 95.3 | Very high | 93.5 | Very high | 70 Ų | 70 | 98.4 Ų | 98.4 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.6 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | D350 V351 Q357 Q358 | D350-T354 WeakPolarHBondContact O-CG2 3.4Å; D350-T354 PolarHBondContact O-N 3.1Å; D350-T354 PolarHBondContact O-OG1 2.9Å; D350-T354 VanDerWaalsContact O-OG1 3.1Å; V351-T354 WeakPolarHBondContact CA-OG1 3.42Å; V351-T354 PolarHBondContact O-N 2.9Å; V351-T354 PolarHBondContact O-OG1 3.35Å; T354-Q357 PolarHBondContact O-N 3.48Å; T354-Q358 WeakPolarHBondContact O-CB 3.34Å; T354-Q358 PolarHBondContact O-N 2.83Å |
| 355 | V | 94.6 | Very high | 93 | Very high | 67 Ų | 67 | 101.9 Ų | 101.9 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | V351 Q352 L353 Q358 K359 | V351-V355 VanDerWaalsContact O-CG2 3.29Å; V351-V355 WeakPolarHBondContact O-CG2 3.32Å; V351-V355 PolarHBondContact O-N 2.89Å; Q352-V355 PolarHBondContact O-N 2.85Å; L353-V355 PolarHBondContact O-N 2.78Å; V355-Q358 PolarHBondContact O-N 3.34Å; V355-K359 HydrophobicContact CG1-CD 4.32Å; V355-K359 WeakPolarHBondContact O-CB 3.31Å; V355-K359 WeakPolarHBondContact O-CG 3.26Å; V355-K359 PolarHBondContact O-N 3.48Å |
| 356 | T | 93.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | Q352 L353 Q358 K359 L360 | Q352-T356 WeakPolarHBondContact O-CB 3.49Å; Q352-T356 VanDerWaalsContact O-CG2 3.31Å; Q352-T356 WeakPolarHBondContact O-CG2 3.31Å; Q352-T356 PolarHBondContact O-N 2.87Å; Q352-T356 PolarHBondContact O-OG1 2.89Å; L353-T356 VanDerWaalsContact CA-OG1 3.31Å; L353-T356 WeakPolarHBondContact CA-OG1 3.42Å; L353-T356 PolarHBondContact O-N 3.46Å; L353-T356 PolarHBondContact O-OG1 3.36Å; T356-Q358 PolarHBondContact O-N 3.45Å; T356-K359 PolarHBondContact O-N 3.21Å; T356-L360 WeakPolarHBondContact O-CB 3.48Å; T356-L360 PolarHBondContact O-N 2.89Å |
| 357 | Q | 93.7 | Very high | 92.1 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 170.8 | -74.6 | 174 | -6.4 | 0 | 0 | 111.5 | L353 T354 K359 L360 F361 | L353-Q357 WeakPolarHBondContact O-CB 3.38Å; L353-Q357 VanDerWaalsContact O-CG 3.22Å; L353-Q357 WeakPolarHBondContact O-CG 3.35Å; L353-Q357 PolarHBondContact O-N 3.42Å; T354-Q357 PolarHBondContact O-N 3.48Å; Q357-K359 PolarHBondContact O-N 2.9Å; Q357-L360 PolarHBondContact O-N 3.3Å; Q357-F361 HydrophobicContact CB-CE2 4.39Å; Q357-F361 WeakPolarHBondContact O-CD2 3.37Å; Q357-F361 WeakPolarHBondContact O-CG 3.22Å; Q357-F361 PolarHBondContact O-N 2.85Å |
| 358 | Q | 92 | Very high | 91.5 | Very high | 103 Ų | 103 | 100 Ų | 100 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 177.6 | -175.8 | 62.8 | 50.5 | 0 | 0 | 112.5 | T354 V355 T356 K362 | T354-Q358 WeakPolarHBondContact O-CB 3.34Å; T354-Q358 PolarHBondContact O-N 2.83Å; V355-Q358 PolarHBondContact O-N 3.34Å; T356-Q358 PolarHBondContact O-N 3.45Å; Q358-K362 WeakPolarHBondContact O-CB 3.16Å; Q358-K362 WeakPolarHBondContact O-CG 3.44Å; Q358-K362 PolarHBondContact O-N 3.35Å |
| 359 | K | 92.4 | Very high | 90.5 | Very high | 145 Ų | 145 | 104 Ų | 104 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 174.2 | -76.1 | 179.6 | 178.5 | -178.4 | 0 | 111.1 | V355 T356 Q357 K362 A363 | V355-K359 HydrophobicContact CG1-CD 4.32Å; V355-K359 WeakPolarHBondContact O-CB 3.31Å; V355-K359 WeakPolarHBondContact O-CG 3.26Å; V355-K359 PolarHBondContact O-N 3.48Å; T356-K359 PolarHBondContact O-N 3.21Å; Q357-K359 PolarHBondContact O-N 2.9Å; K359-K362 PolarHBondContact O-N 3Å; K359-A363 WeakPolarHBondContact O-CB 3.46Å; K359-A363 PolarHBondContact O-N 2.85Å |
