| 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 | 35.9 | Very low | 43.5 | Very low | 232 Ų | 232 | 159.2 Ų | 159.2 | 100% | 1.143 | 82% | 0.82 | S | S | * | * | 0 | 121.8 | 0 | -70.9 | -165.5 | 112.5 | 0 | 0 | 109.8 | |||||
| 2 | L | 40.5 | Very low | 44.4 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | 19.7 | 105.1 | 156.6 | -60.7 | 161.4 | 0 | 0 | 0 | 118.6 | ||||
| 3 | K | 35.9 | Very low | 46.1 | Very low | 209 Ų | 209 | 150.4 Ų | 150.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -90 | 114.5 | 155.9 | -93.2 | 179 | 175.5 | 176.9 | 0 | 108.9 | K5 | K3-K5 PolarHBondContact O-N 3.1Š| ||
| 4 | N | 39.3 | Very low | 48.6 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -57.9 | 117.2 | 173.5 | -73.1 | -31.8 | 0 | 0 | 0 | 110.7 | G6 | N4-G6 PolarHBondContact O-N 3.32Š| ||
| 5 | K | 38.8 | Very low | 50.9 | Low | 201 Ų | 201 | 141.9 Ų | 141.9 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -74.9 | 104.6 | 164.8 | -82.7 | 179.3 | 175.5 | 176.3 | 0 | 108.2 | K3 H7 | K3-K5 PolarHBondContact O-N 3.1Å; K5-H7 PolarHBondContact O-N 3.34Å | ||
| 6 | G | 37.6 | Very low | 52.9 | Low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 109.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | N4 S8 | N4-G6 PolarHBondContact O-N 3.32Å; G6-S8 PolarHBondContact O-N 3.09Å | ||
| 7 | H | 48.6 | Very low | 54.8 | Low | 194 Ų | 194 | 132.4 Ų | 132.4 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | -74.8 | 95.7 | 159.6 | -92.7 | -78.6 | 0 | 0 | 0 | 108.9 | K5 | K5-H7 PolarHBondContact O-N 3.34Š| ||
| 8 | S | 47.3 | Very low | 56.5 | Low | 81 Ų | 81 | 127.6 Ų | 127.6 | 57% | 0.566 | 68% | 0.684 | S | S | * | * | trans | -166.9 | 94 | 158.6 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | G6 | G6-S8 PolarHBondContact O-N 3.09Š| ||
| 9 | S | 49.4 | Very low | 58.1 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -147.9 | -21.4 | 166.8 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | K11 | S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.14Å |
| 10 | K | 52 | Low | 59.5 | Low | 191 Ų | 191 | 119.5 Ų | 119.5 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -20.4 | 173.5 | -67.2 | -175.3 | 177.5 | -177 | 0 | 114 | ||
| 11 | K | 52.7 | Low | 60.7 | Low | 155 Ų | 155 | 117.3 Ų | 117.3 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -29.9 | -178.2 | -77.7 | -175.6 | 176.7 | -179.6 | 0 | 113.5 | S9 N13 L14 | S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 3.14Å; K11-N13 VanDerWaalsContact C-N 3.32Å; K11-N13 PolarHBondContact O-N 3.11Å; K11-L14 PolarHBondContact O-N 3.18Å |
| 12 | D | 54.4 | Low | 63 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 57% | 0.572 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.1 | -24.2 | -172.8 | -58.4 | -28.6 | 0 | 0 | 0 | 113 | ||
| 13 | N | 67.4 | Low | 65.2 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -85.6 | -14.6 | 175 | -67.9 | -28.3 | 0 | 0 | 0 | 113.4 | K11 N17 | K11-N13 VanDerWaalsContact C-N 3.32Å; K11-N13 PolarHBondContact O-N 3.11Å; N13-N17 WeakPolarHBondContact O-CB 3.29Å; N13-N17 PolarHBondContact O-N 3.03Å; N13-N17 PolarHBondContact O-ND2 3.49Å; N13-N17 PolarHBondContact O-OD1 2.85Å |
| 14 | L | 80.2 | Confident | 67.5 | Low | 109 Ų | 109 | 97.4 Ų | 97.4 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | -177.8 | -74.7 | 168.6 | 0 | 0 | 0 | 111.8 | K11 N17 A18 | K11-L14 PolarHBondContact O-N 3.18Å; L14-N17 PolarHBondContact O-N 3.43Å; L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 2.92Å |
| 15 | A | 82.7 | Confident | 69.6 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A18 V19 | A15-A18 PolarHBondContact O-N 3.32Å; A15-V19 WeakPolarHBondContact O-CB 3.43Å; A15-V19 VanDerWaalsContact O-CG2 3.26Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.28Å |
| 16 | V | 83.6 | Confident | 71.7 | Confident | 72 Ų | 72 | 88.4 Ų | 88.4 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.4 | 180 | 0 | 0 | 0 | 0 | 111.1 | A20 L95 | V16-A20 WeakPolarHBondContact O-CB 3.49Å; V16-A20 PolarHBondContact O-N 3.2Å; V16-L95 HydrophobicContact CG1-CD1 4.31Å |
| 17 | N | 85.4 | Confident | 73.6 | Confident | 49 Ų | 49 | 89 Ų | 89 | 26% | 0.262 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 176.8 | -70.5 | -10.5 | 0 | 0 | 0 | 112.2 | N13 L14 A20 L21 L97 | N13-N17 WeakPolarHBondContact O-CB 3.29Å; N13-N17 PolarHBondContact O-N 3.03Å; N13-N17 PolarHBondContact O-ND2 3.49Å; N13-N17 PolarHBondContact O-OD1 2.85Å; L14-N17 PolarHBondContact O-N 3.43Å; N17-A20 PolarHBondContact O-N 3.4Å; N17-L21 VanDerWaalsContact O-CB 3.3Å; N17-L21 WeakPolarHBondContact O-CB 3.42Å; N17-L21 PolarHBondContact O-N 3.12Å; N17-L97 HydrophobicContact CB-CD1 3.59Å; N17-L97 HydrophobicContact CB-CD2 4.32Å |
| 18 | A | 84.8 | Confident | 74.9 | Confident | 47 Ų | 47 | 85.7 Ų | 85.7 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L14 A15 L21 Q22 | L14-A18 VanDerWaalsContact O-CB 3.23Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 2.92Å; A15-A18 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.42Å; A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 3Å |
| 19 | V | 87.1 | Confident | 76.3 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | A15 L21 Q22 D23 | A15-V19 WeakPolarHBondContact O-CB 3.43Å; A15-V19 VanDerWaalsContact O-CG2 3.26Å; A15-V19 WeakPolarHBondContact O-CG2 3.34Å; A15-V19 PolarHBondContact O-N 3.28Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.33Å; V19-Q22 PolarHBondContact O-N 3.48Å; V19-D23 WeakPolarHBondContact O-CB 3.19Å; V19-D23 PolarHBondContact O-N 3.15Å |
| 20 | A | 86.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 90.5 Ų | 90.5 | 2% | 0.017 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V16 N17 H24 L91 A92 L95 | V16-A20 WeakPolarHBondContact O-CB 3.49Å; V16-A20 PolarHBondContact O-N 3.2Å; N17-A20 PolarHBondContact O-N 3.4Å; A20-H24 WeakPolarHBondContact O-CB 3.38Å; A20-H24 PolarHBondContact O-N 3.11Å; A20-L91 HydrophobicContact CB-CB 4.14Å; A20-L91 HydrophobicContact CB-CD2 4.08Å; A20-L91 HydrophobicContact CB-CG 4.03Å; A20-A92 HydrophobicContact CB-CB 4.16Å; A20-A92 WeakPolarHBondContact O-CB 3.48Å; A20-L95 HydrophobicContact CB-CD1 4.17Å |
| 21 | L | 84.9 | Confident | 77.7 | Confident | 73 Ų | 73 | 85 Ų | 85 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 177.8 | -170.7 | 68.6 | 0 | 0 | 0 | 111.9 | N17 A18 V19 H24 I25 I98 | N17-L21 VanDerWaalsContact O-CB 3.3Å; N17-L21 WeakPolarHBondContact O-CB 3.42Å; N17-L21 PolarHBondContact O-N 3.12Å; A18-L21 PolarHBondContact O-N 3.42Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.33Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 3.4Å; L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 3.26Å; L21-I98 HydrophobicContact CD1-CD1 3.6Å; L21-I98 HydrophobicContact CD1-CG1 4.1Å |
| 22 | Q | 84.4 | Confident | 77.8 | Confident | 125 Ų | 125 | 85.6 Ų | 85.6 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 175.2 | -74.1 | 174.8 | -8.5 | 0 | 0 | 111.9 | A18 V19 H24 I25 L26 | A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 3Å; V19-Q22 PolarHBondContact O-N 3.48Å; Q22-H24 VanDerWaalsContact C-N 3.28Å; Q22-H24 PolarHBondContact O-N 2.86Å; Q22-I25 PolarHBondContact O-N 3.03Å; Q22-L26 WeakPolarHBondContact O-CB 3.49Å; Q22-L26 VanDerWaalsContact O-CG 3.28Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.49Å |
| 23 | D | 85.3 | Confident | 77.6 | Confident | 42 Ų | 42 | 88 Ų | 88 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 174.1 | 172.5 | 71.8 | 0 | 0 | 0 | 111.7 | V19 R27 | V19-D23 WeakPolarHBondContact O-CB 3.19Å; V19-D23 PolarHBondContact O-N 3.15Å; D23-R27 VanDerWaalsContact CG-NE 3.29Å; D23-R27 VanDerWaalsContact CG-NH2 3.34Å; D23-R27 WeakPolarHBondContact O-CB 3.38Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.43Å; D23-R27 PolarHBondContact O-N 3.26Å; D23-R27 IonicContact OD1-CZ 3.36Å; D23-R27 IonicContact OD1-NE 3.87Å; D23-R27 PolarHBondContact OD1-NE 3.41Å; D23-R27 IonicContact OD1-NH2 3.22Å; D23-R27 PolarHBondContact OD1-NH2 2.98Å; D23-R27 IonicContact OD2-CZ 3.04Å; D23-R27 IonicContact OD2-NE 2.64Å; D23-R27 PolarHBondContact OD2-NE 3.27Å; D23-R27 IonicContact OD2-NH1 3.9Å; D23-R27 IonicContact OD2-NH2 3.5Å; D23-R27 PolarHBondContact OD2-NH2 3.41Å |
| 24 | H | 84.8 | Confident | 76.7 | Confident | 21 Ų | 21 | 89.8 Ų | 89.8 | 10% | 0.097 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 174.9 | -177.1 | 90 | 0 | 0 | 0 | 112.2 | A20 L21 Q22 L26 R27 D28 T90 A92 Q93 I98 | A20-H24 WeakPolarHBondContact O-CB 3.38Å; A20-H24 PolarHBondContact O-N 3.11Å; L21-H24 WeakPolarHBondContact O-CB 3.48Å; L21-H24 PolarHBondContact O-N 3.4Å; Q22-H24 VanDerWaalsContact C-N 3.28Å; Q22-H24 PolarHBondContact O-N 2.86Å; H24-L26 VanDerWaalsContact C-N 3.31Å; H24-L26 PolarHBondContact O-N 3Å; H24-R27 PolarHBondContact O-N 2.85Å; H24-R27 VanDerWaalsContact O-N 3.17Å; H24-D28 WeakPolarHBondContact O-CB 3.46Å; H24-D28 PolarHBondContact O-N 2.84Å; H24-T90 PolarHBondContact ND1-OG1 3.27Å; H24-A92 HydrophobicContact CB-CB 3.83Å; H24-Q93 PolarHBondContact CE1-NE2 2.8Å; H24-I98 HydrophobicContact CB-CD1 4.19Å; H24-I98 WeakPolarHBondContact CD2-CD1 3.36Å; H24-I98 WeakPolarHBondContact NE2-CD1 3.38Å |
| 25 | I | 84.1 | Confident | 74.8 | Confident | 83 Ų | 83 | 89.1 Ų | 89.1 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 179.1 | -67.2 | 164.6 | 0 | 0 | 0 | 110.8 | L21 Q22 R27 D28 L29 | L21-I25 HydrophobicContact CG-CD1 4.15Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 3.26Å; Q22-I25 PolarHBondContact O-N 3.03Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.71Å; I25-D28 PolarHBondContact O-N 3.41Å; I25-L29 HydrophobicContact CG2-CD1 3.78Å; I25-L29 HydrophobicContact CG2-CG 4.44Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 VanDerWaalsContact O-CG 3.3Å; I25-L29 WeakPolarHBondContact O-CG 3.5Å; I25-L29 PolarHBondContact O-N 3.19Å |
| 26 | L | 82.8 | Confident | 73.1 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 177.3 | -71.6 | 171.6 | 0 | 0 | 0 | 112.9 | Q22 H24 Q30 L31 | Q22-L26 WeakPolarHBondContact O-CB 3.49Å; Q22-L26 VanDerWaalsContact O-CG 3.28Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.49Å; H24-L26 VanDerWaalsContact C-N 3.31Å; H24-L26 PolarHBondContact O-N 3Å; L26-Q30 PolarHBondContact O-N 3.3Å; L26-L31 HydrophobicContact CD2-CB 4.2Å; L26-L31 HydrophobicContact CD2-CD1 4.46Å; L26-L31 PolarHBondContact O-N 3.48Å |
| 27 | R | 77.3 | Confident | 70.9 | Confident | 92 Ų | 92 | 92.6 Ų | 92.6 | 35% | 0.347 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.6 | -38.9 | 176.1 | -73.6 | 176 | -166.7 | -162.7 | 11.9 | 112.6 | D23 H24 I25 Q30 | D23-R27 VanDerWaalsContact CG-NE 3.29Å; D23-R27 VanDerWaalsContact CG-NH2 3.34Å; D23-R27 WeakPolarHBondContact O-CB 3.38Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.43Å; D23-R27 PolarHBondContact O-N 3.26Å; D23-R27 IonicContact OD1-CZ 3.36Å; D23-R27 IonicContact OD1-NE 3.87Å; D23-R27 PolarHBondContact OD1-NE 3.41Å; D23-R27 IonicContact OD1-NH2 3.22Å; D23-R27 PolarHBondContact OD1-NH2 2.98Å; D23-R27 IonicContact OD2-CZ 3.04Å; D23-R27 IonicContact OD2-NE 2.64Å; D23-R27 PolarHBondContact OD2-NE 3.27Å; D23-R27 IonicContact OD2-NH1 3.9Å; D23-R27 IonicContact OD2-NH2 3.5Å; D23-R27 PolarHBondContact OD2-NH2 3.41Å; H24-R27 PolarHBondContact O-N 2.85Å; H24-R27 VanDerWaalsContact O-N 3.17Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.71Å; R27-Q30 PolarHBondContact O-N 2.85Å |
| 28 | D | 76.6 | Confident | 68.4 | Low | 123 Ų | 123 | 97.9 Ų | 97.9 | 66% | 0.658 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 178.4 | -164.7 | 52.6 | 0 | 0 | 0 | 111.3 | H24 I25 Q30 | H24-D28 WeakPolarHBondContact O-CB 3.46Å; H24-D28 PolarHBondContact O-N 2.84Å; I25-D28 PolarHBondContact O-N 3.41Å; D28-Q30 PolarHBondContact O-N 2.86Å |
| 29 | L | 76.7 | Confident | 65.9 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.6 | 174.9 | -61.5 | 174.6 | 0 | 0 | 0 | 114 | I25 L31 | I25-L29 HydrophobicContact CG2-CD1 3.78Å; I25-L29 HydrophobicContact CG2-CG 4.44Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 VanDerWaalsContact O-CG 3.3Å; I25-L29 WeakPolarHBondContact O-CG 3.5Å; I25-L29 PolarHBondContact O-N 3.19Å; L29-L31 HydrophobicContact CB-CD1 3.69Å; L29-L31 HydrophobicContact CB-CG 3.69Å; L29-L31 HydrophobicContact CD1-CD1 3.86Å; L29-L31 HydrophobicContact CG-CD1 4.44Å; L29-L31 PolarHBondContact O-N 3.46Å; L29-L31 VanDerWaalsContact O-N 3.11Å |
| 30 | Q | 65.4 | Low | 63.5 | Low | 167 Ų | 167 | 104.8 Ų | 104.8 | 78% | 0.78 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.5 | 22.5 | -176.5 | -57.4 | -177.4 | -18.2 | 0 | 0 | 114.9 | L26 R27 D28 R32 | L26-Q30 PolarHBondContact O-N 3.3Å; R27-Q30 PolarHBondContact O-N 2.85Å; D28-Q30 PolarHBondContact O-N 2.86Å; Q30-R32 PolarHBondContact O-N 3.27Å |
| 31 | L | 64.4 | Low | 61 | Low | 75 Ų | 75 | 114.2 Ų | 114.2 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -81.6 | 9.9 | -172.9 | -64.9 | 174.1 | 0 | 0 | 0 | 114.5 | L26 L29 N33 L34 | L26-L31 HydrophobicContact CD2-CB 4.2Å; L26-L31 HydrophobicContact CD2-CD1 4.46Å; L26-L31 PolarHBondContact O-N 3.48Å; L29-L31 HydrophobicContact CB-CD1 3.69Å; L29-L31 HydrophobicContact CB-CG 3.69Å; L29-L31 HydrophobicContact CD1-CD1 3.86Å; L29-L31 HydrophobicContact CG-CD1 4.44Å; L29-L31 PolarHBondContact O-N 3.46Å; L29-L31 VanDerWaalsContact O-N 3.11Å; L31-N33 PolarHBondContact O-N 2.8Å; L31-L34 HydrophobicContact CD2-CD1 4.19Å; L31-L34 PolarHBondContact O-N 3.04Å |
| 32 | R | 55.1 | Low | 58.5 | Low | 167 Ų | 167 | 116.8 Ų | 116.8 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -64.1 | -12 | -171.1 | -148.6 | 179.8 | -172.6 | -166.3 | 1.4 | 114.6 | Q30 L34 | Q30-R32 PolarHBondContact O-N 3.27Å; R32-L34 VanDerWaalsContact C-N 3.35Å |
| 33 | N | 49.5 | Very low | 55.9 | Low | 158 Ų | 158 | 119 Ų | 119 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -89.7 | 10.5 | -179.1 | -62.6 | -24.7 | 0 | 0 | 0 | 114.2 | L31 | L31-N33 PolarHBondContact O-N 2.8Š|
| 34 | L | 48.6 | Very low | 53.2 | Low | 135 Ų | 135 | 123 Ų | 123 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -107.4 | 11.4 | 179.3 | -65.8 | 170.8 | 0 | 0 | 0 | 114.1 | L31 R32 V36 | L31-L34 HydrophobicContact CD2-CD1 4.19Å; L31-L34 PolarHBondContact O-N 3.04Å; R32-L34 VanDerWaalsContact C-N 3.35Å; L34-V36 PolarHBondContact O-N 3.3Å |
| 35 | S | 41.6 | Very low | 50.6 | Low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | trans | -74.5 | 107.9 | 178.5 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | A37 | S35-A37 PolarHBondContact O-N 3.11Š| ||