| 360 | L | 91.3 | Very high | 89.7 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 177 | -175.8 | 135.6 | 0 | 0 | 0 | 111.7 | T356 Q357 K362 A363 Q364 | T356-L360 WeakPolarHBondContact O-CB 3.48Å; T356-L360 PolarHBondContact O-N 2.89Å; Q357-L360 PolarHBondContact O-N 3.3Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.24Å; L360-A363 PolarHBondContact O-N 2.93Å; L360-Q364 WeakPolarHBondContact O-CB 3.5Å; L360-Q364 PolarHBondContact O-N 3.49Å |
| 361 | F | 93.1 | Very high | 88.5 | Confident | 116 Ų | 116 | 107.3 Ų | 107.3 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.2 | -74.5 | -51.2 | 0 | 0 | 0 | 112.6 | Q357 R365 | Q357-F361 HydrophobicContact CB-CE2 4.39Å; Q357-F361 WeakPolarHBondContact O-CD2 3.37Å; Q357-F361 WeakPolarHBondContact O-CG 3.22Å; Q357-F361 PolarHBondContact O-N 2.85Å; F361-R365 WeakPolarHBondContact O-CB 3.34Å; F361-R365 PolarHBondContact O-N 3.39Å |
| 362 | K | 91.2 | Very high | 87.3 | Confident | 125 Ų | 125 | 107.4 Ų | 107.4 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 173.2 | -77.6 | 178.4 | 178.1 | -176.8 | 0 | 111.6 | Q358 K359 L360 Q364 R365 N366 | Q358-K362 WeakPolarHBondContact O-CB 3.16Å; Q358-K362 WeakPolarHBondContact O-CG 3.44Å; Q358-K362 PolarHBondContact O-N 3.35Å; K359-K362 PolarHBondContact O-N 3Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.24Å; K362-Q364 PolarHBondContact O-N 2.87Å; K362-R365 PolarHBondContact O-N 3.46Å; K362-N366 PolarHBondContact O-N 3.3Å; K362-N366 PolarHBondContact O-OD1 3.28Å |
| 363 | A | 88.6 | Confident | 85.7 | Confident | 48 Ų | 48 | 109.4 Ų | 109.4 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K359 L360 R365 N366 I367 | K359-A363 WeakPolarHBondContact O-CB 3.46Å; K359-A363 PolarHBondContact O-N 2.85Å; L360-A363 PolarHBondContact O-N 2.93Å; A363-R365 PolarHBondContact O-N 2.82Å; A363-N366 PolarHBondContact O-N 2.86Å; A363-I367 WeakPolarHBondContact O-CG1 3.38Å; A363-I367 PolarHBondContact O-N 3.01Å |
| 364 | Q | 90.3 | Very high | 84 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.9 | -169.2 | 175.9 | -1.2 | 0 | 0 | 111.9 | L360 K362 I367 Q368 | L360-Q364 WeakPolarHBondContact O-CB 3.5Å; L360-Q364 PolarHBondContact O-N 3.49Å; K362-Q364 PolarHBondContact O-N 2.87Å; Q364-I367 PolarHBondContact O-N 3.5Å; Q364-Q368 VanDerWaalsContact O-CG 3.26Å; Q364-Q368 WeakPolarHBondContact O-CG 3.47Å; Q364-Q368 PolarHBondContact O-N 3.22Å |
| 365 | R | 85.3 | Confident | 81.7 | Confident | 200 Ų | 200 | 117.7 Ų | 117.7 | 76% | 0.755 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -39.6 | 172.8 | -83.4 | -172 | 173.9 | 173.2 | -0.2 | 112.8 | F361 K362 A363 Q368 R369 | F361-R365 WeakPolarHBondContact O-CB 3.34Å; F361-R365 PolarHBondContact O-N 3.39Å; K362-R365 PolarHBondContact O-N 3.46Å; A363-R365 PolarHBondContact O-N 2.82Å; R365-Q368 PolarHBondContact O-N 3.1Å; R365-R369 WeakPolarHBondContact O-CB 3.41Å; R365-R369 PolarHBondContact O-N 3.44Å |
| 366 | N | 85.5 | Confident | 81 | Confident | 85 Ų | 85 | 120.3 Ų | 120.3 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.4 | -45.2 | 176.5 | -74.6 | -0.5 | 0 | 0 | 0 | 111 | K362 A363 Q368 R369 E370 | K362-N366 PolarHBondContact O-N 3.3Å; K362-N366 PolarHBondContact O-OD1 3.28Å; A363-N366 PolarHBondContact O-N 2.86Å; N366-Q368 VanDerWaalsContact C-N 3.29Å; N366-Q368 PolarHBondContact O-N 2.85Å; N366-R369 PolarHBondContact O-N 3.04Å; N366-R369 VanDerWaalsContact O-N 3.1Å; N366-E370 WeakPolarHBondContact O-CG 3.44Å; N366-E370 PolarHBondContact O-N 3.36Å |