| 36 | V | 47 | Very low | 48.1 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | trans | -73.9 | 11 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 114 | L34 | L34-V36 PolarHBondContact O-N 3.3Š| ||
| 37 | A | 36.9 | Very low | 45.5 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 50% | 0.504 | 72% | 0.716 | S | S | . | * | trans | -111.6 | 95.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S35 H39 | S35-A37 PolarHBondContact O-N 3.11Å; A37-H39 PolarHBondContact O-N 2.93Å | ||
| 38 | D | 31.8 | Very low | 43.3 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -66 | 104.5 | 166.7 | -87.3 | -39.5 | 0 | 0 | 0 | 110 | ||||
| 39 | H | 33.8 | Very low | 41.1 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -108.4 | 95.6 | 156.4 | -69.6 | -39.8 | 0 | 0 | 0 | 108.1 | A37 K41 | A37-H39 PolarHBondContact O-N 2.93Å; H39-K41 PolarHBondContact O-N 3.28Å; H39-K41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | S | 34.9 | Very low | 39.1 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -41.8 | 107.3 | 169.9 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 41 | K | 35.6 | Very low | 37.6 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | -100.1 | 110.5 | 167.9 | -75.3 | -173.2 | 179.5 | 179.8 | 0 | 109.9 | H39 Q43 | H39-K41 PolarHBondContact O-N 3.28Å; H39-K41 VanDerWaalsContact O-N 3.08Å; K41-Q43 PolarHBondContact O-N 3.02Å | ||
| 42 | T | 32 | Very low | 36.3 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -39 | 119.6 | 168.2 | -46.7 | 0 | 0 | 0 | 0 | 112.4 | V44 | T42-V44 PolarHBondContact O-N 3.4Š| ||
| 43 | Q | 29.1 | Very low | 35.3 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 101.4 | 175.4 | -142.5 | -178.1 | 24.6 | 0 | 0 | 108.7 | K41 Q45 | K41-Q43 PolarHBondContact O-N 3.02Å; Q43-Q45 PolarHBondContact O-N 3.06Å | ||
| 44 | V | 29.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 103.5 | 168.7 | 177 | 0 | 0 | 0 | 0 | 107.9 | T42 K46 | T42-V44 PolarHBondContact O-N 3.4Å; V44-K46 PolarHBondContact O-N 3.46Å | ||
| 45 | Q | 29.5 | Very low | 34.2 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -68.7 | 111.8 | 172.2 | -68.9 | -178.9 | -4.6 | 0 | 0 | 109.8 | Q43 | Q43-Q45 PolarHBondContact O-N 3.06Š| ||
| 46 | K | 31.2 | Very low | 34 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 110.3 | 164.2 | -106.5 | -177.1 | 174.4 | -177.9 | 0 | 108.7 | V44 E48 | V44-K46 PolarHBondContact O-N 3.46Å; K46-E48 PolarHBondContact O-N 3.27Å | ||
| 47 | K | 30.2 | Very low | 33.8 | Very low | 189 Ų | 189 | 160.1 Ų | 160.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -69.4 | 117.5 | 163.9 | -84.3 | 178.7 | 172.5 | 176.2 | 0 | 108.9 | ||||
| 48 | E | 29.6 | Very low | 33.8 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -100.1 | 117.3 | 163.9 | -76.3 | -172.9 | 166.3 | 0 | 0 | 109.6 | K46 K50 | K46-E48 PolarHBondContact O-N 3.27Å; E48-K50 PolarHBondContact O-N 2.85Å | ||
| 49 | N | 31.2 | Very low | 34.4 | Very low | 154 Ų | 154 | 162.4 Ų | 162.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -74.9 | 111.5 | 177.9 | -68 | -32.8 | 0 | 0 | 0 | 109.9 | S51 | N49-S51 PolarHBondContact O-N 2.65Š| ||
| 50 | K | 35.1 | Very low | 34.7 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -84 | 102 | 164.6 | -85.3 | 179.9 | 175.2 | 175.5 | 0 | 109.5 | E48 | E48-K50 PolarHBondContact O-N 2.85Š| ||
| 51 | S | 34.3 | Very low | 34.7 | Very low | 108 Ų | 108 | 162.2 Ų | 162.2 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -84.1 | 108.2 | 166.6 | 58.6 | 0 | 0 | 0 | 0 | 110 | N49 | N49-S51 PolarHBondContact O-N 2.65Š| ||
| 52 | L | 35.8 | Very low | 35.2 | Very low | 173 Ų | 173 | 158.6 Ų | 158.6 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -78.3 | 112.3 | 164.9 | -73 | 157.4 | 0 | 0 | 0 | 108.2 | ||||
| 53 | K | 34.5 | Very low | 35.9 | Very low | 186 Ų | 186 | 156 Ų | 156 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | trans | -107.1 | 116.5 | 162.6 | -75.6 | -169 | 176.8 | -175 | 0 | 108.6 | ||||
| 54 | R | 36.8 | Very low | 36.6 | Very low | 222 Ų | 222 | 155.6 Ų | 155.6 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -110.8 | 92.2 | -179.4 | -170.3 | -177.7 | -168.2 | 176.8 | 3.4 | 106.8 | ||||
| 55 | D | 37.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 159.9 Ų | 159.9 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -104 | 83.8 | 174.2 | -67.3 | -30.2 | 0 | 0 | 0 | 109.1 | K57 | D55-K57 PolarHBondContact O-N 3.42Š| ||
| 56 | T | 37.6 | Very low | 37.5 | Very low | 125 Ų | 125 | 161.4 Ų | 161.4 | 77% | 0.767 | 83% | 0.826 | S | S | * | * | trans | -79.1 | 106 | 168.9 | 15.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 57 | K | 44.1 | Very low | 37.7 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -92.4 | 125.5 | 164.4 | -72.1 | -175.3 | 179.8 | -177.8 | 0 | 109.3 | D55 | D55-K57 PolarHBondContact O-N 3.42Š| ||
| 58 | A | 35.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -68.7 | 133.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 59 | I | 45.1 | Very low | 38.1 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | trans | -113.1 | 119.7 | 172.5 | -76.7 | 170.2 | 0 | 0 | 0 | 107.2 | ||||
| 60 | T | 39.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -76.4 | 136.9 | 173.3 | 42.6 | 0 | 0 | 0 | 0 | 111 | T62 | T60-T62 PolarHBondContact O-N 3.05Š| ||
| 61 | D | 35.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -69.4 | 113.2 | 179.6 | -175.9 | 12.5 | 0 | 0 | 0 | 111.7 | ||||
| 62 | T | 45.5 | Very low | 37.7 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -120.7 | 99.1 | 166.9 | 56 | 0 | 0 | 0 | 0 | 108.4 | T60 L64 | T60-T62 PolarHBondContact O-N 3.05Å; T62-L64 PolarHBondContact O-N 3.22Å | ||
| 63 | G | 47.7 | Very low | 37.7 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 80.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 64 | L | 42.5 | Very low | 37.7 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -131 | 111.3 | 166.6 | -143.7 | 76.9 | 0 | 0 | 0 | 110.5 | T62 K66 | T62-L64 PolarHBondContact O-N 3.22Å; L64-K66 PolarHBondContact O-N 3.02Å | ||
| 65 | K | 42.1 | Very low | 38 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 102.2 | -175 | -66.7 | 178.4 | 179.5 | 176.7 | 0 | 111.2 | ||||
| 66 | K | 36.6 | Very low | 38.4 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 133.1 | 160.8 | -107.1 | 177.7 | 178.6 | 174.7 | 0 | 109.5 | L64 M68 | L64-K66 PolarHBondContact O-N 3.02Å; K66-M68 PolarHBondContact O-N 2.91Å | ||
| 67 | T | 35.5 | Very low | 39.4 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -40.2 | 123.4 | 169.5 | -40.8 | 0 | 0 | 0 | 0 | 110.2 | Q69 | T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact O-N 3.18Å | ||
| 68 | M | 34.8 | Very low | 40.5 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 84% | 0.837 | 77% | 0.77 | S | S | * | * | trans | -60.1 | 91.9 | 179 | -68.2 | -103 | 79.1 | 0 | 0 | 109.7 | K66 C70 | K66-M68 PolarHBondContact O-N 2.91Å; M68-C70 PolarHBondContact O-N 3.36Å | ||
| 69 | Q | 33.9 | Very low | 42.5 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -61.7 | 116.2 | 150.5 | -76.6 | 176.8 | -6.6 | 0 | 0 | 105.4 | T67 P71 | T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact O-N 3.18Å; Q69-P71 VanDerWaalsContact O-N 3.15Å | ||
| 70 | C | 27 | Very low | 44 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -43.2 | 125 | 165.9 | -85.4 | 0 | 0 | 0 | 0 | 107.7 | M68 K72 | M68-C70 PolarHBondContact O-N 3.36Å; C70-K72 PolarHBondContact O-N 3.04Å | ||
| 71 | P | 31.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -51.9 | 122.5 | 166.3 | -20.6 | 31.2 | 0 | 0 | 0 | 106.4 | Q69 L73 | Q69-P71 VanDerWaalsContact O-N 3.15Å; P71-L73 PolarHBondContact O-N 3.39Å | ||
| 72 | K | 33.1 | Very low | 47.9 | Very low | 203 Ų | 203 | 129.1 Ų | 129.1 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | trans | -55.7 | 100.2 | 161.8 | -79 | 177.6 | 176.2 | 178.1 | 0 | 104.7 | C70 E74 | C70-K72 PolarHBondContact O-N 3.04Å; K72-E74 PolarHBondContact O-N 3.3Å | ||
| 73 | L | 35.6 | Very low | 49.3 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | trans | -53.7 | 108.9 | 164.3 | -88.5 | 158.5 | 0 | 0 | 0 | 104.7 | P71 D75 | P71-L73 PolarHBondContact O-N 3.39Å; L73-D75 VanDerWaalsContact C-N 3.28Å; L73-D75 PolarHBondContact O-N 2.85Å | ||
| 74 | E | 34.1 | Very low | 50.4 | Low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | trans | -56.3 | 98.6 | 167.3 | -77.2 | -170.3 | 141.4 | 0 | 0 | 107.8 | K72 S76 | K72-E74 PolarHBondContact O-N 3.3Å; E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.85Å | ||
| 75 | D | 43.1 | Very low | 51.5 | Low | 113 Ų | 113 | 127 Ų | 127 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | trans | 36.3 | 47.5 | 140.3 | -136.5 | 22.7 | 0 | 0 | 0 | 116.5 | L73 E77 K78 | L73-D75 VanDerWaalsContact C-N 3.28Å; L73-D75 PolarHBondContact O-N 2.85Å; D75-E77 PolarHBondContact O-N 3.08Å; D75-K78 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 76 | S | 46.7 | Very low | 52.5 | Low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 6 | 177.5 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | E74 | E74-S76 VanDerWaalsContact C-N 3.26Å; E74-S76 PolarHBondContact O-N 2.85Å |
| 77 | E | 58.1 | Low | 54 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 30% | 0.299 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.2 | 38.6 | -177.3 | -59.5 | -172.4 | 162 | 0 | 0 | 111.7 | D75 E79 R186 | D75-E77 PolarHBondContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 2.88Å; E77-E79 VanDerWaalsContact O-N 3.09Å; E77-R186 IonicContact OE1-CZ 2.74Å; E77-R186 IonicContact OE1-NH1 3.99Å; E77-R186 PolarHBondContact OE1-NH1 2.91Å; E77-R186 IonicContact OE1-NH2 3.69Å; E77-R186 PolarHBondContact OE1-NH2 3.4Å |
| 78 | K | 66.7 | Low | 55.9 | Low | 143 Ų | 143 | 114.5 Ų | 114.5 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | trans | -65.6 | 111.6 | 175.5 | -71.4 | 178.1 | -174.4 | 179.5 | 0 | 110.2 | D75 Y80 | D75-K78 WeakPolarHBondContact OD2-CE 3.37Å; K78-Y80 WeakPolarHBondContact O-CD1 3.43Å | ||
| 79 | E | 77.6 | Confident | 58 | Low | 47 Ų | 47 | 110.2 Ų | 110.2 | 22% | 0.22 | 58% | 0.584 | C | S | . | * | trans | -65.7 | 136.2 | 172.7 | -61.8 | -178.5 | 166.7 | 0 | 0 | 110 | E77 K114 R176 V177 | E77-E79 PolarHBondContact O-N 2.88Å; E77-E79 VanDerWaalsContact O-N 3.09Å; E79-K114 VanDerWaalsContact CD-NZ 3.33Å; E79-K114 IonicContact OE1-NZ 2.88Å; E79-K114 PolarHBondContact OE1-NZ 2.75Å; E79-K114 IonicContact OE2-NZ 2.85Å; E79-K114 PolarHBondContact OE2-NZ 3.2Å; E79-R176 IonicContact OE2-CZ 3.17Å; E79-R176 IonicContact OE2-NE 3.63Å; E79-R176 PolarHBondContact OE2-NE 2.64Å; E79-R176 IonicContact OE2-NH2 2.84Å; E79-R176 PolarHBondContact OE2-NH2 2.84Å; E79-V177 VanDerWaalsContact CB-O 3.3Å; E79-V177 WeakPolarHBondContact CB-O 3.34Å; E79-V177 WeakPolarHBondContact CG-O 3.33Å | ||
| 80 | Y | 77.6 | Confident | 60.3 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | trans | -139.9 | 151.9 | -178.5 | 63.9 | -84.7 | 0 | 0 | 0 | 111.7 | K78 L82 R150 V177 | K78-Y80 WeakPolarHBondContact O-CD1 3.43Å; Y80-L82 HydrophobicContact CD2-CD2 4.12Å; Y80-L82 HydrophobicContact CE2-CD2 3.4Å; Y80-L82 VanDerWaalsContact CE2-CD2 3.4Å; Y80-L82 HydrophobicContact CE2-CG 4.39Å; Y80-R150 PolarHBondContact OH-NH1 2.93Å; Y80-V177 HydrophobicContact CD1-CB 4.32Å; Y80-V177 HydrophobicContact CD2-CG2 4.48Å; Y80-V177 HydrophobicContact CE1-CB 4.06Å; Y80-V177 HydrophobicContact CE1-CG1 4.3Å; Y80-V177 HydrophobicContact CE1-CG2 4.04Å; Y80-V177 HydrophobicContact CE2-CG2 4Å; Y80-V177 PolarHBondContact O-N 3.44Å | ||
| 81 | V | 79.9 | Confident | 63 | Low | 59 Ų | 59 | 100.8 Ų | 100.8 | 36% | 0.358 | 53% | 0.532 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | 131.2 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | D83 T175 | V81-D83 HydrophobicContact CG1-CB 4.33Å; V81-T175 WeakPolarHBondContact CA-O 3.2Å |
| 82 | L | 76.4 | Confident | 65.5 | Low | 57 Ų | 57 | 95.5 Ų | 95.5 | 30% | 0.298 | 50% | 0.497 | S | S | . | . | trans | -84.5 | -24 | -179.1 | -67.6 | 171.1 | 0 | 0 | 0 | 113.3 | Y80 V140 T175 V177 | Y80-L82 HydrophobicContact CD2-CD2 4.12Å; Y80-L82 HydrophobicContact CE2-CD2 3.4Å; Y80-L82 VanDerWaalsContact CE2-CD2 3.4Å; Y80-L82 HydrophobicContact CE2-CG 4.39Å; L82-V140 HydrophobicContact CD1-CG1 3.79Å; L82-T175 WeakPolarHBondContact CB-OG1 3.49Å; L82-T175 PolarHBondContact N-O 2.86Å; L82-V177 HydrophobicContact CD1-CG2 3.74Å; L82-V177 HydrophobicContact CD2-CG2 3.73Å; L82-V177 HydrophobicContact CG-CG2 3.67Å | ||
| 83 | D | 76.3 | Confident | 68 | Low | 24 Ų | 24 | 87.4 Ų | 87.4 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -72.1 | 137.4 | -176.1 | -65.3 | -68.1 | 0 | 0 | 0 | 111.9 | V81 K163 Q174 T175 | V81-D83 HydrophobicContact CG1-CB 4.33Å; D83-K163 IonicContact OD1-NZ 2.66Å; D83-K163 PolarHBondContact OD1-NZ 3.26Å; D83-Q174 WeakPolarHBondContact OD2-CA 3.43Å; D83-T175 PolarHBondContact OD2-N 3.19Å; D83-T175 PolarHBondContact OD2-OG1 2.94Å |
| 84 | P | 69.8 | Low | 70.3 | Confident | 105 Ų | 105 | 87.6 Ų | 87.6 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 144.1 | -179.4 | 26.2 | -33.9 | 0 | 0 | 0 | 110.8 | Q104 | P84-Q104 PolarHBondContact O-NE2 3.45Š|
| 85 | K | 65.2 | Low | 72.6 | Confident | 186 Ų | 186 | 83 Ų | 83 | 81% | 0.809 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 133.7 | 173.3 | -68.3 | -178 | -179.4 | 179 | 0 | 109.2 | ||
| 86 | P | 64.3 | Low | 74.3 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 146 | -178.7 | 25.8 | -34.4 | 0 | 0 | 0 | 110.4 | Q104 | P86-Q104 VanDerWaalsContact CD-CD 3.49Å; P86-Q104 HydrophobicContact CG-CG 4.48Å |
| 87 | P | 67.8 | Low | 75.9 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 151.5 | 174.6 | 25.8 | -33 | 0 | 0 | 0 | 110.5 | L89 | P87-L89 PolarHBondContact O-N 3.34Š|
| 88 | P | 75 | Confident | 76.7 | Confident | 109 Ų | 109 | 79 Ų | 79 | 71% | 0.708 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 140.2 | 179.1 | 25.2 | -34.2 | 0 | 0 | 0 | 110.8 | T90 | P88-T90 PolarHBondContact O-N 2.99Š|
| 89 | L | 78.1 | Confident | 77 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 42% | 0.419 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 130 | -177.8 | -62.3 | 175.8 | 0 | 0 | 0 | 111.4 | P87 Q93 K94 P100 P101 | P87-L89 PolarHBondContact O-N 3.34Å; L89-Q93 HydrophobicContact CB-CB 4.47Å; L89-K94 HydrophobicContact CB-CG 4.16Å; L89-P100 HydrophobicContact CD2-CB 4.39Å; L89-P101 VanDerWaalsContact CD2-CD 3.48Å; L89-P101 HydrophobicContact CD2-CG 3.99Å |