| 367 | I | 84.7 | Confident | 80.4 | Confident | 90 Ų | 90 | 122.5 Ų | 122.5 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.8 | -40.1 | 174.7 | -66.8 | 164.9 | 0 | 0 | 0 | 111.2 | A363 Q364 R371 | A363-I367 WeakPolarHBondContact O-CG1 3.38Å; A363-I367 PolarHBondContact O-N 3.01Å; Q364-I367 PolarHBondContact O-N 3.5Å; I367-R371 WeakPolarHBondContact O-CG 3.26Å; I367-R371 PolarHBondContact O-N 2.94Å |
| 368 | Q | 80.9 | Confident | 79.6 | Confident | 103 Ų | 103 | 124.3 Ų | 124.3 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -39.9 | 175 | -71.3 | -71.8 | -11.5 | 0 | 0 | 112 | Q364 R365 N366 R371 T372 | Q364-Q368 VanDerWaalsContact O-CG 3.26Å; Q364-Q368 WeakPolarHBondContact O-CG 3.47Å; Q364-Q368 PolarHBondContact O-N 3.22Å; R365-Q368 PolarHBondContact O-N 3.1Å; N366-Q368 VanDerWaalsContact C-N 3.29Å; N366-Q368 PolarHBondContact O-N 2.85Å; Q368-R371 WeakPolarHBondContact O-CB 3.32Å; Q368-R371 PolarHBondContact O-N 3.47Å; Q368-T372 PolarHBondContact O-N 3.17Å; Q368-T372 PolarHBondContact O-OG1 2.92Å |
| 369 | R | 75.1 | Confident | 78.9 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -44.4 | 177.7 | -171.9 | -178.5 | -90.3 | 159.9 | -12.6 | 111.7 | R365 N366 R371 T372 E373 | R365-R369 WeakPolarHBondContact O-CB 3.41Å; R365-R369 PolarHBondContact O-N 3.44Å; N366-R369 PolarHBondContact O-N 3.04Å; N366-R369 VanDerWaalsContact O-N 3.1Å; R369-R371 VanDerWaalsContact C-N 3.25Å; R369-R371 PolarHBondContact O-N 3Å; R369-T372 WeakPolarHBondContact CA-OG1 3.43Å; R369-T372 PolarHBondContact O-N 3.31Å; R369-T372 PolarHBondContact O-OG1 3.04Å; R369-E373 PolarHBondContact O-N 3.36Å |
| 370 | E | 77.2 | Confident | 78.1 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59 | -38.2 | 173.4 | -73.9 | 172.5 | -175.8 | 0 | 0 | 111.4 | N366 E373 A374 | N366-E370 WeakPolarHBondContact O-CG 3.44Å; N366-E370 PolarHBondContact O-N 3.36Å; E370-E373 PolarHBondContact O-N 3.35Å; E370-A374 WeakPolarHBondContact O-CB 3.47Å; E370-A374 PolarHBondContact O-N 2.76Å |
| 371 | R | 71.1 | Confident | 77.2 | Confident | 161 Ų | 161 | 125.6 Ų | 125.6 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 173 | -80.2 | -179 | 173.2 | -173 | -2.1 | 113.1 | I367 Q368 R369 F375 | I367-R371 WeakPolarHBondContact O-CG 3.26Å; I367-R371 PolarHBondContact O-N 2.94Å; Q368-R371 WeakPolarHBondContact O-CB 3.32Å; Q368-R371 PolarHBondContact O-N 3.47Å; R369-R371 VanDerWaalsContact C-N 3.25Å; R369-R371 PolarHBondContact O-N 3Å; R371-F375 WeakPolarHBondContact O-CD2 3.44Å |
| 372 | T | 69 | Low | 76 | Confident | 94 Ų | 94 | 126.3 Ų | 126.3 | 58% | 0.577 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -77 | -24 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | Q368 R369 | Q368-T372 PolarHBondContact O-N 3.17Å; Q368-T372 PolarHBondContact O-OG1 2.92Å; R369-T372 WeakPolarHBondContact CA-OG1 3.43Å; R369-T372 PolarHBondContact O-N 3.31Å; R369-T372 PolarHBondContact O-OG1 3.04Å |
| 373 | E | 60.9 | Low | 74.9 | Confident | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.9 | -12.9 | 174.8 | -72 | 174.1 | -171.2 | 0 | 0 | 112.7 | R369 E370 | R369-E373 PolarHBondContact O-N 3.36Å; E370-E373 PolarHBondContact O-N 3.35Å |
| 374 | A | 58.1 | Low | 73.7 | Confident | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 1.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E370 | E370-A374 WeakPolarHBondContact O-CB 3.47Å; E370-A374 PolarHBondContact O-N 2.76Å |
| 375 | F | 46.8 | Very low | 72.2 | Confident | 245 Ų | 245 | 135.7 Ų | 135.7 | 100% | 1.075 | 64% | 0.635 | S | S | * | * | trans | -113.5 | 0 | 170.5 | -85.2 | -83.3 | 0 | 0 | 0 | 109.5 | R371 | R371-F375 WeakPolarHBondContact O-CD2 3.44Š|
Retrieved 375 of 375 residues in 85.1 ms
(Link to these results)