| 90 | T | 83.5 | Confident | 76.7 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 6% | 0.061 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 158 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | H24 P88 A92 Q93 K94 | H24-T90 PolarHBondContact ND1-OG1 3.27Å; P88-T90 PolarHBondContact O-N 2.99Å; T90-A92 PolarHBondContact O-N 2.82Å; T90-Q93 PolarHBondContact O-N 3.09Å; T90-Q93 VanDerWaalsContact O-N 3.1Å; T90-Q93 VanDerWaalsContact OG1-CG 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.48Å; T90-Q93 PolarHBondContact OG1-N 3.26Å; T90-Q93 PolarHBondContact OG1-OE1 3.38Å; T90-K94 PolarHBondContact O-N 3.28Å |
| 91 | L | 83 | Confident | 76.2 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 45% | 0.445 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 177.8 | -174.4 | 63.3 | 0 | 0 | 0 | 111.1 | A20 Q93 K94 L95 | A20-L91 HydrophobicContact CB-CB 4.14Å; A20-L91 HydrophobicContact CB-CD2 4.08Å; A20-L91 HydrophobicContact CB-CG 4.03Å; L91-Q93 VanDerWaalsContact C-N 3.34Å; L91-Q93 PolarHBondContact O-N 2.99Å; L91-K94 PolarHBondContact O-N 2.62Å; L91-L95 HydrophobicContact CD1-CD1 4.29Å; L91-L95 HydrophobicContact CD1-CG 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.91Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.4Å |
| 92 | A | 84.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A20 H24 T90 L95 G96 L97 I98 | A20-A92 HydrophobicContact CB-CB 4.16Å; A20-A92 WeakPolarHBondContact O-CB 3.48Å; H24-A92 HydrophobicContact CB-CB 3.83Å; T90-A92 PolarHBondContact O-N 2.82Å; A92-L95 PolarHBondContact O-N 3.47Å; A92-G96 PolarHBondContact O-N 3.09Å; A92-L97 HydrophobicContact CB-CB 4.47Å; A92-L97 PolarHBondContact O-N 3.37Å; A92-I98 HydrophobicContact CB-CD1 4.46Å |
| 93 | Q | 84.9 | Confident | 75.3 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 16% | 0.159 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.3 | -38 | 175.7 | -73.7 | 163.7 | -29.5 | 0 | 0 | 111.9 | H24 L89 T90 L91 L95 G96 I98 | H24-Q93 PolarHBondContact CE1-NE2 2.8Å; L89-Q93 HydrophobicContact CB-CB 4.47Å; T90-Q93 PolarHBondContact O-N 3.09Å; T90-Q93 VanDerWaalsContact O-N 3.1Å; T90-Q93 VanDerWaalsContact OG1-CG 3.28Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.48Å; T90-Q93 PolarHBondContact OG1-N 3.26Å; T90-Q93 PolarHBondContact OG1-OE1 3.38Å; L91-Q93 VanDerWaalsContact C-N 3.34Å; L91-Q93 PolarHBondContact O-N 2.99Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; Q93-G96 PolarHBondContact O-N 3.25Å; Q93-I98 WeakPolarHBondContact CA-O 3.36Å; Q93-I98 HydrophobicContact CG-CB 4.38Å; Q93-I98 HydrophobicContact CG-CG2 4.38Å |
| 94 | K | 83.1 | Confident | 75.3 | Confident | 155 Ų | 155 | 80.9 Ų | 80.9 | 67% | 0.674 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.2 | -33 | 175.3 | -69.8 | -175.6 | 178.7 | -173.6 | 0 | 112.8 | L89 T90 L91 G96 | L89-K94 HydrophobicContact CB-CG 4.16Å; T90-K94 PolarHBondContact O-N 3.28Å; L91-K94 PolarHBondContact O-N 2.62Å; K94-G96 VanDerWaalsContact C-N 3.26Å |
| 95 | L | 82.7 | Confident | 75.7 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -0 | 177.1 | -65.9 | 175.1 | 0 | 0 | 0 | 113.1 | V16 A20 L91 A92 Q93 L97 | V16-L95 HydrophobicContact CG1-CD1 4.31Å; A20-L95 HydrophobicContact CB-CD1 4.17Å; L91-L95 HydrophobicContact CD1-CD1 4.29Å; L91-L95 HydrophobicContact CD1-CG 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.91Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.4Å; A92-L95 PolarHBondContact O-N 3.47Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; L95-L97 HydrophobicContact CB-CD1 4.36Å; L95-L97 HydrophobicContact CB-CG 4.23Å; L95-L97 PolarHBondContact O-N 2.99Å |
| 96 | G | 78.4 | Confident | 76.5 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A92 Q93 K94 I98 | A92-G96 PolarHBondContact O-N 3.09Å; Q93-G96 PolarHBondContact O-N 3.25Å; K94-G96 VanDerWaalsContact C-N 3.26Å; G96-I98 VanDerWaalsContact C-N 3.29Å |
| 97 | L | 80.4 | Confident | 77.4 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 40% | 0.398 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -72.8 | -27.1 | 175.7 | -61 | 172.2 | 0 | 0 | 0 | 111.6 | N17 A92 L95 | N17-L97 HydrophobicContact CB-CD1 3.59Å; N17-L97 HydrophobicContact CB-CD2 4.32Å; A92-L97 HydrophobicContact CB-CB 4.47Å; A92-L97 PolarHBondContact O-N 3.37Å; L95-L97 HydrophobicContact CB-CD1 4.36Å; L95-L97 HydrophobicContact CB-CG 4.23Å; L95-L97 PolarHBondContact O-N 2.99Å |
| 98 | I | 75.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 26% | 0.256 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -135.1 | 137.7 | 176.1 | -63.3 | 178.6 | 0 | 0 | 0 | 107.8 | L21 H24 A92 Q93 G96 | L21-I98 HydrophobicContact CD1-CD1 3.6Å; L21-I98 HydrophobicContact CD1-CG1 4.1Å; H24-I98 HydrophobicContact CB-CD1 4.19Å; H24-I98 WeakPolarHBondContact CD2-CD1 3.36Å; H24-I98 WeakPolarHBondContact NE2-CD1 3.38Å; A92-I98 HydrophobicContact CB-CD1 4.46Å; Q93-I98 WeakPolarHBondContact CA-O 3.36Å; Q93-I98 HydrophobicContact CG-CB 4.38Å; Q93-I98 HydrophobicContact CG-CG2 4.38Å; G96-I98 VanDerWaalsContact C-N 3.29Å |
| 99 | G | 73 | Confident | 78.7 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 140.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 100 | P | 70.6 | Confident | 79.1 | Confident | 91 Ų | 91 | 69 Ų | 69 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 150.3 | 173.9 | 26.5 | -33.1 | 0 | 0 | 0 | 110.7 | L89 | L89-P100 HydrophobicContact CD2-CB 4.39Š|
| 101 | P | 68.3 | Low | 79.2 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 153.5 | 175.1 | 28.1 | -33.6 | 0 | 0 | 0 | 110.4 | L89 | L89-P101 VanDerWaalsContact CD2-CD 3.48Å; L89-P101 HydrophobicContact CD2-CG 3.99Å |
| 102 | P | 68.9 | Low | 79.4 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 67% | 0.669 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 132 | 178.1 | -23.1 | 31.8 | 0 | 0 | 0 | 111 | ||
| 103 | P | 68.1 | Low | 79.6 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 73% | 0.734 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 145.3 | 179.7 | 24.1 | -31.8 | 0 | 0 | 0 | 111.3 | Q174 | P103-Q174 PolarHBondContact O-NE2 2.85Š|
| 104 | Q | 75.8 | Confident | 79.7 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 146.1 | 168.3 | -71.5 | -168.6 | -29.5 | 0 | 0 | 109.8 | P84 P86 S106 | P84-Q104 PolarHBondContact O-NE2 3.45Å; P86-Q104 VanDerWaalsContact CD-CD 3.49Å; P86-Q104 HydrophobicContact CG-CG 4.48Å; Q104-S106 PolarHBondContact O-N 3.18Å |
| 105 | L | 77.9 | Confident | 79.9 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 136.6 | 177.5 | -69.7 | 178.2 | 0 | 0 | 0 | 109.8 | E109 W110 V113 | L105-E109 WeakPolarHBondContact CA-OE2 3.36Å; L105-E109 HydrophobicContact CB-CB 4.3Å; L105-E109 HydrophobicContact CD2-CB 4.22Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.42Å; L105-W110 HydrophobicContact CB-CG 4.35Å; L105-W110 HydrophobicContact CD1-CD2 4.3Å; L105-W110 HydrophobicContact CD1-CZ2 4.24Å; L105-V113 HydrophobicContact CD1-CG2 4.46Å |
| 106 | S | 82.9 | Confident | 80.2 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 164.6 | 175.8 | 79 | 0 | 0 | 0 | 0 | 111.1 | Q104 D108 E109 W110 | Q104-S106 PolarHBondContact O-N 3.18Å; S106-D108 PolarHBondContact O-N 3.22Å; S106-D108 PolarHBondContact OG-N 3.32Å; S106-E109 PolarHBondContact N-OE2 2.92Å; S106-E109 PolarHBondContact O-N 3.14Å; S106-E109 VanDerWaalsContact OG-CG 3.3Å; S106-E109 WeakPolarHBondContact OG-CG 3.36Å; S106-E109 PolarHBondContact OG-N 3.35Å; S106-E109 VanDerWaalsContact OG-N 3.14Å; S106-W110 VanDerWaalsContact O-CD1 3.26Å; S106-W110 PolarHBondContact O-N 3.22Å |
| 107 | S | 81.7 | Confident | 80.7 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 65% | 0.65 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.4 | -35.8 | 175.7 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | W110 E111 | S107-W110 PolarHBondContact O-N 3.34Å; S107-E111 PolarHBondContact O-N 3.23Å; S107-E111 VanDerWaalsContact O-N 3.08Å |
| 108 | D | 83.6 | Confident | 80.9 | Confident | 122 Ų | 122 | 69.7 Ų | 69.7 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.3 | -42.8 | -178.9 | -58.2 | -26.1 | 0 | 0 | 0 | 110.9 | S106 W110 E111 E112 | S106-D108 PolarHBondContact O-N 3.22Å; S106-D108 PolarHBondContact OG-N 3.32Å; D108-W110 VanDerWaalsContact C-N 3.26Å; D108-W110 PolarHBondContact O-N 2.86Å; D108-E111 WeakPolarHBondContact O-CB 3.22Å; D108-E111 PolarHBondContact O-N 3.19Å; D108-E112 PolarHBondContact O-N 2.88Å |
| 109 | E | 86.5 | Confident | 81.4 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 173.8 | -71.8 | 170.3 | 170.9 | 0 | 0 | 111.7 | L105 S106 E111 E112 V113 | L105-E109 WeakPolarHBondContact CA-OE2 3.36Å; L105-E109 HydrophobicContact CB-CB 4.3Å; L105-E109 HydrophobicContact CD2-CB 4.22Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.42Å; S106-E109 PolarHBondContact N-OE2 2.92Å; S106-E109 PolarHBondContact O-N 3.14Å; S106-E109 VanDerWaalsContact OG-CG 3.3Å; S106-E109 WeakPolarHBondContact OG-CG 3.36Å; S106-E109 PolarHBondContact OG-N 3.35Å; S106-E109 VanDerWaalsContact OG-N 3.14Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E112 PolarHBondContact O-N 3.28Å; E109-V113 VanDerWaalsContact O-CG2 3.23Å; E109-V113 WeakPolarHBondContact O-CG2 3.26Å; E109-V113 PolarHBondContact O-N 3.4Å |
| 110 | W | 86.6 | Confident | 81.9 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 2% | 0.019 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 174.1 | -88.9 | 115.1 | 0 | 0 | 0 | 113.1 | L105 S106 S107 D108 V113 K114 L141 Q174 R176 | L105-W110 HydrophobicContact CB-CG 4.35Å; L105-W110 HydrophobicContact CD1-CD2 4.3Å; L105-W110 HydrophobicContact CD1-CZ2 4.24Å; S106-W110 VanDerWaalsContact O-CD1 3.26Å; S106-W110 PolarHBondContact O-N 3.22Å; S107-W110 PolarHBondContact O-N 3.34Å; D108-W110 VanDerWaalsContact C-N 3.26Å; D108-W110 PolarHBondContact O-N 2.86Å; W110-V113 HydrophobicContact CE3-CB 4.35Å; W110-V113 HydrophobicContact CE3-CG1 4.38Å; W110-V113 HydrophobicContact CZ3-CG1 4.36Å; W110-V113 PolarHBondContact O-N 3.22Å; W110-K114 WeakPolarHBondContact O-CB 3.12Å; W110-K114 PolarHBondContact O-N 3.19Å; W110-L141 HydrophobicContact CE3-CD2 4.31Å; W110-L141 HydrophobicContact CZ3-CB 4.48Å; W110-L141 HydrophobicContact CZ3-CD2 4.25Å; W110-L141 HydrophobicContact CZ3-CG 4.11Å; W110-Q174 HydrophobicContact CH2-CB 4.26Å; W110-Q174 WeakPolarHBondContact CH2-O 3.37Å; W110-Q174 HydrophobicContact CZ2-CB 3.67Å; W110-R176 VanDerWaalsContact CB-NH1 3.31Å; W110-R176 HydrophobicContact CD2-CB 4.09Å; W110-R176 HydrophobicContact CE3-CB 3.77Å; W110-R176 HydrophobicContact CE3-CG 4.42Å; W110-R176 HydrophobicContact CH2-CB 3.59Å; W110-R176 HydrophobicContact CZ2-CB 3.91Å; W110-R176 HydrophobicContact CZ3-CB 3.52Å |
| 111 | E | 85.6 | Confident | 82.5 | Confident | 77 Ų | 77 | 73.9 Ų | 73.9 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 172.4 | -167.9 | 57.1 | -141.4 | 0 | 0 | 110.2 | S107 D108 E109 V113 K114 Q115 | S107-E111 PolarHBondContact O-N 3.23Å; S107-E111 VanDerWaalsContact O-N 3.08Å; D108-E111 WeakPolarHBondContact O-CB 3.22Å; D108-E111 PolarHBondContact O-N 3.19Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 2.79Å; E111-K114 CarbonylContact O-C 3.58Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.37Å; E111-K114 VanDerWaalsContact O-N 3.11Å; E111-Q115 VanDerWaalsContact O-CG 3.32Å; E111-Q115 WeakPolarHBondContact O-CG 3.1Å; E111-Q115 PolarHBondContact O-N 3.18Å; E111-Q115 PolarHBondContact OE1-NE2 3.03Å |
| 112 | E | 88.6 | Confident | 83.1 | Confident | 126 Ų | 126 | 73.1 Ų | 73.1 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 174.1 | -66.5 | -178.9 | 179.1 | 0 | 0 | 112.9 | D108 E109 K114 Q115 R116 | D108-E112 PolarHBondContact O-N 2.88Å; E109-E112 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-Q115 PolarHBondContact O-N 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 2.94Å |
| 113 | V | 87.5 | Confident | 83.6 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | L105 E109 W110 E111 R116 S117 L141 L142 | L105-V113 HydrophobicContact CD1-CG2 4.46Å; E109-V113 VanDerWaalsContact O-CG2 3.23Å; E109-V113 WeakPolarHBondContact O-CG2 3.26Å; E109-V113 PolarHBondContact O-N 3.4Å; W110-V113 HydrophobicContact CE3-CB 4.35Å; W110-V113 HydrophobicContact CE3-CG1 4.38Å; W110-V113 HydrophobicContact CZ3-CG1 4.36Å; W110-V113 PolarHBondContact O-N 3.22Å; E111-V113 PolarHBondContact O-N 2.79Å; V113-R116 VanDerWaalsContact CG2-NH2 3.32Å; V113-R116 PolarHBondContact O-N 3.43Å; V113-S117 PolarHBondContact O-N 3.41Å; V113-L141 HydrophobicContact CG1-CD1 4.26Å; V113-L141 HydrophobicContact CG1-CD2 4.01Å; V113-L141 HydrophobicContact CG1-CG 4.09Å; V113-L142 WeakPolarHBondContact CG1-O 3.49Å |
| 114 | K | 87.6 | Confident | 84.4 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 11% | 0.109 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 177.3 | -173.6 | 176.3 | -177.9 | 173.7 | 0 | 111.5 | E79 W110 E111 E112 R116 S117 L118 L141 D180 | E79-K114 VanDerWaalsContact CD-NZ 3.33Å; E79-K114 IonicContact OE1-NZ 2.88Å; E79-K114 PolarHBondContact OE1-NZ 2.75Å; E79-K114 IonicContact OE2-NZ 2.85Å; E79-K114 PolarHBondContact OE2-NZ 3.2Å; W110-K114 WeakPolarHBondContact O-CB 3.12Å; W110-K114 PolarHBondContact O-N 3.19Å; E111-K114 CarbonylContact O-C 3.58Å; E111-K114 WeakPolarHBondContact O-CB 3.32Å; E111-K114 PolarHBondContact O-N 3.37Å; E111-K114 VanDerWaalsContact O-N 3.11Å; E112-K114 VanDerWaalsContact C-N 3.31Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.04Å; K114-S117 WeakPolarHBondContact O-CB 3.4Å; K114-S117 PolarHBondContact O-N 2.82Å; K114-S117 VanDerWaalsContact O-N 3.14Å; K114-L118 HydrophobicContact CG-CD1 4.29Å; K114-L118 HydrophobicContact CG-CG 4.48Å; K114-L118 WeakPolarHBondContact O-CG 3.13Å; K114-L118 PolarHBondContact O-N 3.41Å; K114-L141 HydrophobicContact CB-CD2 4.02Å; K114-L141 HydrophobicContact CG-CD2 4.48Å; K114-D180 WeakPolarHBondContact CE-OD2 3.49Å; K114-D180 IonicContact NZ-OD1 2.98Å; K114-D180 PolarHBondContact NZ-OD1 2.84Å; K114-D180 IonicContact NZ-OD2 2.86Å |
| 115 | Q | 87.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176.4 | -67.9 | -53.5 | -41.9 | 0 | 0 | 111.7 | E111 E112 S117 L118 L119 | E111-Q115 VanDerWaalsContact O-CG 3.32Å; E111-Q115 WeakPolarHBondContact O-CG 3.1Å; E111-Q115 PolarHBondContact O-N 3.18Å; E111-Q115 PolarHBondContact OE1-NE2 3.03Å; E112-Q115 PolarHBondContact O-N 3.45Å; Q115-S117 PolarHBondContact O-N 3.16Å; Q115-L118 PolarHBondContact O-N 3.48Å; Q115-L119 WeakPolarHBondContact O-CG 3.27Å; Q115-L119 PolarHBondContact O-N 2.92Å |
| 116 | R | 89.1 | Confident | 85.5 | Confident | 121 Ų | 121 | 69.3 Ų | 69.3 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174 | -75.4 | -174.7 | -69.9 | 160.5 | -7.1 | 112.8 | E112 V113 K114 L118 L119 Q120 | E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 2.94Å; V113-R116 VanDerWaalsContact CG2-NH2 3.32Å; V113-R116 PolarHBondContact O-N 3.43Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.04Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 3.2Å; R116-L119 PolarHBondContact O-N 3.03Å; R116-Q120 WeakPolarHBondContact O-CG 3.42Å; R116-Q120 PolarHBondContact O-N 3.04Å |
| 117 | S | 88 | Confident | 85.9 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | V113 K114 Q115 Q120 G121 D122 S145 V147 | V113-S117 PolarHBondContact O-N 3.41Å; K114-S117 WeakPolarHBondContact O-CB 3.4Å; K114-S117 PolarHBondContact O-N 2.82Å; K114-S117 VanDerWaalsContact O-N 3.14Å; Q115-S117 PolarHBondContact O-N 3.16Å; S117-Q120 PolarHBondContact O-N 3.33Å; S117-G121 PolarHBondContact O-N 3.35Å; S117-D122 PolarHBondContact O-N 2.84Å; S117-D122 PolarHBondContact OG-OD2 2.72Å; S117-S145 WeakPolarHBondContact CB-O 3.37Å; S117-S145 PolarHBondContact OG-O 3.18Å; S117-V147 VanDerWaalsContact OG-CG2 3.26Å; S117-V147 WeakPolarHBondContact OG-CG2 3.33Å |
| 118 | L | 85.6 | Confident | 86.3 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.7 | -71.1 | 174 | 0 | 0 | 0 | 112.3 | K114 Q115 R116 Q120 G121 | K114-L118 HydrophobicContact CG-CD1 4.29Å; K114-L118 HydrophobicContact CG-CG 4.48Å; K114-L118 WeakPolarHBondContact O-CG 3.13Å; K114-L118 PolarHBondContact O-N 3.41Å; Q115-L118 PolarHBondContact O-N 3.48Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 3.2Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.04Å; L118-G121 PolarHBondContact O-N 3.43Å; L118-G121 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 85.8 | Confident | 86.7 | Confident | 151 Ų | 151 | 62.6 Ų | 62.6 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64 | -36.1 | 175.7 | -71.2 | 172.2 | 0 | 0 | 0 | 112.2 | Q115 R116 G121 | Q115-L119 WeakPolarHBondContact O-CG 3.27Å; Q115-L119 PolarHBondContact O-N 2.92Å; R116-L119 PolarHBondContact O-N 3.03Å; L119-G121 VanDerWaalsContact C-N 3.27Å |
| 120 | Q | 83.1 | Confident | 87 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.6 | -19.3 | 175.2 | -71 | 176.2 | -22.4 | 0 | 0 | 112.6 | R116 S117 L118 D122 | R116-Q120 WeakPolarHBondContact O-CG 3.42Å; R116-Q120 PolarHBondContact O-N 3.04Å; S117-Q120 PolarHBondContact O-N 3.33Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.04Å; Q120-D122 VanDerWaalsContact C-N 3.32Å |
| 121 | G | 83.3 | Confident | 87.2 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 25.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S117 L118 L119 S123 V124 Q125 | S117-G121 PolarHBondContact O-N 3.35Å; L118-G121 PolarHBondContact O-N 3.43Å; L118-G121 VanDerWaalsContact O-N 3.12Å; L119-G121 VanDerWaalsContact C-N 3.27Å; G121-S123 PolarHBondContact O-N 3.09Å; G121-V124 WeakPolarHBondContact O-CB 2.97Å; G121-V124 PolarHBondContact O-N 3.44Å; G121-Q125 PolarHBondContact O-N 2.9Å |
| 122 | D | 81.1 | Confident | 87.5 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35.2 | -174.3 | -72.2 | -20.7 | 0 | 0 | 0 | 112.6 | S117 Q120 V124 Q125 V147 | S117-D122 PolarHBondContact O-N 2.84Å; S117-D122 PolarHBondContact OG-OD2 2.72Å; Q120-D122 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 2.86Å; D122-Q125 PolarHBondContact O-N 3.19Å; D122-V147 HydrophobicContact CB-CB 4.18Å; D122-V147 HydrophobicContact CB-CG2 3.88Å |
| 123 | S | 81.1 | Confident | 87.5 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.8 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 114 | G121 | G121-S123 PolarHBondContact O-N 3.09Š|
| 124 | V | 84 | Confident | 87.5 | Confident | 81 Ų | 81 | 68 Ų | 68 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -35.1 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | G121 D122 L184 | G121-V124 WeakPolarHBondContact O-CB 2.97Å; G121-V124 PolarHBondContact O-N 3.44Å; D122-V124 PolarHBondContact O-N 2.86Å; V124-L184 HydrophobicContact CG2-CD1 3.8Å |
| 125 | Q | 85.6 | Confident | 87.5 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -71.4 | 152.8 | 178 | -61.7 | -57.6 | -31.7 | 0 | 0 | 110.8 | G121 D122 F134 | G121-Q125 PolarHBondContact O-N 2.9Å; D122-Q125 PolarHBondContact O-N 3.19Å; Q125-F134 WeakPolarHBondContact O-CD2 3.41Å; Q125-F134 WeakPolarHBondContact O-CE2 3.49Å |
| 126 | P | 90.6 | Very high | 87.5 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 156.3 | 174.8 | 28.5 | -34.7 | 0 | 0 | 0 | 111.1 | P128 E132 | P126-P128 WeakPolarHBondContact O-CD 3.42Å; P126-E132 CarbonylContact C-O 3.58Å; P126-E132 WeakPolarHBondContact CA-O 3.41Å; P126-E132 WeakPolarHBondContact CB-O 3.44Å |
| 127 | C | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 126.7 | 177.5 | 179 | 0 | 0 | 0 | 0 | 110.5 | I129 C130 K131 E132 F134 H149 | C127-I129 PolarHBondContact O-N 2.98Å; C127-C130 VanDerWaalsContact CB-SG 3.6Å; C127-C130 PolarHBondContact O-N 3.23Å; C127-K131 WeakPolarHBondContact O-CA 3.31Å; C127-K131 PolarHBondContact O-N 3.32Å; C127-E132 PolarHBondContact N-O 3.1Å; C127-F134 HydrophobicContact CB-CD1 4.31Å; C127-F134 HydrophobicContact CB-CE1 3.61Å; C127-F134 HydrophobicContact CB-CZ 3.88Å; C127-H149 VanDerWaalsContact CB-CE1 3.5Å; C127-H149 WeakPolarHBondContact CB-CE1 3.17Å; C127-H149 VanDerWaalsContact CB-ND1 3.3Å; C127-H149 WeakPolarHBondContact CB-ND1 3.2Å |
| 128 | P | 90.9 | Very high | 87.4 | Confident | 61 Ų | 61 | 73.3 Ų | 73.3 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.9 | -175.6 | -23.5 | 32 | 0 | 0 | 0 | 115.3 | P126 F148 L167 | P126-P128 WeakPolarHBondContact O-CD 3.42Å; P128-F148 HydrophobicContact CB-CE1 4.03Å; P128-F148 HydrophobicContact CG-CD1 4.32Å; P128-F148 HydrophobicContact CG-CE1 3.88Å; P128-L167 HydrophobicContact CB-CD1 4.46Å; P128-L167 HydrophobicContact CB-CD2 4Å; P128-L167 HydrophobicContact CB-CG 4.43Å; P128-L167 HydrophobicContact CG-CD1 3.96Å; P128-L167 HydrophobicContact CG-CD2 4.34Å; P128-L167 HydrophobicContact CG-CG 4.45Å |
| 129 | I | 91.8 | Very high | 87.6 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 32% | 0.323 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -52.9 | -179.2 | -59.8 | 168.4 | 0 | 0 | 0 | 110.9 | C127 F148 C152 F156 P166 | C127-I129 PolarHBondContact O-N 2.98Å; I129-F148 HydrophobicContact CD1-CB 4.34Å; I129-F148 HydrophobicContact CD1-CD1 3.58Å; I129-F148 HydrophobicContact CD1-CE1 4.18Å; I129-F148 HydrophobicContact CD1-CG 4.12Å; I129-F148 HydrophobicContact CG1-CD1 3.75Å; I129-F148 HydrophobicContact CG1-CE1 4.06Å; I129-C152 HydrophobicContact CB-CB 3.99Å; I129-C152 HydrophobicContact CD1-CB 3.82Å; I129-C152 HydrophobicContact CG2-CB 4Å; I129-F156 HydrophobicContact CD1-CB 4.4Å; I129-P166 HydrophobicContact CD1-CG 4.05Å; I129-P166 HydrophobicContact CG1-CG 4.34Å |
| 130 | C | 92.1 | Very high | 87.9 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -10.3 | -176.8 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | C127 E132 H149 | C127-C130 VanDerWaalsContact CB-SG 3.6Å; C127-C130 PolarHBondContact O-N 3.23Å; C130-E132 PolarHBondContact O-N 3.34Å; C130-H149 PolarHBondContact SG-CE1 3.4Å; C130-H149 PolarHBondContact SG-ND1 2.91Å |
| 131 | K | 91 | Very high | 88.4 | Confident | 176 Ų | 176 | 57.3 Ų | 57.3 | 77% | 0.765 | 30% | 0.298 | S | S | * | . | trans | 61.4 | 20.9 | -176.6 | -52.7 | -176.7 | 179.3 | -175.1 | 0 | 114.8 | C127 | C127-K131 WeakPolarHBondContact O-CA 3.31Å; C127-K131 PolarHBondContact O-N 3.32Å | ||
| 132 | E | 90.9 | Very high | 88.8 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | trans | -102.1 | 152.5 | 177.4 | -63.7 | 176 | -170.4 | 0 | 0 | 111.7 | P126 C127 C130 R137 | P126-E132 CarbonylContact C-O 3.58Å; P126-E132 WeakPolarHBondContact CA-O 3.41Å; P126-E132 WeakPolarHBondContact CB-O 3.44Å; C127-E132 PolarHBondContact N-O 3.1Å; C130-E132 PolarHBondContact O-N 3.34Å; E132-R137 IonicContact OE2-CZ 3.15Å; E132-R137 IonicContact OE2-NH1 3.95Å; E132-R137 PolarHBondContact OE2-NH1 3.38Å; E132-R137 IonicContact OE2-NH2 2.64Å; E132-R137 PolarHBondContact OE2-NH2 3.38Å | ||
| 133 | E | 89.7 | Confident | 89.2 | Confident | 95 Ų | 95 | 55.5 Ų | 55.5 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | trans | -60.7 | 152.3 | 171.1 | -69.5 | -165.3 | -158 | 0 | 0 | 111.1 | E135 H149 K188 | E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 HydrophobicContact CB-CG 4.17Å; E133-E135 PolarHBondContact O-N 2.91Å; E133-H149 PolarHBondContact O-NE2 3.23Å; E133-K188 IonicContact OE1-NZ 3.02Å; E133-K188 IonicContact OE2-NZ 2.91Å; E133-K188 PolarHBondContact OE2-NZ 2.97Å | ||
| 134 | F | 88.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -70.6 | -30.5 | -177.5 | -69.7 | -70 | 0 | 0 | 0 | 114.2 | Q125 C127 L136 R137 Q139 V147 H149 | Q125-F134 WeakPolarHBondContact O-CD2 3.41Å; Q125-F134 WeakPolarHBondContact O-CE2 3.49Å; C127-F134 HydrophobicContact CB-CD1 4.31Å; C127-F134 HydrophobicContact CB-CE1 3.61Å; C127-F134 HydrophobicContact CB-CZ 3.88Å; F134-L136 PolarHBondContact O-N 2.95Å; F134-R137 WeakPolarHBondContact O-CB 3.42Å; F134-R137 PolarHBondContact O-N 3.39Å; F134-Q139 HydrophobicContact CB-CG 3.85Å; F134-Q139 HydrophobicContact CD1-CG 3.43Å; F134-Q139 VanDerWaalsContact CD1-CG 3.43Å; F134-Q139 HydrophobicContact CE1-CG 4.11Å; F134-Q139 HydrophobicContact CG-CG 3.74Å; F134-V147 HydrophobicContact CE1-CG1 4.09Å; F134-V147 HydrophobicContact CE2-CG1 4.17Å; F134-V147 HydrophobicContact CZ-CB 4.3Å; F134-V147 HydrophobicContact CZ-CG1 3.73Å; F134-H149 WeakPolarHBondContact CA-NE2 3.43Å; F134-H149 AromaticContact CD1-CD2 3.57Å; F134-H149 AromaticContact CD1-NE2 3.58Å | ||
| 135 | E | 87.8 | Confident | 89.9 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | -132.4 | 178.8 | -57.2 | -179.3 | 152.6 | 0 | 0 | 112 | E133 R137 A182 F185 | E133-E135 VanDerWaalsContact C-N 3.35Å; E133-E135 HydrophobicContact CB-CG 4.17Å; E133-E135 PolarHBondContact O-N 2.91Å; E135-R137 IonicContact OE2-NE 3.14Å; E135-R137 IonicContact OE2-NH2 2.86Å; E135-A182 WeakPolarHBondContact O-CA 3.49Å; E135-A182 WeakPolarHBondContact O-CB 3.48Å; E135-A182 PolarHBondContact O-N 3.5Å; E135-F185 HydrophobicContact CB-CD1 4.49Å; E135-F185 HydrophobicContact CB-CD2 4.22Å; E135-F185 HydrophobicContact CB-CE2 4.25Å; E135-F185 HydrophobicContact CB-CG 4.34Å; E135-F185 HydrophobicContact CB-CZ 4.39Å; E135-F185 HydrophobicContact CG-CD2 4.1Å; E135-F185 HydrophobicContact CG-CE2 3.91Å; E135-F185 HydrophobicContact CG-CZ 4.36Å |
| 136 | L | 87.4 | Confident | 90.1 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.7 | 177.5 | -61.6 | 175.7 | 0 | 0 | 0 | 113.5 | F134 A182 F185 R186 | F134-L136 PolarHBondContact O-N 2.95Å; L136-A182 HydrophobicContact CD2-CB 4.48Å; L136-F185 HydrophobicContact CD2-CD1 4.01Å; L136-F185 HydrophobicContact CD2-CE1 4.49Å; L136-F185 HydrophobicContact CG-CD1 4.02Å; L136-F185 HydrophobicContact CG-CE1 4.1Å; L136-R186 HydrophobicContact CD2-CG 4.38Å |
| 137 | R | 86.1 | Confident | 90.2 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.4 | 146.7 | -175 | -59.3 | -176.1 | -144.4 | 165.9 | 5.4 | 110.5 | E132 F134 E135 Q139 | E132-R137 IonicContact OE2-CZ 3.15Å; E132-R137 IonicContact OE2-NH1 3.95Å; E132-R137 PolarHBondContact OE2-NH1 3.38Å; E132-R137 IonicContact OE2-NH2 2.64Å; E132-R137 PolarHBondContact OE2-NH2 3.38Å; F134-R137 WeakPolarHBondContact O-CB 3.42Å; F134-R137 PolarHBondContact O-N 3.39Å; E135-R137 IonicContact OE2-NE 3.14Å; E135-R137 IonicContact OE2-NH2 2.86Å; R137-Q139 PolarHBondContact O-N 3.01Å |
| 138 | P | 87.2 | Confident | 90.3 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | trans | -62.6 | 127.4 | 179.8 | 24.6 | -33.2 | 0 | 0 | 0 | 110.8 | R150 | P138-R150 HydrophobicContact CB-CB 4.23Å; P138-R150 HydrophobicContact CG-CB 4.16Å; P138-R150 PolarHBondContact O-N 3.23Å | ||
| 139 | Q | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 150.8 | 179.4 | -72.2 | 152.8 | 57.2 | 0 | 0 | 110.5 | F134 R137 V147 F148 V177 I178 G181 A182 | F134-Q139 HydrophobicContact CB-CG 3.85Å; F134-Q139 HydrophobicContact CD1-CG 3.43Å; F134-Q139 VanDerWaalsContact CD1-CG 3.43Å; F134-Q139 HydrophobicContact CE1-CG 4.11Å; F134-Q139 HydrophobicContact CG-CG 3.74Å; R137-Q139 PolarHBondContact O-N 3.01Å; Q139-V147 HydrophobicContact CB-CG1 4.3Å; Q139-F148 CarbonylContact C-O 3.53Å; Q139-F148 WeakPolarHBondContact CA-O 3.15Å; Q139-V177 WeakPolarHBondContact O-CA 3.36Å; Q139-I178 HydrophobicContact CB-CD1 4.37Å; Q139-I178 HydrophobicContact CB-CG1 3.69Å; Q139-I178 WeakPolarHBondContact CB-O 3.39Å; Q139-I178 PolarHBondContact O-N 3.48Å; Q139-G181 VanDerWaalsContact OE1-CA 3.24Å; Q139-A182 VanDerWaalsContact NE2-N 3.18Å |
| 140 | V | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.4 | 176.2 | -68.5 | 0 | 0 | 0 | 0 | 109.7 | L82 V147 F148 R150 L153 R176 V177 | L82-V140 HydrophobicContact CD1-CG1 3.79Å; V140-V147 WeakPolarHBondContact O-CA 3.35Å; V140-F148 HydrophobicContact CG2-CB 4.27Å; V140-F148 WeakPolarHBondContact CG2-O 3.32Å; V140-F148 PolarHBondContact N-O 2.93Å; V140-F148 PolarHBondContact O-N 2.9Å; V140-R150 HydrophobicContact CG1-CB 3.91Å; V140-R150 HydrophobicContact CG1-CG 4.16Å; V140-L153 HydrophobicContact CG2-CB 4.12Å; V140-L153 HydrophobicContact CG2-CD2 3.68Å; V140-R176 CarbonylContact C-O 3.52Å; V140-R176 WeakPolarHBondContact CA-O 3.32Å; V140-V177 HydrophobicContact CG1-CG2 4.33Å |
| 141 | L | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.5 | 171.8 | 179.7 | 63.6 | 0 | 0 | 0 | 108.7 | W110 V113 K114 S145 V147 R176 I178 | W110-L141 HydrophobicContact CE3-CD2 4.31Å; W110-L141 HydrophobicContact CZ3-CB 4.48Å; W110-L141 HydrophobicContact CZ3-CD2 4.25Å; W110-L141 HydrophobicContact CZ3-CG 4.11Å; V113-L141 HydrophobicContact CG1-CD1 4.26Å; V113-L141 HydrophobicContact CG1-CD2 4.01Å; V113-L141 HydrophobicContact CG1-CG 4.09Å; K114-L141 HydrophobicContact CB-CD2 4.02Å; K114-L141 HydrophobicContact CG-CD2 4.48Å; L141-S145 WeakPolarHBondContact CD1-O 3.34Å; L141-V147 HydrophobicContact CD1-CG2 3.75Å; L141-R176 PolarHBondContact N-O 2.84Å; L141-R176 PolarHBondContact O-N 3.28Å; L141-I178 HydrophobicContact CB-CD1 4.13Å; L141-I178 HydrophobicContact CB-CG1 4.3Å; L141-I178 HydrophobicContact CB-CG2 3.7Å; L141-I178 HydrophobicContact CD2-CG2 4.19Å |
| 142 | L | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 156.9 | 175.1 | -57 | -167.8 | 0 | 0 | 0 | 111.2 | V113 C144 S145 H146 F148 L153 C165 Y173 Q174 T175 | V113-L142 WeakPolarHBondContact CG1-O 3.49Å; L142-C144 VanDerWaalsContact CB-SG 3.51Å; L142-C144 PolarHBondContact O-N 2.98Å; L142-S145 PolarHBondContact O-N 2.86Å; L142-H146 PolarHBondContact N-O 3.43Å; L142-F148 HydrophobicContact CD1-CD2 4.02Å; L142-F148 HydrophobicContact CD1-CE2 3.63Å; L142-F148 HydrophobicContact CG-CD2 4.19Å; L142-F148 HydrophobicContact CG-CE2 4.16Å; L142-L153 HydrophobicContact CD1-CD1 4.4Å; L142-L153 HydrophobicContact CD2-CD2 3.67Å; L142-C165 HydrophobicContact CD1-CB 4.08Å; L142-Y173 HydrophobicContact CB-CD2 4.5Å; L142-Y173 HydrophobicContact CB-CG 4.49Å; L142-Y173 HydrophobicContact CD1-CD1 4.04Å; L142-Y173 HydrophobicContact CD1-CD2 4.16Å; L142-Y173 HydrophobicContact CD1-CE1 4.06Å; L142-Y173 HydrophobicContact CD1-CE2 4.22Å; L142-Y173 HydrophobicContact CD1-CG 4.08Å; L142-Y173 HydrophobicContact CD2-CD2 3.5Å; L142-Y173 HydrophobicContact CD2-CE2 3.53Å; L142-Y173 HydrophobicContact CD2-CG 4.2Å; L142-Y173 HydrophobicContact CG-CD2 4.27Å; L142-Y173 HydrophobicContact CG-CE2 4.48Å; L142-Q174 CarbonylContact C-O 3.57Å; L142-Q174 WeakPolarHBondContact CA-O 3.28Å; L142-T175 HydrophobicContact CD2-CG2 3.59Å |
| 143 | S | 89 | Confident | 90.7 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 12% | 0.119 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12.2 | 171.5 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | Y173 Q174 | S143-Y173 WeakPolarHBondContact OG-CA 3.49Å; S143-Y173 WeakPolarHBondContact OG-CB 3.47Å; S143-Q174 PolarHBondContact N-O 3.29Å; S143-Q174 PolarHBondContact OG-N 3.41Å; S143-Q174 VanDerWaalsContact OG-N 3.16Å |
| 144 | C | 89.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 10% | 0.101 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 24.1 | 171.6 | 65 | 0 | 0 | 0 | 0 | 113.5 | L142 H146 C165 C168 K170 | L142-C144 VanDerWaalsContact CB-SG 3.51Å; L142-C144 PolarHBondContact O-N 2.98Å; C144-H146 PolarHBondContact O-CE1 3.26Å; C144-H146 PolarHBondContact O-N 3.42Å; C144-H146 PolarHBondContact O-ND1 3.34Å; C144-H146 PolarHBondContact SG-ND1 2.87Å; C144-C165 PolarHBondContact SG-SG 3.27Å; C144-C168 VanDerWaalsContact CB-SG 3.6Å; C144-C168 VanDerWaalsContact SG-SG 3.62Å; C144-K170 HydrophobicContact CB-CB 4.47Å; C144-K170 HydrophobicContact CB-CD 4.01Å |
| 145 | S | 89.8 | Confident | 91 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 62.3 | -5.1 | -179.8 | 65.6 | 0 | 0 | 0 | 0 | 118.1 | S117 L141 L142 | S117-S145 WeakPolarHBondContact CB-O 3.37Å; S117-S145 PolarHBondContact OG-O 3.18Å; L141-S145 WeakPolarHBondContact CD1-O 3.34Å; L142-S145 PolarHBondContact O-N 2.86Å |
| 146 | H | 90.8 | Very high | 91.2 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | trans | -78.3 | 144.6 | 178.5 | -60.8 | 121.2 | 0 | 0 | 0 | 113.9 | L142 C144 F148 C165 L167 C168 | L142-H146 PolarHBondContact N-O 3.43Å; C144-H146 PolarHBondContact O-CE1 3.26Å; C144-H146 PolarHBondContact O-N 3.42Å; C144-H146 PolarHBondContact O-ND1 3.34Å; C144-H146 PolarHBondContact SG-ND1 2.87Å; H146-F148 HydrophobicContact CB-CE2 3.61Å; H146-F148 HydrophobicContact CB-CZ 3.94Å; H146-C165 PolarHBondContact ND1-SG 3.23Å; H146-L167 HydrophobicContact CB-CD1 3.99Å; H146-L167 WeakPolarHBondContact CD2-CD1 3.43Å; H146-C168 VanDerWaalsContact CE1-SG 3.53Å | ||
| 147 | V | 92.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | S117 D122 F134 Q139 V140 L141 I178 | S117-V147 VanDerWaalsContact OG-CG2 3.26Å; S117-V147 WeakPolarHBondContact OG-CG2 3.33Å; D122-V147 HydrophobicContact CB-CB 4.18Å; D122-V147 HydrophobicContact CB-CG2 3.88Å; F134-V147 HydrophobicContact CE1-CG1 4.09Å; F134-V147 HydrophobicContact CE2-CG1 4.17Å; F134-V147 HydrophobicContact CZ-CB 4.3Å; F134-V147 HydrophobicContact CZ-CG1 3.73Å; Q139-V147 HydrophobicContact CB-CG1 4.3Å; V140-V147 WeakPolarHBondContact O-CA 3.35Å; L141-V147 HydrophobicContact CD1-CG2 3.75Å; V147-I178 HydrophobicContact CG1-CD1 3.88Å; V147-I178 HydrophobicContact CG2-CD1 3.92Å |
| 148 | F | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 164.6 | 176.5 | -54.9 | -83.4 | 0 | 0 | 0 | 111.7 | P128 I129 Q139 V140 L142 H146 L153 P166 L167 | P128-F148 HydrophobicContact CB-CE1 4.03Å; P128-F148 HydrophobicContact CG-CD1 4.32Å; P128-F148 HydrophobicContact CG-CE1 3.88Å; I129-F148 HydrophobicContact CD1-CB 4.34Å; I129-F148 HydrophobicContact CD1-CD1 3.58Å; I129-F148 HydrophobicContact CD1-CE1 4.18Å; I129-F148 HydrophobicContact CD1-CG 4.12Å; I129-F148 HydrophobicContact CG1-CD1 3.75Å; I129-F148 HydrophobicContact CG1-CE1 4.06Å; Q139-F148 CarbonylContact C-O 3.53Å; Q139-F148 WeakPolarHBondContact CA-O 3.15Å; V140-F148 HydrophobicContact CG2-CB 4.27Å; V140-F148 WeakPolarHBondContact CG2-O 3.32Å; V140-F148 PolarHBondContact N-O 2.93Å; V140-F148 PolarHBondContact O-N 2.9Å; L142-F148 HydrophobicContact CD1-CD2 4.02Å; L142-F148 HydrophobicContact CD1-CE2 3.63Å; L142-F148 HydrophobicContact CG-CD2 4.19Å; L142-F148 HydrophobicContact CG-CE2 4.16Å; H146-F148 HydrophobicContact CB-CE2 3.61Å; H146-F148 HydrophobicContact CB-CZ 3.94Å; F148-L153 HydrophobicContact CB-CB 4.32Å; F148-L153 HydrophobicContact CD2-CD1 4.14Å; F148-L153 HydrophobicContact CG-CD1 4.5Å; F148-P166 HydrophobicContact CE1-CB 4.21Å; F148-P166 HydrophobicContact CE1-CG 4.12Å; F148-P166 HydrophobicContact CZ-CB 4.21Å; F148-P166 HydrophobicContact CZ-CG 4.04Å; F148-L167 HydrophobicContact CE1-CD1 4.3Å; F148-L167 HydrophobicContact CE1-CG 4.24Å; F148-L167 HydrophobicContact CZ-CD1 3.89Å; F148-L167 HydrophobicContact CZ-CG 3.88Å |
| 149 | H | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140.9 | 163.6 | -62 | 113.4 | 0 | 0 | 0 | 108.9 | C127 C130 E133 F134 A151 C152 L153 | C127-H149 VanDerWaalsContact CB-CE1 3.5Å; C127-H149 WeakPolarHBondContact CB-CE1 3.17Å; C127-H149 VanDerWaalsContact CB-ND1 3.3Å; C127-H149 WeakPolarHBondContact CB-ND1 3.2Å; C130-H149 PolarHBondContact SG-CE1 3.4Å; C130-H149 PolarHBondContact SG-ND1 2.91Å; E133-H149 PolarHBondContact O-NE2 3.23Å; F134-H149 WeakPolarHBondContact CA-NE2 3.43Å; F134-H149 AromaticContact CD1-CD2 3.57Å; F134-H149 AromaticContact CD1-NE2 3.58Å; H149-A151 PolarHBondContact O-N 3.47Å; H149-C152 HydrophobicContact CB-CB 4Å; H149-C152 PolarHBondContact O-N 3.3Å; H149-C152 VanDerWaalsContact O-N 3.14Å; H149-L153 PolarHBondContact O-N 2.96Å |
| 150 | R | 91.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 28% | 0.275 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.5 | -44.5 | 176 | -178 | -179.1 | 171.6 | 137.4 | 1.8 | 112 | Y80 P138 V140 Q154 | Y80-R150 PolarHBondContact OH-NH1 2.93Å; P138-R150 HydrophobicContact CB-CB 4.23Å; P138-R150 HydrophobicContact CG-CB 4.16Å; P138-R150 PolarHBondContact O-N 3.23Å; V140-R150 HydrophobicContact CG1-CB 3.91Å; V140-R150 HydrophobicContact CG1-CG 4.16Å; R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 WeakPolarHBondContact O-CG 3.22Å; R150-Q154 PolarHBondContact O-N 2.88Å |
| 151 | A | 92.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | H149 Q154 A155 | H149-A151 PolarHBondContact O-N 3.47Å; A151-Q154 PolarHBondContact O-N 3.38Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.64Å |
| 152 | C | 92.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 179 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | I129 H149 A155 F156 | I129-C152 HydrophobicContact CB-CB 3.99Å; I129-C152 HydrophobicContact CD1-CB 3.82Å; I129-C152 HydrophobicContact CG2-CB 4Å; H149-C152 HydrophobicContact CB-CB 4Å; H149-C152 PolarHBondContact O-N 3.3Å; H149-C152 VanDerWaalsContact O-N 3.14Å; C152-A155 PolarHBondContact O-N 2.93Å; C152-F156 WeakPolarHBondContact O-CB 3.5Å; C152-F156 PolarHBondContact O-N 2.85Å |
| 153 | L | 92.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.5 | -171.3 | 71.7 | 0 | 0 | 0 | 111.4 | V140 L142 F148 H149 A155 F156 E157 P166 Y173 T175 | V140-L153 HydrophobicContact CG2-CB 4.12Å; V140-L153 HydrophobicContact CG2-CD2 3.68Å; L142-L153 HydrophobicContact CD1-CD1 4.4Å; L142-L153 HydrophobicContact CD2-CD2 3.67Å; F148-L153 HydrophobicContact CB-CB 4.32Å; F148-L153 HydrophobicContact CD2-CD1 4.14Å; F148-L153 HydrophobicContact CG-CD1 4.5Å; H149-L153 PolarHBondContact O-N 2.96Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.23Å; L153-F156 WeakPolarHBondContact O-CB 3.37Å; L153-F156 PolarHBondContact O-N 3.45Å; L153-E157 WeakPolarHBondContact O-CG 3.26Å; L153-E157 PolarHBondContact O-N 3.47Å; L153-P166 HydrophobicContact CD1-CG 4.47Å; L153-Y173 WeakPolarHBondContact CD1-OH 3.47Å; L153-Y173 HydrophobicContact CD2-CE2 4.16Å; L153-T175 HydrophobicContact CD2-CG2 4.05Å |
| 154 | Q | 91.8 | Very high | 91.2 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 176.6 | -82.4 | -173.8 | -33.4 | 0 | 0 | 112.7 | R150 A151 K158 | R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 WeakPolarHBondContact O-CG 3.22Å; R150-Q154 PolarHBondContact O-N 2.88Å; A151-Q154 PolarHBondContact O-N 3.38Å; Q154-K158 WeakPolarHBondContact O-CB 3.49Å; Q154-K158 VanDerWaalsContact O-CG 3.24Å; Q154-K158 WeakPolarHBondContact O-CG 3.38Å; Q154-K158 PolarHBondContact O-N 2.98Å |
| 155 | A | 93.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A151 C152 L153 K158 F159 | A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.64Å; C152-A155 PolarHBondContact O-N 2.93Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.23Å; A155-K158 PolarHBondContact O-N 3.35Å; A155-F159 WeakPolarHBondContact O-CB 3.45Å; A155-F159 PolarHBondContact O-N 3.46Å |
| 156 | F | 92.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 23% | 0.232 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.8 | -178.6 | -90.6 | 0 | 0 | 0 | 112.6 | I129 C152 L153 K158 F159 T160 T164 P166 | I129-F156 HydrophobicContact CD1-CB 4.4Å; C152-F156 WeakPolarHBondContact O-CB 3.5Å; C152-F156 PolarHBondContact O-N 2.85Å; L153-F156 WeakPolarHBondContact O-CB 3.37Å; L153-F156 PolarHBondContact O-N 3.45Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.07Å; F156-F159 PolarHBondContact O-N 3.24Å; F156-T160 HydrophobicContact CD1-CG2 4.36Å; F156-T160 HydrophobicContact CD2-CG2 4.39Å; F156-T160 HydrophobicContact CE1-CG2 3.88Å; F156-T160 HydrophobicContact CE2-CG2 3.94Å; F156-T160 HydrophobicContact CZ-CG2 3.67Å; F156-T160 PolarHBondContact O-N 3.26Å; F156-T160 PolarHBondContact O-OG1 3.19Å; F156-T164 VanDerWaalsContact CE1-O 3.23Å; F156-T164 WeakPolarHBondContact CE1-O 3.46Å; F156-P166 HydrophobicContact CD1-CG 3.82Å; F156-P166 HydrophobicContact CD2-CG 4.19Å; F156-P166 HydrophobicContact CE1-CG 3.89Å; F156-P166 HydrophobicContact CE2-CB 4.29Å; F156-P166 HydrophobicContact CE2-CG 4.24Å; F156-P166 HydrophobicContact CG-CG 3.98Å; F156-P166 HydrophobicContact CZ-CB 4.26Å; F156-P166 HydrophobicContact CZ-CG 4.08Å |
| 157 | E | 92.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 63.1 Ų | 63.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 176.3 | -73.1 | 176.3 | 171.4 | 0 | 0 | 111.6 | L153 N161 Y173 | L153-E157 WeakPolarHBondContact O-CG 3.26Å; L153-E157 PolarHBondContact O-N 3.47Å; E157-N161 VanDerWaalsContact O-CA 3.29Å; E157-N161 WeakPolarHBondContact O-CA 3.26Å; E157-N161 PolarHBondContact O-N 3.33Å; E157-Y173 WeakPolarHBondContact CG-OH 3.42Å; E157-Y173 PolarHBondContact OE1-OH 2.88Å |
| 158 | K | 91.9 | Very high | 91.2 | Very high | 157 Ų | 157 | 65.6 Ų | 65.6 | 68% | 0.683 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 175.8 | -74.6 | 174.4 | -179.3 | -176 | 0 | 112.5 | Q154 A155 F156 N161 | Q154-K158 WeakPolarHBondContact O-CB 3.49Å; Q154-K158 VanDerWaalsContact O-CG 3.24Å; Q154-K158 WeakPolarHBondContact O-CG 3.38Å; Q154-K158 PolarHBondContact O-N 2.98Å; A155-K158 PolarHBondContact O-N 3.35Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.07Å; K158-N161 PolarHBondContact O-OD1 2.75Å |
| 159 | F | 92.2 | Very high | 91 | Very high | 178 Ų | 178 | 75.5 Ų | 75.5 | 78% | 0.781 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.7 | -42.3 | 179.7 | -179.7 | -100.9 | 0 | 0 | 0 | 112.2 | A155 F156 | A155-F159 WeakPolarHBondContact O-CB 3.45Å; A155-F159 PolarHBondContact O-N 3.46Å; F156-F159 PolarHBondContact O-N 3.24Å |
| 160 | T | 88.6 | Confident | 90.6 | Very high | 42 Ų | 42 | 80.7 Ų | 80.7 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -86.8 | -14.8 | -177 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | F156 K162 | F156-T160 HydrophobicContact CD1-CG2 4.36Å; F156-T160 HydrophobicContact CD2-CG2 4.39Å; F156-T160 HydrophobicContact CE1-CG2 3.88Å; F156-T160 HydrophobicContact CE2-CG2 3.94Å; F156-T160 HydrophobicContact CZ-CG2 3.67Å; F156-T160 PolarHBondContact O-N 3.26Å; F156-T160 PolarHBondContact O-OG1 3.19Å; T160-K162 WeakPolarHBondContact O-CG 3.45Å; T160-K162 PolarHBondContact O-N 2.73Å; T160-K162 VanDerWaalsContact O-N 3.07Å; T160-K162 PolarHBondContact OG1-O 3.16Å; T160-K162 VanDerWaalsContact OG1-O 3.11Å |
| 161 | N | 87.2 | Confident | 90.3 | Very high | 144 Ų | 144 | 82.3 Ų | 82.3 | 77% | 0.77 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 51.7 | 22.7 | -170.2 | -67.9 | -53 | 0 | 0 | 0 | 113.3 | E157 K158 | E157-N161 VanDerWaalsContact O-CA 3.29Å; E157-N161 WeakPolarHBondContact O-CA 3.26Å; E157-N161 PolarHBondContact O-N 3.33Å; K158-N161 PolarHBondContact O-OD1 2.75Å |
| 162 | K | 87.6 | Confident | 89.6 | Confident | 144 Ų | 144 | 87 Ų | 87 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -140.2 | 136 | -178.2 | -62.9 | 178.5 | -177.3 | 178.3 | 0 | 110.2 | T160 T164 | T160-K162 WeakPolarHBondContact O-CG 3.45Å; T160-K162 PolarHBondContact O-N 2.73Å; T160-K162 VanDerWaalsContact O-N 3.07Å; T160-K162 PolarHBondContact OG1-O 3.16Å; T160-K162 VanDerWaalsContact OG1-O 3.11Å; K162-T164 HydrophobicContact CB-CG2 3.84Å; K162-T164 PolarHBondContact O-N 3.01Å |
| 163 | K | 87.4 | Confident | 89.3 | Confident | 92 Ų | 92 | 86.1 Ų | 86.1 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | trans | -78.7 | 82.1 | 171.6 | -74.1 | -168.3 | 167.6 | -170.7 | 0 | 110.5 | D83 Q172 | D83-K163 IonicContact OD1-NZ 2.66Å; D83-K163 PolarHBondContact OD1-NZ 3.26Å; K163-Q172 PolarHBondContact O-N 3.33Å | ||
| 164 | T | 91.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 87.3 Ų | 87.3 | 16% | 0.16 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -127.3 | 132.5 | 179.9 | 64.6 | 0 | 0 | 0 | 0 | 111.3 | F156 K162 P166 K170 N171 | F156-T164 VanDerWaalsContact CE1-O 3.23Å; F156-T164 WeakPolarHBondContact CE1-O 3.46Å; K162-T164 HydrophobicContact CB-CG2 3.84Å; K162-T164 PolarHBondContact O-N 3.01Å; T164-P166 WeakPolarHBondContact O-CD 3.5Å; T164-K170 WeakPolarHBondContact CA-O 3.44Å; T164-N171 WeakPolarHBondContact CG2-OD1 3.12Å |
| 165 | C | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | trans | -63.3 | 129.5 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | L142 C144 H146 L167 R169 K170 Y173 | L142-C165 HydrophobicContact CD1-CB 4.08Å; C144-C165 PolarHBondContact SG-SG 3.27Å; H146-C165 PolarHBondContact ND1-SG 3.23Å; C165-L167 PolarHBondContact O-N 3.42Å; C165-L167 PolarHBondContact SG-N 3.13Å; C165-R169 WeakPolarHBondContact O-CA 3.26Å; C165-R169 PolarHBondContact O-N 3Å; C165-K170 PolarHBondContact N-O 3.41Å; C165-Y173 HydrophobicContact CB-CD1 4.25Å; C165-Y173 HydrophobicContact CB-CE1 4.48Å | ||
| 166 | P | 90.3 | Very high | 88.8 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 25% | 0.253 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28 | 178 | -25.6 | 33.6 | 0 | 0 | 0 | 114.5 | I129 F148 L153 F156 T164 | I129-P166 HydrophobicContact CD1-CG 4.05Å; I129-P166 HydrophobicContact CG1-CG 4.34Å; F148-P166 HydrophobicContact CE1-CB 4.21Å; F148-P166 HydrophobicContact CE1-CG 4.12Å; F148-P166 HydrophobicContact CZ-CB 4.21Å; F148-P166 HydrophobicContact CZ-CG 4.04Å; L153-P166 HydrophobicContact CD1-CG 4.47Å; F156-P166 HydrophobicContact CD1-CG 3.82Å; F156-P166 HydrophobicContact CD2-CG 4.19Å; F156-P166 HydrophobicContact CE1-CG 3.89Å; F156-P166 HydrophobicContact CE2-CB 4.29Å; F156-P166 HydrophobicContact CE2-CG 4.24Å; F156-P166 HydrophobicContact CG-CG 3.98Å; F156-P166 HydrophobicContact CZ-CB 4.26Å; F156-P166 HydrophobicContact CZ-CG 4.08Å; T164-P166 WeakPolarHBondContact O-CD 3.5Å |
| 167 | L | 89.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -56.7 | -177.1 | -70.2 | 176.2 | 0 | 0 | 0 | 112.6 | P128 H146 F148 C165 | P128-L167 HydrophobicContact CB-CD1 4.46Å; P128-L167 HydrophobicContact CB-CD2 4Å; P128-L167 HydrophobicContact CB-CG 4.43Å; P128-L167 HydrophobicContact CG-CD1 3.96Å; P128-L167 HydrophobicContact CG-CD2 4.34Å; P128-L167 HydrophobicContact CG-CG 4.45Å; H146-L167 HydrophobicContact CB-CD1 3.99Å; H146-L167 WeakPolarHBondContact CD2-CD1 3.43Å; F148-L167 HydrophobicContact CE1-CD1 4.3Å; F148-L167 HydrophobicContact CE1-CG 4.24Å; F148-L167 HydrophobicContact CZ-CD1 3.89Å; F148-L167 HydrophobicContact CZ-CG 3.88Å; C165-L167 PolarHBondContact O-N 3.42Å; C165-L167 PolarHBondContact SG-N 3.13Å |
| 168 | C | 89.5 | Confident | 88.5 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.2 | -174 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | C144 H146 K170 | C144-C168 VanDerWaalsContact CB-SG 3.6Å; C144-C168 VanDerWaalsContact SG-SG 3.62Å; H146-C168 VanDerWaalsContact CE1-SG 3.53Å; C168-K170 PolarHBondContact O-N 2.85Å |
| 169 | R | 89.3 | Confident | 88.3 | Confident | 208 Ų | 208 | 72.8 Ų | 72.8 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | trans | 55.9 | 17 | 179.3 | -55.2 | -179.3 | 179.2 | 175.3 | -0.8 | 114.8 | C165 N171 | C165-R169 WeakPolarHBondContact O-CA 3.26Å; C165-R169 PolarHBondContact O-N 3Å; R169-N171 PolarHBondContact O-N 2.99Å | ||
| 170 | K | 86.9 | Confident | 88 | Confident | 113 Ų | 113 | 65 Ų | 65 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -63.6 | 125.5 | 174.1 | -167.7 | 175.6 | -175.1 | 178.5 | 0 | 109.3 | C144 T164 C165 C168 | C144-K170 HydrophobicContact CB-CB 4.47Å; C144-K170 HydrophobicContact CB-CD 4.01Å; T164-K170 WeakPolarHBondContact CA-O 3.44Å; C165-K170 PolarHBondContact N-O 3.41Å; C168-K170 PolarHBondContact O-N 2.85Å | ||
| 171 | N | 83.9 | Confident | 88 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 30% | 0.303 | S | S | * | . | B | Isolated β-bridge | trans | -80.5 | 153.9 | 177.4 | -62.1 | -39.6 | 0 | 0 | 0 | 110.7 | T164 R169 Y173 | T164-N171 WeakPolarHBondContact CG2-OD1 3.12Å; R169-N171 PolarHBondContact O-N 2.99Å; N171-Y173 VanDerWaalsContact C-N 3.33Å; N171-Y173 PolarHBondContact O-N 3.36Å |
| 172 | Q | 79 | Confident | 88.1 | Confident | 163 Ų | 163 | 56.5 Ų | 56.5 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 54.1 | 46.5 | 170.3 | -59.7 | 177 | -1.2 | 0 | 0 | 113 | K163 | K163-Q172 PolarHBondContact O-N 3.33Š|
| 173 | Y | 87.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | trans | -71.6 | 159.3 | 172.1 | 56.8 | -105 | 0 | 0 | 0 | 111.4 | L142 S143 L153 E157 C165 N171 T175 | L142-Y173 HydrophobicContact CB-CD2 4.5Å; L142-Y173 HydrophobicContact CB-CG 4.49Å; L142-Y173 HydrophobicContact CD1-CD1 4.04Å; L142-Y173 HydrophobicContact CD1-CD2 4.16Å; L142-Y173 HydrophobicContact CD1-CE1 4.06Å; L142-Y173 HydrophobicContact CD1-CE2 4.22Å; L142-Y173 HydrophobicContact CD1-CG 4.08Å; L142-Y173 HydrophobicContact CD2-CD2 3.5Å; L142-Y173 HydrophobicContact CD2-CE2 3.53Å; L142-Y173 HydrophobicContact CD2-CG 4.2Å; L142-Y173 HydrophobicContact CG-CD2 4.27Å; L142-Y173 HydrophobicContact CG-CE2 4.48Å; S143-Y173 WeakPolarHBondContact OG-CA 3.49Å; S143-Y173 WeakPolarHBondContact OG-CB 3.47Å; L153-Y173 WeakPolarHBondContact CD1-OH 3.47Å; L153-Y173 HydrophobicContact CD2-CE2 4.16Å; E157-Y173 WeakPolarHBondContact CG-OH 3.42Å; E157-Y173 PolarHBondContact OE1-OH 2.88Å; C165-Y173 HydrophobicContact CB-CD1 4.25Å; C165-Y173 HydrophobicContact CB-CE1 4.48Å; N171-Y173 VanDerWaalsContact C-N 3.33Å; N171-Y173 PolarHBondContact O-N 3.36Å; Y173-T175 HydrophobicContact CD2-CG2 3.66Å; Y173-T175 HydrophobicContact CE2-CG2 3.44Å; Y173-T175 VanDerWaalsContact CE2-CG2 3.44Å | ||
| 174 | Q | 87.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | trans | -99.3 | 156 | 167.2 | -64.2 | 170.1 | 31.3 | 0 | 0 | 109.5 | D83 P103 W110 L142 S143 | D83-Q174 WeakPolarHBondContact OD2-CA 3.43Å; P103-Q174 PolarHBondContact O-NE2 2.85Å; W110-Q174 HydrophobicContact CH2-CB 4.26Å; W110-Q174 WeakPolarHBondContact CH2-O 3.37Å; W110-Q174 HydrophobicContact CZ2-CB 3.67Å; L142-Q174 CarbonylContact C-O 3.57Å; L142-Q174 WeakPolarHBondContact CA-O 3.28Å; S143-Q174 PolarHBondContact N-O 3.29Å; S143-Q174 PolarHBondContact OG-N 3.41Å; S143-Q174 VanDerWaalsContact OG-N 3.16Å | ||
| 175 | T | 89.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.7 | -171.3 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | V81 L82 D83 L142 L153 Y173 | V81-T175 WeakPolarHBondContact CA-O 3.2Å; L82-T175 WeakPolarHBondContact CB-OG1 3.49Å; L82-T175 PolarHBondContact N-O 2.86Å; D83-T175 PolarHBondContact OD2-N 3.19Å; D83-T175 PolarHBondContact OD2-OG1 2.94Å; L142-T175 HydrophobicContact CD2-CG2 3.59Å; L153-T175 HydrophobicContact CD2-CG2 4.05Å; Y173-T175 HydrophobicContact CD2-CG2 3.66Å; Y173-T175 HydrophobicContact CE2-CG2 3.44Å; Y173-T175 VanDerWaalsContact CE2-CG2 3.44Å |
| 176 | R | 88.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.8 | 174.1 | -179.4 | 177.3 | 176 | 174.1 | 4.2 | 109.4 | E79 W110 V140 L141 I178 | E79-R176 IonicContact OE2-CZ 3.17Å; E79-R176 IonicContact OE2-NE 3.63Å; E79-R176 PolarHBondContact OE2-NE 2.64Å; E79-R176 IonicContact OE2-NH2 2.84Å; E79-R176 PolarHBondContact OE2-NH2 2.84Å; W110-R176 VanDerWaalsContact CB-NH1 3.31Å; W110-R176 HydrophobicContact CD2-CB 4.09Å; W110-R176 HydrophobicContact CE3-CB 3.77Å; W110-R176 HydrophobicContact CE3-CG 4.42Å; W110-R176 HydrophobicContact CH2-CB 3.59Å; W110-R176 HydrophobicContact CZ2-CB 3.91Å; W110-R176 HydrophobicContact CZ3-CB 3.52Å; V140-R176 CarbonylContact C-O 3.52Å; V140-R176 WeakPolarHBondContact CA-O 3.32Å; L141-R176 PolarHBondContact N-O 2.84Å; L141-R176 PolarHBondContact O-N 3.28Å; R176-I178 HydrophobicContact CG-CG2 4.5Å |
| 177 | V | 89.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.3 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | E79 Y80 L82 Q139 V140 | E79-V177 VanDerWaalsContact CB-O 3.3Å; E79-V177 WeakPolarHBondContact CB-O 3.34Å; E79-V177 WeakPolarHBondContact CG-O 3.33Å; Y80-V177 HydrophobicContact CD1-CB 4.32Å; Y80-V177 HydrophobicContact CD2-CG2 4.48Å; Y80-V177 HydrophobicContact CE1-CB 4.06Å; Y80-V177 HydrophobicContact CE1-CG1 4.3Å; Y80-V177 HydrophobicContact CE1-CG2 4.04Å; Y80-V177 HydrophobicContact CE2-CG2 4Å; Y80-V177 PolarHBondContact O-N 3.44Å; L82-V177 HydrophobicContact CD1-CG2 3.74Å; L82-V177 HydrophobicContact CD2-CG2 3.73Å; L82-V177 HydrophobicContact CG-CG2 3.67Å; Q139-V177 WeakPolarHBondContact O-CA 3.36Å; V140-V177 HydrophobicContact CG1-CG2 4.33Å |
| 178 | I | 89.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.4 | 176.4 | 63.4 | 164 | 0 | 0 | 0 | 110.5 | Q139 L141 V147 R176 | Q139-I178 HydrophobicContact CB-CD1 4.37Å; Q139-I178 HydrophobicContact CB-CG1 3.69Å; Q139-I178 WeakPolarHBondContact CB-O 3.39Å; Q139-I178 PolarHBondContact O-N 3.48Å; L141-I178 HydrophobicContact CB-CD1 4.13Å; L141-I178 HydrophobicContact CB-CG1 4.3Å; L141-I178 HydrophobicContact CB-CG2 3.7Å; L141-I178 HydrophobicContact CD2-CG2 4.19Å; V147-I178 HydrophobicContact CG1-CD1 3.88Å; V147-I178 HydrophobicContact CG2-CD1 3.92Å; R176-I178 HydrophobicContact CG-CG2 4.5Å |
| 179 | H | 87.2 | Confident | 88.6 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | trans | -122.1 | 12.7 | 179.8 | -67.8 | -72.5 | 0 | 0 | 0 | 113.5 | G181 A182 R183 | H179-G181 PolarHBondContact O-N 3.27Å; H179-A182 WeakPolarHBondContact O-CB 3.25Å; H179-A182 PolarHBondContact O-N 2.93Å; H179-A182 VanDerWaalsContact O-N 3.09Å; H179-R183 PolarHBondContact O-N 3.21Å | ||
| 180 | D | 86.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 58 Ų | 58 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | -173.3 | -66.8 | -31 | 0 | 0 | 0 | 113 | K114 A182 R183 L184 | K114-D180 WeakPolarHBondContact CE-OD2 3.49Å; K114-D180 IonicContact NZ-OD1 2.98Å; K114-D180 PolarHBondContact NZ-OD1 2.84Å; K114-D180 IonicContact NZ-OD2 2.86Å; D180-A182 VanDerWaalsContact C-N 3.27Å; D180-A182 PolarHBondContact O-N 3.4Å; D180-R183 WeakPolarHBondContact O-CB 3.48Å; D180-R183 PolarHBondContact O-N 3.44Å; D180-L184 WeakPolarHBondContact O-CG 3.31Å; D180-L184 PolarHBondContact O-N 3.05Å |
| 181 | G | 87.3 | Confident | 89.4 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -31 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q139 H179 L184 F185 | Q139-G181 VanDerWaalsContact OE1-CA 3.24Å; H179-G181 PolarHBondContact O-N 3.27Å; G181-L184 PolarHBondContact O-N 3.41Å; G181-F185 VanDerWaalsContact O-CB 3.27Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 3.04Å |
| 182 | A | 89 | Confident | 90 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E135 L136 Q139 H179 D180 F185 R186 | E135-A182 WeakPolarHBondContact O-CA 3.49Å; E135-A182 WeakPolarHBondContact O-CB 3.48Å; E135-A182 PolarHBondContact O-N 3.5Å; L136-A182 HydrophobicContact CD2-CB 4.48Å; Q139-A182 VanDerWaalsContact NE2-N 3.18Å; H179-A182 WeakPolarHBondContact O-CB 3.25Å; H179-A182 PolarHBondContact O-N 2.93Å; H179-A182 VanDerWaalsContact O-N 3.09Å; D180-A182 VanDerWaalsContact C-N 3.27Å; D180-A182 PolarHBondContact O-N 3.4Å; A182-F185 PolarHBondContact O-N 2.97Å; A182-R186 VanDerWaalsContact O-CG 3.31Å; A182-R186 WeakPolarHBondContact O-CG 3.31Å; A182-R186 PolarHBondContact O-N 3.4Å |
| 183 | R | 88.8 | Confident | 90.8 | Very high | 159 Ų | 159 | 57 Ų | 57 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 171.7 | -178.9 | 179.9 | 170 | -162.7 | -2.3 | 111.5 | H179 D180 F185 R186 I187 | H179-R183 PolarHBondContact O-N 3.21Å; D180-R183 WeakPolarHBondContact O-CB 3.48Å; D180-R183 PolarHBondContact O-N 3.44Å; R183-F185 PolarHBondContact O-N 3.38Å; R183-R186 PolarHBondContact O-N 3.07Å; R183-I187 HydrophobicContact CG-CD1 4.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.48Å; R183-I187 PolarHBondContact O-N 3.36Å |
| 184 | L | 89.2 | Confident | 91.3 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.335 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.1 | -70.3 | 170.5 | 0 | 0 | 0 | 111.8 | V124 D180 G181 I187 K188 | V124-L184 HydrophobicContact CG2-CD1 3.8Å; D180-L184 WeakPolarHBondContact O-CG 3.31Å; D180-L184 PolarHBondContact O-N 3.05Å; G181-L184 PolarHBondContact O-N 3.41Å; L184-I187 WeakPolarHBondContact O-CB 3.5Å; L184-I187 PolarHBondContact O-N 3.28Å; L184-K188 WeakPolarHBondContact O-CG 3.38Å; L184-K188 PolarHBondContact O-N 2.86Å |
| 185 | F | 90.9 | Very high | 91.8 | Very high | 52 Ų | 52 | 62 Ų | 62 | 23% | 0.228 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.4 | -178.4 | -104.4 | 0 | 0 | 0 | 111.9 | E135 L136 G181 A182 R183 I187 K188 C189 | E135-F185 HydrophobicContact CB-CD1 4.49Å; E135-F185 HydrophobicContact CB-CD2 4.22Å; E135-F185 HydrophobicContact CB-CE2 4.25Å; E135-F185 HydrophobicContact CB-CG 4.34Å; E135-F185 HydrophobicContact CB-CZ 4.39Å; E135-F185 HydrophobicContact CG-CD2 4.1Å; E135-F185 HydrophobicContact CG-CE2 3.91Å; E135-F185 HydrophobicContact CG-CZ 4.36Å; L136-F185 HydrophobicContact CD2-CD1 4.01Å; L136-F185 HydrophobicContact CD2-CE1 4.49Å; L136-F185 HydrophobicContact CG-CD1 4.02Å; L136-F185 HydrophobicContact CG-CE1 4.1Å; G181-F185 VanDerWaalsContact O-CB 3.27Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 3.04Å; A182-F185 PolarHBondContact O-N 2.97Å; R183-F185 PolarHBondContact O-N 3.38Å; F185-I187 VanDerWaalsContact C-N 3.31Å; F185-I187 PolarHBondContact O-N 3.01Å; F185-K188 WeakPolarHBondContact O-CB 3.19Å; F185-K188 PolarHBondContact O-N 2.8Å; F185-K188 VanDerWaalsContact O-N 3.14Å; F185-C189 VanDerWaalsContact CE1-SG 3.56Å; F185-C189 PolarHBondContact O-N 3.27Å; F185-C189 PolarHBondContact O-SG 3.04Å |
| 186 | R | 91.9 | Very high | 92.1 | Very high | 119 Ų | 119 | 69 Ų | 69 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 174.6 | -72.5 | 178.3 | -166.7 | 156 | 8.9 | 111.9 | E77 L136 A182 R183 C189 V190 | E77-R186 IonicContact OE1-CZ 2.74Å; E77-R186 IonicContact OE1-NH1 3.99Å; E77-R186 PolarHBondContact OE1-NH1 2.91Å; E77-R186 IonicContact OE1-NH2 3.69Å; E77-R186 PolarHBondContact OE1-NH2 3.4Å; L136-R186 HydrophobicContact CD2-CG 4.38Å; A182-R186 VanDerWaalsContact O-CG 3.31Å; A182-R186 WeakPolarHBondContact O-CG 3.31Å; A182-R186 PolarHBondContact O-N 3.4Å; R183-R186 PolarHBondContact O-N 3.07Å; R186-C189 PolarHBondContact O-N 3.05Å; R186-V190 WeakPolarHBondContact O-CB 3.28Å; R186-V190 VanDerWaalsContact O-CG2 3.29Å; R186-V190 WeakPolarHBondContact O-CG2 3.43Å; R186-V190 PolarHBondContact O-N 3.19Å |
| 187 | I | 92.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 75.6 Ų | 75.6 | 45% | 0.451 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 174.9 | -66.7 | 165.1 | 0 | 0 | 0 | 110.5 | R183 L184 F185 C189 V190 T191 | R183-I187 HydrophobicContact CG-CD1 4.28Å; R183-I187 WeakPolarHBondContact O-CG1 3.48Å; R183-I187 PolarHBondContact O-N 3.36Å; L184-I187 WeakPolarHBondContact O-CB 3.5Å; L184-I187 PolarHBondContact O-N 3.28Å; F185-I187 VanDerWaalsContact C-N 3.31Å; F185-I187 PolarHBondContact O-N 3.01Å; I187-C189 VanDerWaalsContact C-N 3.33Å; I187-C189 PolarHBondContact O-N 3.03Å; I187-V190 PolarHBondContact O-N 3.39Å; I187-T191 PolarHBondContact O-N 3.31Å; I187-T191 PolarHBondContact O-OG1 3.36Å; I187-T191 VanDerWaalsContact O-OG1 3.09Å |
| 188 | K | 92.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 82.6 Ų | 82.6 | 39% | 0.391 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.3 | -47 | 175 | -70.2 | -178.6 | -176.5 | -178.7 | 0 | 111.2 | E133 L184 F185 T191 R192 | E133-K188 IonicContact OE1-NZ 3.02Å; E133-K188 IonicContact OE2-NZ 2.91Å; E133-K188 PolarHBondContact OE2-NZ 2.97Å; L184-K188 WeakPolarHBondContact O-CG 3.38Å; L184-K188 PolarHBondContact O-N 2.86Å; F185-K188 WeakPolarHBondContact O-CB 3.19Å; F185-K188 PolarHBondContact O-N 2.8Å; F185-K188 VanDerWaalsContact O-N 3.14Å; K188-T191 PolarHBondContact O-N 2.9Å; K188-R192 WeakPolarHBondContact O-CG 3.44Å; K188-R192 PolarHBondContact O-N 3.33Å |
| 189 | C | 93.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 83.5 Ų | 83.5 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | F185 R186 I187 T191 R192 I193 | F185-C189 VanDerWaalsContact CE1-SG 3.56Å; F185-C189 PolarHBondContact O-N 3.27Å; F185-C189 PolarHBondContact O-SG 3.04Å; R186-C189 PolarHBondContact O-N 3.05Å; I187-C189 VanDerWaalsContact C-N 3.33Å; I187-C189 PolarHBondContact O-N 3.03Å; C189-T191 PolarHBondContact O-N 2.82Å; C189-R192 WeakPolarHBondContact O-CB 3.49Å; C189-R192 PolarHBondContact O-N 3.12Å; C189-I193 WeakPolarHBondContact O-CG1 3.42Å; C189-I193 PolarHBondContact O-N 3.25Å |
| 190 | V | 96.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 86.5 Ų | 86.5 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | R186 I187 R192 I193 Q194 | R186-V190 WeakPolarHBondContact O-CB 3.28Å; R186-V190 VanDerWaalsContact O-CG2 3.29Å; R186-V190 WeakPolarHBondContact O-CG2 3.43Å; R186-V190 PolarHBondContact O-N 3.19Å; I187-V190 PolarHBondContact O-N 3.39Å; V190-R192 VanDerWaalsContact C-N 3.3Å; V190-R192 PolarHBondContact O-N 3.29Å; V190-I193 PolarHBondContact O-N 2.92Å; V190-Q194 HydrophobicContact CG1-CG 4.15Å; V190-Q194 WeakPolarHBondContact O-CB 3.26Å; V190-Q194 VanDerWaalsContact O-CG 3.24Å; V190-Q194 WeakPolarHBondContact O-CG 3.36Å; V190-Q194 PolarHBondContact O-N 2.93Å |
| 191 | T | 96.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 89.1 Ų | 89.1 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I187 K188 C189 Q194 A195 | I187-T191 PolarHBondContact O-N 3.31Å; I187-T191 PolarHBondContact O-OG1 3.36Å; I187-T191 VanDerWaalsContact O-OG1 3.09Å; K188-T191 PolarHBondContact O-N 2.9Å; C189-T191 PolarHBondContact O-N 2.82Å; T191-Q194 PolarHBondContact O-N 3.39Å; T191-A195 WeakPolarHBondContact O-CB 3.46Å; T191-A195 PolarHBondContact O-N 3.26Å |
| 192 | R | 96.9 | Very high | 94.6 | Very high | 165 Ų | 165 | 93.2 Ų | 93.2 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -52.7 | 175.5 | -73.1 | 173.9 | 72.1 | 154.6 | 2.9 | 111.3 | K188 C189 V190 Q194 A195 Y196 | K188-R192 WeakPolarHBondContact O-CG 3.44Å; K188-R192 PolarHBondContact O-N 3.33Å; C189-R192 WeakPolarHBondContact O-CB 3.49Å; C189-R192 PolarHBondContact O-N 3.12Å; V190-R192 VanDerWaalsContact C-N 3.3Å; V190-R192 PolarHBondContact O-N 3.29Å; R192-Q194 VanDerWaalsContact C-N 3.29Å; R192-Q194 PolarHBondContact O-N 2.82Å; R192-A195 PolarHBondContact O-N 3.17Å; R192-A195 VanDerWaalsContact O-N 3.13Å; R192-Y196 WeakPolarHBondContact O-CD2 3.38Å; R192-Y196 PolarHBondContact O-N 3.21Å |
| 193 | I | 96.8 | Very high | 94.9 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 61% | 0.605 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56.2 | -47.4 | 179.7 | -68.4 | 166.5 | 0 | 0 | 0 | 110.4 | C189 V190 A195 Y196 W197 | C189-I193 WeakPolarHBondContact O-CG1 3.42Å; C189-I193 PolarHBondContact O-N 3.25Å; V190-I193 PolarHBondContact O-N 2.92Å; I193-A195 PolarHBondContact O-N 3.37Å; I193-Y196 PolarHBondContact O-N 3.18Å; I193-W197 WeakPolarHBondContact O-CB 3.34Å; I193-W197 PolarHBondContact O-N 3.36Å |
| 194 | Q | 96.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.9 | -67.8 | 180 | -3.4 | 0 | 0 | 112.3 | V190 T191 R192 W197 R198 | V190-Q194 HydrophobicContact CG1-CG 4.15Å; V190-Q194 WeakPolarHBondContact O-CB 3.26Å; V190-Q194 VanDerWaalsContact O-CG 3.24Å; V190-Q194 WeakPolarHBondContact O-CG 3.36Å; V190-Q194 PolarHBondContact O-N 2.93Å; T191-Q194 PolarHBondContact O-N 3.39Å; R192-Q194 VanDerWaalsContact C-N 3.29Å; R192-Q194 PolarHBondContact O-N 2.82Å; Q194-W197 PolarHBondContact O-N 3.14Å; Q194-R198 VanDerWaalsContact CB-NH1 3.28Å; Q194-R198 WeakPolarHBondContact O-CB 3.4Å; Q194-R198 VanDerWaalsContact O-CG 3.26Å; Q194-R198 WeakPolarHBondContact O-CG 3.16Å; Q194-R198 PolarHBondContact O-N 3.23Å; Q194-R198 VanDerWaalsContact OE1-NH1 3.13Å |
| 195 | A | 97.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T191 R192 I193 W197 G199 | T191-A195 WeakPolarHBondContact O-CB 3.46Å; T191-A195 PolarHBondContact O-N 3.26Å; R192-A195 PolarHBondContact O-N 3.17Å; R192-A195 VanDerWaalsContact O-N 3.13Å; I193-A195 PolarHBondContact O-N 3.37Å; A195-W197 PolarHBondContact O-N 2.92Å; A195-G199 PolarHBondContact O-N 2.8Å |
| 196 | Y | 96.9 | Very high | 95.6 | Very high | 155 Ų | 155 | 107.4 Ų | 107.4 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 174.7 | -83.2 | -74.1 | 0 | 0 | 0 | 112 | R192 I193 G199 Y200 | R192-Y196 WeakPolarHBondContact O-CD2 3.38Å; R192-Y196 PolarHBondContact O-N 3.21Å; I193-Y196 PolarHBondContact O-N 3.18Å; Y196-G199 PolarHBondContact O-N 3.14Å; Y196-Y200 WeakPolarHBondContact O-CB 3.5Å; Y196-Y200 PolarHBondContact O-N 3.31Å |
| 197 | W | 97.3 | Very high | 95.6 | Very high | 168 Ų | 168 | 109.9 Ų | 109.9 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -50.3 | 178.3 | -177.6 | -99.8 | 0 | 0 | 0 | 112.1 | I193 Q194 A195 G199 Y200 V201 | I193-W197 WeakPolarHBondContact O-CB 3.34Å; I193-W197 PolarHBondContact O-N 3.36Å; Q194-W197 PolarHBondContact O-N 3.14Å; A195-W197 PolarHBondContact O-N 2.92Å; W197-G199 VanDerWaalsContact C-N 3.28Å; W197-G199 PolarHBondContact O-N 2.96Å; W197-Y200 HydrophobicContact CE3-CD1 4.42Å; W197-Y200 HydrophobicContact CZ3-CD1 4.36Å; W197-Y200 WeakPolarHBondContact O-CB 3.3Å; W197-Y200 PolarHBondContact O-N 3.18Å; W197-V201 HydrophobicContact CZ2-CG2 4.46Å; W197-V201 WeakPolarHBondContact O-CG2 3.16Å; W197-V201 PolarHBondContact O-N 3.39Å |
| 198 | R | 96.9 | Very high | 95.6 | Very high | 150 Ų | 150 | 110.1 Ų | 110.1 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.6 | -45.5 | 175.4 | -72.6 | 175.5 | -176.8 | 115.8 | 5.6 | 110.8 | Q194 Y200 V201 V202 | Q194-R198 VanDerWaalsContact CB-NH1 3.28Å; Q194-R198 WeakPolarHBondContact O-CB 3.4Å; Q194-R198 VanDerWaalsContact O-CG 3.26Å; Q194-R198 WeakPolarHBondContact O-CG 3.16Å; Q194-R198 PolarHBondContact O-N 3.23Å; Q194-R198 VanDerWaalsContact OE1-NH1 3.13Å; R198-Y200 PolarHBondContact O-N 3Å; R198-V201 PolarHBondContact O-N 2.74Å; R198-V202 WeakPolarHBondContact O-CG2 3.37Å; R198-V202 PolarHBondContact O-N 3.45Å; R198-V202 VanDerWaalsContact O-N 3.14Å |
| 199 | G | 96.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 108.7 Ų | 108.7 | 21% | 0.206 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A195 Y196 W197 R203 | A195-G199 PolarHBondContact O-N 2.8Å; Y196-G199 PolarHBondContact O-N 3.14Å; W197-G199 VanDerWaalsContact C-N 3.28Å; W197-G199 PolarHBondContact O-N 2.96Å; G199-R203 VanDerWaalsContact C-CZ 3.44Å; G199-R203 WeakPolarHBondContact O-CB 3.5Å; G199-R203 VanDerWaalsContact O-CG 3.3Å; G199-R203 WeakPolarHBondContact O-CG 3.45Å; G199-R203 PolarHBondContact O-N 2.96Å; G199-R203 PolarHBondContact O-NH1 3.27Å |
| 200 | Y | 96.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 114.6 Ų | 114.6 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.6 | 170.2 | -103.1 | 0 | 0 | 0 | 111.8 | Y196 W197 R198 V202 R203 K204 | Y196-Y200 WeakPolarHBondContact O-CB 3.5Å; Y196-Y200 PolarHBondContact O-N 3.31Å; W197-Y200 HydrophobicContact CE3-CD1 4.42Å; W197-Y200 HydrophobicContact CZ3-CD1 4.36Å; W197-Y200 WeakPolarHBondContact O-CB 3.3Å; W197-Y200 PolarHBondContact O-N 3.18Å; R198-Y200 PolarHBondContact O-N 3Å; Y200-V202 PolarHBondContact O-N 3.28Å; Y200-R203 PolarHBondContact O-N 3.33Å; Y200-K204 HydrophobicContact CE1-CD 4.41Å; Y200-K204 WeakPolarHBondContact O-CB 3.44Å; Y200-K204 PolarHBondContact O-N 2.75Å |
| 201 | V | 97 | Very high | 94.9 | Very high | 70 Ų | 70 | 115.7 Ų | 115.7 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | W197 R198 K204 W205 | W197-V201 HydrophobicContact CZ2-CG2 4.46Å; W197-V201 WeakPolarHBondContact O-CG2 3.16Å; W197-V201 PolarHBondContact O-N 3.39Å; R198-V201 PolarHBondContact O-N 2.74Å; V201-K204 PolarHBondContact O-N 3.07Å; V201-W205 WeakPolarHBondContact O-CB 3.37Å; V201-W205 PolarHBondContact O-N 2.66Å |
| 202 | V | 96.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | R198 Y200 K204 W205 Y206 | R198-V202 WeakPolarHBondContact O-CG2 3.37Å; R198-V202 PolarHBondContact O-N 3.45Å; R198-V202 VanDerWaalsContact O-N 3.14Å; Y200-V202 PolarHBondContact O-N 3.28Å; V202-K204 PolarHBondContact O-N 2.84Å; V202-W205 PolarHBondContact O-N 3.39Å; V202-Y206 VanDerWaalsContact O-CB 3.26Å; V202-Y206 WeakPolarHBondContact O-CB 3.42Å; V202-Y206 PolarHBondContact O-N 3.49Å |
| 203 | R | 95.3 | Very high | 94.2 | Very high | 139 Ų | 139 | 111.8 Ų | 111.8 | 53% | 0.525 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.7 | -76 | -173.8 | -63.9 | -89.1 | 1.4 | 112.7 | G199 Y200 R207 | G199-R203 VanDerWaalsContact C-CZ 3.44Å; G199-R203 WeakPolarHBondContact O-CB 3.5Å; G199-R203 VanDerWaalsContact O-CG 3.3Å; G199-R203 WeakPolarHBondContact O-CG 3.45Å; G199-R203 PolarHBondContact O-N 2.96Å; G199-R203 PolarHBondContact O-NH1 3.27Å; Y200-R203 PolarHBondContact O-N 3.33Å; R203-R207 VanDerWaalsContact O-CB 3.31Å; R203-R207 WeakPolarHBondContact O-CB 3.24Å; R203-R207 PolarHBondContact O-N 3.48Å |
| 204 | K | 95.4 | Very high | 93.8 | Very high | 134 Ų | 134 | 109.1 Ų | 109.1 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -46.8 | 175.7 | -175.8 | 176.7 | 179 | 179.4 | 0 | 110.6 | Y200 V201 V202 R207 N208 | Y200-K204 HydrophobicContact CE1-CD 4.41Å; Y200-K204 WeakPolarHBondContact O-CB 3.44Å; Y200-K204 PolarHBondContact O-N 2.75Å; V201-K204 PolarHBondContact O-N 3.07Å; V202-K204 PolarHBondContact O-N 2.84Å; K204-R207 PolarHBondContact O-N 3.49Å; K204-N208 PolarHBondContact O-N 2.93Å |
| 205 | W | 95.4 | Very high | 93.6 | Very high | 163 Ų | 163 | 106.9 Ų | 106.9 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 175.5 | 175.8 | 80.3 | 0 | 0 | 0 | 112 | V201 V202 R207 N208 L209 | V201-W205 WeakPolarHBondContact O-CB 3.37Å; V201-W205 PolarHBondContact O-N 2.66Å; V202-W205 PolarHBondContact O-N 3.39Å; W205-R207 VanDerWaalsContact C-N 3.32Å; W205-R207 PolarHBondContact O-N 3.42Å; W205-N208 PolarHBondContact O-N 3.42Å; W205-L209 HydrophobicContact CH2-CD2 3.88Å; W205-L209 HydrophobicContact CZ2-CD1 4.43Å; W205-L209 HydrophobicContact CZ2-CD2 4.33Å; W205-L209 HydrophobicContact CZ3-CD2 4.2Å; W205-L209 PolarHBondContact O-N 2.93Å |
| 206 | Y | 93.3 | Very high | 93.2 | Very high | 140 Ų | 140 | 110.9 Ų | 110.9 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | -179.9 | -175.4 | -103.7 | 0 | 0 | 0 | 112.9 | V202 L209 R210 | V202-Y206 VanDerWaalsContact O-CB 3.26Å; V202-Y206 WeakPolarHBondContact O-CB 3.42Å; V202-Y206 PolarHBondContact O-N 3.49Å; Y206-L209 HydrophobicContact CD2-CD2 4.35Å; Y206-L209 PolarHBondContact O-N 2.82Å; Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å |
| 207 | R | 92.2 | Very high | 93 | Very high | 171 Ų | 171 | 108.5 Ų | 108.5 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -47.8 | 173.6 | -173.4 | -176 | -57.2 | -166.4 | 0 | 111.2 | R203 K204 W205 R210 E211 | R203-R207 VanDerWaalsContact O-CB 3.31Å; R203-R207 WeakPolarHBondContact O-CB 3.24Å; R203-R207 PolarHBondContact O-N 3.48Å; K204-R207 PolarHBondContact O-N 3.49Å; W205-R207 VanDerWaalsContact C-N 3.32Å; W205-R207 PolarHBondContact O-N 3.42Å; R207-R210 PolarHBondContact O-N 3.07Å; R207-E211 PolarHBondContact O-N 2.92Å |
| 208 | N | 92.5 | Very high | 92.8 | Very high | 94 Ų | 94 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.2 | -170.2 | 23.5 | 0 | 0 | 0 | 111.5 | K204 W205 R210 E211 T212 | K204-N208 PolarHBondContact O-N 2.93Å; W205-N208 PolarHBondContact O-N 3.42Å; N208-R210 VanDerWaalsContact C-N 3.3Å; N208-R210 PolarHBondContact O-N 3.47Å; N208-E211 PolarHBondContact O-N 2.94Å; N208-E211 VanDerWaalsContact O-N 3.14Å; N208-T212 WeakPolarHBondContact O-CG2 3.48Å; N208-T212 PolarHBondContact O-N 3.34Å; N208-T212 VanDerWaalsContact O-N 3.14Å; N208-T212 PolarHBondContact O-OG1 3.47Å |
| 209 | L | 90.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 105.6 Ų | 105.6 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 174.2 | -171.2 | 75.6 | 0 | 0 | 0 | 111.5 | W205 Y206 E211 T212 V213 | W205-L209 HydrophobicContact CH2-CD2 3.88Å; W205-L209 HydrophobicContact CZ2-CD1 4.43Å; W205-L209 HydrophobicContact CZ2-CD2 4.33Å; W205-L209 HydrophobicContact CZ3-CD2 4.2Å; W205-L209 PolarHBondContact O-N 2.93Å; Y206-L209 HydrophobicContact CD2-CD2 4.35Å; Y206-L209 PolarHBondContact O-N 2.82Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-T212 PolarHBondContact O-N 2.86Å; L209-T212 PolarHBondContact O-OG1 3.3Å; L209-V213 HydrophobicContact CD1-CB 4.24Å; L209-V213 HydrophobicContact CD1-CG2 3.62Å; L209-V213 HydrophobicContact CG-CB 4.41Å; L209-V213 HydrophobicContact CG-CG2 4.29Å; L209-V213 WeakPolarHBondContact O-CB 3.5Å; L209-V213 PolarHBondContact O-N 3.46Å |
| 210 | R | 88.9 | Confident | 92.3 | Very high | 167 Ų | 167 | 108.7 Ų | 108.7 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.7 | -19.1 | -179.8 | -168.5 | 176.4 | 164.7 | -125.4 | -3.8 | 113.7 | Y206 R207 N208 F224 | Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å; R207-R210 PolarHBondContact O-N 3.07Å; N208-R210 VanDerWaalsContact C-N 3.3Å; N208-R210 PolarHBondContact O-N 3.47Å; R210-F224 WeakPolarHBondContact O-CE2 3.3Å |
| 211 | E | 87.1 | Confident | 92.1 | Very high | 94 Ų | 94 | 109.5 Ų | 109.5 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -86.9 | -23.6 | 174.2 | -73.5 | 173.7 | -178.6 | 0 | 0 | 113 | R207 N208 L209 F224 K228 | R207-E211 PolarHBondContact O-N 2.92Å; N208-E211 PolarHBondContact O-N 2.94Å; N208-E211 VanDerWaalsContact O-N 3.14Å; L209-E211 PolarHBondContact O-N 3.34Å; E211-F224 WeakPolarHBondContact O-CE2 3.44Å; E211-K228 WeakPolarHBondContact O-CE 3.4Å |
| 212 | T | 88.4 | Confident | 91.9 | Very high | 87 Ų | 87 | 113.7 Ų | 113.7 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -106.8 | -37.7 | -171.9 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | N208 L209 | N208-T212 WeakPolarHBondContact O-CG2 3.48Å; N208-T212 PolarHBondContact O-N 3.34Å; N208-T212 VanDerWaalsContact O-N 3.14Å; N208-T212 PolarHBondContact O-OG1 3.47Å; L209-T212 PolarHBondContact O-N 2.86Å; L209-T212 PolarHBondContact O-OG1 3.3Å |
| 213 | V | 89.3 | Confident | 91.7 | Very high | 75 Ų | 75 | 116.2 Ų | 116.2 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -105.2 | 127 | -174.1 | -178 | 0 | 0 | 0 | 0 | 110.2 | L209 | L209-V213 HydrophobicContact CD1-CB 4.24Å; L209-V213 HydrophobicContact CD1-CG2 3.62Å; L209-V213 HydrophobicContact CG-CB 4.41Å; L209-V213 HydrophobicContact CG-CG2 4.29Å; L209-V213 WeakPolarHBondContact O-CB 3.5Å; L209-V213 PolarHBondContact O-N 3.46Å |
| 214 | P | 89.7 | Confident | 91.6 | Very high | 63 Ų | 63 | 111 Ų | 111 | 41% | 0.409 | 53% | 0.529 | S | S | . | . | trans | -67.1 | 133.1 | 177.2 | 25.7 | -32.3 | 0 | 0 | 0 | 111 | R221 F224 F225 | P214-R221 HydrophobicContact CB-CG 4.47Å; P214-F224 HydrophobicContact CB-CD1 4.03Å; P214-F224 HydrophobicContact CB-CE1 4.01Å; P214-F225 HydrophobicContact CB-CE2 4.42Å; P214-F225 HydrophobicContact CB-CZ 4.05Å | ||
| 215 | P | 91.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 110 Ų | 110 | 21% | 0.214 | 53% | 0.525 | C | S | . | . | trans | -62.6 | 150.3 | 174.9 | -23.4 | 33.5 | 0 | 0 | 0 | 113.1 | L220 R221 F224 | P215-L220 HydrophobicContact CB-CB 3.84Å; P215-L220 HydrophobicContact CG-CB 4.07Å; P215-R221 WeakPolarHBondContact O-CB 3.44Å; P215-F224 HydrophobicContact CG-CB 4.46Å | ||
| 216 | T | 89.7 | Confident | 91.4 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 87% | 0.871 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -69.2 | -37.8 | 175.9 | -46.5 | 0 | 0 | 0 | 0 | 112.2 | A218 | T216-A218 PolarHBondContact O-N 3.14Š|
| 217 | D | 93.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -65.4 | 127 | -178.6 | -65.5 | -42.7 | 0 | 0 | 0 | 112 | K219 L220 R221 | D217-K219 VanDerWaalsContact C-N 3.31Å; D217-K219 PolarHBondContact O-N 2.98Å; D217-L220 HydrophobicContact CB-CB 4.21Å; D217-L220 HydrophobicContact CB-CD1 4.21Å; D217-L220 HydrophobicContact CB-CG 4.29Å; D217-L220 PolarHBondContact O-N 3.36Å; D217-L220 VanDerWaalsContact O-N 3.12Å; D217-R221 VanDerWaalsContact O-CB 3.28Å; D217-R221 WeakPolarHBondContact O-CB 3.47Å; D217-R221 PolarHBondContact O-N 3.46Å |
| 218 | A | 92.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.6 | -41.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T216 K222 | T216-A218 PolarHBondContact O-N 3.14Å; A218-K222 PolarHBondContact O-N 2.81Å |
| 219 | K | 93.3 | Very high | 91.6 | Very high | 183 Ų | 183 | 105.2 Ų | 105.2 | 80% | 0.796 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 179.2 | -68.2 | -177.7 | -178.7 | 177 | 0 | 112.4 | D217 K223 | D217-K219 VanDerWaalsContact C-N 3.31Å; D217-K219 PolarHBondContact O-N 2.98Å; K219-K223 PolarHBondContact O-N 3.32Å |
| 220 | L | 89.6 | Confident | 91.8 | Very high | 84 Ų | 84 | 106.4 Ų | 106.4 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.7 | -35.6 | 179.1 | -67.2 | 177.7 | 0 | 0 | 0 | 111.2 | P215 D217 K223 F224 | P215-L220 HydrophobicContact CB-CB 3.84Å; P215-L220 HydrophobicContact CG-CB 4.07Å; D217-L220 HydrophobicContact CB-CB 4.21Å; D217-L220 HydrophobicContact CB-CD1 4.21Å; D217-L220 HydrophobicContact CB-CG 4.29Å; D217-L220 PolarHBondContact O-N 3.36Å; D217-L220 VanDerWaalsContact O-N 3.12Å; L220-K223 PolarHBondContact O-N 3.03Å; L220-F224 WeakPolarHBondContact O-CB 3.47Å; L220-F224 PolarHBondContact O-N 3.11Å |
| 221 | R | 92 | Very high | 91.9 | Very high | 131 Ų | 131 | 103.5 Ų | 103.5 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 173.3 | -164.9 | 175.3 | 79.7 | 172.1 | 3.6 | 112 | P214 P215 D217 F224 F225 | P214-R221 HydrophobicContact CB-CG 4.47Å; P215-R221 WeakPolarHBondContact O-CB 3.44Å; D217-R221 VanDerWaalsContact O-CB 3.28Å; D217-R221 WeakPolarHBondContact O-CB 3.47Å; D217-R221 PolarHBondContact O-N 3.46Å; R221-F224 WeakPolarHBondContact O-CB 3.23Å; R221-F224 PolarHBondContact O-N 3.07Å; R221-F225 HydrophobicContact CG-CD2 3.81Å; R221-F225 HydrophobicContact CG-CE2 3.48Å; R221-F225 VanDerWaalsContact CG-CE2 3.48Å; R221-F225 VanDerWaalsContact O-CD2 3.25Å; R221-F225 WeakPolarHBondContact O-CD2 3.11Å; R221-F225 PolarHBondContact O-N 3.46Å |
| 222 | K | 92.9 | Very high | 92.2 | Very high | 157 Ų | 157 | 102.6 Ų | 102.6 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.2 | -50.4 | 174.1 | -174.6 | 179.7 | 177.8 | -179 | 0 | 111.3 | A218 F224 F225 E226 | A218-K222 PolarHBondContact O-N 2.81Å; K222-F224 VanDerWaalsContact C-N 3.32Å; K222-F224 PolarHBondContact O-N 2.9Å; K222-F225 PolarHBondContact O-N 3.05Å; K222-E226 WeakPolarHBondContact O-CB 3.42Å; K222-E226 PolarHBondContact O-N 2.89Å |
| 223 | K | 91.5 | Very high | 92.5 | Very high | 143 Ų | 143 | 100.2 Ų | 100.2 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -36.5 | 178.1 | -70.2 | -175.1 | 176.7 | -173.8 | 0 | 113.1 | K219 L220 K227 | K219-K223 PolarHBondContact O-N 3.32Å; L220-K223 PolarHBondContact O-N 3.03Å; K223-K227 PolarHBondContact O-N 3.4Å; K223-K227 VanDerWaalsContact O-N 3.07Å |
| 224 | F | 93.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 102.5 Ų | 102.5 | 13% | 0.132 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.7 | -51.5 | 176.1 | 175.6 | -88.7 | 0 | 0 | 0 | 111.1 | R210 E211 P214 P215 L220 R221 K222 K227 K228 | R210-F224 WeakPolarHBondContact O-CE2 3.3Å; E211-F224 WeakPolarHBondContact O-CE2 3.44Å; P214-F224 HydrophobicContact CB-CD1 4.03Å; P214-F224 HydrophobicContact CB-CE1 4.01Å; P215-F224 HydrophobicContact CG-CB 4.46Å; L220-F224 WeakPolarHBondContact O-CB 3.47Å; L220-F224 PolarHBondContact O-N 3.11Å; R221-F224 WeakPolarHBondContact O-CB 3.23Å; R221-F224 PolarHBondContact O-N 3.07Å; K222-F224 VanDerWaalsContact C-N 3.32Å; K222-F224 PolarHBondContact O-N 2.9Å; F224-K227 PolarHBondContact O-N 2.9Å; F224-K228 HydrophobicContact CD1-CG 4.45Å; F224-K228 HydrophobicContact CE1-CG 4.06Å; F224-K228 HydrophobicContact CZ-CG 4.21Å; F224-K228 WeakPolarHBondContact O-CG 3.5Å; F224-K228 PolarHBondContact O-N 3.39Å |
| 225 | F | 93.6 | Very high | 92.7 | Very high | 112 Ų | 112 | 107.7 Ų | 107.7 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 179.5 | -73.2 | -57.5 | 0 | 0 | 0 | 112.8 | P214 R221 K222 K228 F229 | P214-F225 HydrophobicContact CB-CE2 4.42Å; P214-F225 HydrophobicContact CB-CZ 4.05Å; R221-F225 HydrophobicContact CG-CD2 3.81Å; R221-F225 HydrophobicContact CG-CE2 3.48Å; R221-F225 VanDerWaalsContact CG-CE2 3.48Å; R221-F225 VanDerWaalsContact O-CD2 3.25Å; R221-F225 WeakPolarHBondContact O-CD2 3.11Å; R221-F225 PolarHBondContact O-N 3.46Å; K222-F225 PolarHBondContact O-N 3.05Å; F225-K228 PolarHBondContact O-N 2.99Å; F225-F229 WeakPolarHBondContact O-CB 3.27Å; F225-F229 PolarHBondContact O-N 2.97Å |
| 226 | E | 94.3 | Very high | 92.6 | Very high | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.2 | -52.1 | 172.8 | -177.9 | -179.5 | 178.2 | 0 | 0 | 111 | K222 K228 F229 T230 | K222-E226 WeakPolarHBondContact O-CB 3.42Å; K222-E226 PolarHBondContact O-N 2.89Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 2.82Å; E226-F229 PolarHBondContact O-N 3.4Å; E226-T230 PolarHBondContact O-N 2.92Å; E226-T230 PolarHBondContact O-OG1 3.37Å; E226-T230 VanDerWaalsContact O-OG1 3.04Å |
| 227 | K | 92.7 | Very high | 92.5 | Very high | 140 Ų | 140 | 108.7 Ų | 108.7 | 61% | 0.609 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 176.9 | -172.9 | -178.4 | 178.4 | -172.8 | 0 | 112.1 | K223 F224 T230 E231 | K223-K227 PolarHBondContact O-N 3.4Å; K223-K227 VanDerWaalsContact O-N 3.07Å; F224-K227 PolarHBondContact O-N 2.9Å; K227-T230 PolarHBondContact O-N 3.04Å; K227-E231 WeakPolarHBondContact O-CB 3.33Å; K227-E231 PolarHBondContact O-N 3.14Å |
| 228 | K | 93.6 | Very high | 92 | Very high | 67 Ų | 67 | 107.9 Ų | 107.9 | 29% | 0.291 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 178.2 | -76.5 | -71.3 | 168.7 | -159.4 | 0 | 112.4 | E211 F224 F225 E226 E231 I232 | E211-K228 WeakPolarHBondContact O-CE 3.4Å; F224-K228 HydrophobicContact CD1-CG 4.45Å; F224-K228 HydrophobicContact CE1-CG 4.06Å; F224-K228 HydrophobicContact CZ-CG 4.21Å; F224-K228 WeakPolarHBondContact O-CG 3.5Å; F224-K228 PolarHBondContact O-N 3.39Å; F225-K228 PolarHBondContact O-N 2.99Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 2.82Å; K228-E231 IonicContact NZ-OE1 2.65Å; K228-E231 IonicContact NZ-OE2 3.29Å; K228-E231 PolarHBondContact NZ-OE2 2.88Å; K228-E231 PolarHBondContact O-N 3.31Å; K228-I232 VanDerWaalsContact O-CG1 3.31Å; K228-I232 WeakPolarHBondContact O-CG1 3.24Å; K228-I232 PolarHBondContact O-N 2.87Å |
| 229 | F | 94.8 | Very high | 91.5 | Very high | 143 Ų | 143 | 108.5 Ų | 108.5 | 63% | 0.627 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 174.9 | -174 | -97.5 | 0 | 0 | 0 | 110.9 | F225 E226 E231 I232 S233 | F225-F229 WeakPolarHBondContact O-CB 3.27Å; F225-F229 PolarHBondContact O-N 2.97Å; E226-F229 PolarHBondContact O-N 3.4Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 3.14Å; F229-I232 PolarHBondContact O-N 3.25Å; F229-S233 WeakPolarHBondContact CE1-OG 3.49Å; F229-S233 WeakPolarHBondContact O-CB 3.43Å; F229-S233 PolarHBondContact O-N 3.31Å; F229-S233 PolarHBondContact O-OG 3.41Å; F229-S233 VanDerWaalsContact O-OG 3.05Å |
| 230 | T | 94.6 | Very high | 90.9 | Very high | 86 Ų | 86 | 107 Ų | 107 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 174.5 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | E226 K227 S233 H234 | E226-T230 PolarHBondContact O-N 2.92Å; E226-T230 PolarHBondContact O-OG1 3.37Å; E226-T230 VanDerWaalsContact O-OG1 3.04Å; K227-T230 PolarHBondContact O-N 3.04Å; T230-S233 PolarHBondContact O-N 3.41Å; T230-H234 VanDerWaalsContact O-CB 3.26Å; T230-H234 WeakPolarHBondContact O-CB 3.45Å; T230-H234 PolarHBondContact O-N 3.42Å |
| 231 | E | 93.1 | Very high | 89.9 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.6 | -173.2 | -174.5 | 165.5 | 0 | 0 | 111.7 | K227 K228 F229 R235 | K227-E231 WeakPolarHBondContact O-CB 3.33Å; K227-E231 PolarHBondContact O-N 3.14Å; K228-E231 IonicContact NZ-OE1 2.65Å; K228-E231 IonicContact NZ-OE2 3.29Å; K228-E231 PolarHBondContact NZ-OE2 2.88Å; K228-E231 PolarHBondContact O-N 3.31Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 3.14Å; E231-R235 WeakPolarHBondContact O-CB 3.41Å; E231-R235 PolarHBondContact O-N 3.35Å |
| 232 | I | 93.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 108.2 Ų | 108.2 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.2 | -68 | 165.5 | 0 | 0 | 0 | 110.7 | K228 F229 H234 R235 I236 | K228-I232 VanDerWaalsContact O-CG1 3.31Å; K228-I232 WeakPolarHBondContact O-CG1 3.24Å; K228-I232 PolarHBondContact O-N 2.87Å; F229-I232 PolarHBondContact O-N 3.25Å; I232-H234 VanDerWaalsContact C-N 3.33Å; I232-H234 PolarHBondContact O-N 3.24Å; I232-R235 PolarHBondContact O-N 2.87Å; I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 HydrophobicContact CG2-CG1 4.34Å; I232-I236 WeakPolarHBondContact O-CB 3.09Å; I232-I236 VanDerWaalsContact O-CG1 3.28Å; I232-I236 WeakPolarHBondContact O-CG1 3.43Å; I232-I236 PolarHBondContact O-N 3.48Å |
| 233 | S | 93.8 | Very high | 88 | Confident | 37 Ų | 37 | 104 Ų | 104 | 26% | 0.259 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 178.3 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | F229 T230 I236 L237 | F229-S233 WeakPolarHBondContact CE1-OG 3.49Å; F229-S233 WeakPolarHBondContact O-CB 3.43Å; F229-S233 PolarHBondContact O-N 3.31Å; F229-S233 PolarHBondContact O-OG 3.41Å; F229-S233 VanDerWaalsContact O-OG 3.05Å; T230-S233 PolarHBondContact O-N 3.41Å; S233-I236 PolarHBondContact O-N 3.23Å; S233-L237 WeakPolarHBondContact O-CB 3.48Å; S233-L237 VanDerWaalsContact O-CG 3.26Å; S233-L237 WeakPolarHBondContact O-CG 3.33Å; S233-L237 PolarHBondContact O-N 3.3Å |
| 234 | H | 90.8 | Very high | 87.5 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 175.3 | -172.7 | -78.9 | 0 | 0 | 0 | 111.5 | T230 I232 I236 L237 C238 | T230-H234 VanDerWaalsContact O-CB 3.26Å; T230-H234 WeakPolarHBondContact O-CB 3.45Å; T230-H234 PolarHBondContact O-N 3.42Å; I232-H234 VanDerWaalsContact C-N 3.33Å; I232-H234 PolarHBondContact O-N 3.24Å; H234-I236 VanDerWaalsContact C-N 3.3Å; H234-I236 PolarHBondContact O-N 3.36Å; H234-L237 PolarHBondContact O-N 2.92Å; H234-C238 PolarHBondContact CE1-SG 2.84Å; H234-C238 PolarHBondContact ND1-SG 3.21Å; H234-C238 VanDerWaalsContact ND1-SG 3.42Å; H234-C238 WeakPolarHBondContact O-CB 3.26Å; H234-C238 PolarHBondContact O-N 2.91Å; H234-C238 PolarHBondContact O-SG 3.46Å |
| 235 | R | 92 | Very high | 87.1 | Confident | 172 Ų | 172 | 106.7 Ų | 106.7 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.7 | -40.8 | 176.1 | -171.9 | -179.2 | 70.3 | -170.4 | 2.6 | 111.9 | E231 I232 S239 | E231-R235 WeakPolarHBondContact O-CB 3.41Å; E231-R235 PolarHBondContact O-N 3.35Å; I232-R235 PolarHBondContact O-N 2.87Å; R235-S239 WeakPolarHBondContact O-CB 3.39Å; R235-S239 PolarHBondContact O-N 3.43Å |
| 236 | I | 90.5 | Very high | 86.8 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 38% | 0.379 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 175.7 | -72.1 | 170.1 | 0 | 0 | 0 | 109.8 | I232 S233 H234 C238 S239 Y240 | I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 HydrophobicContact CG2-CG1 4.34Å; I232-I236 WeakPolarHBondContact O-CB 3.09Å; I232-I236 VanDerWaalsContact O-CG1 3.28Å; I232-I236 WeakPolarHBondContact O-CG1 3.43Å; I232-I236 PolarHBondContact O-N 3.48Å; S233-I236 PolarHBondContact O-N 3.23Å; H234-I236 VanDerWaalsContact C-N 3.3Å; H234-I236 PolarHBondContact O-N 3.36Å; I236-C238 VanDerWaalsContact C-N 3.32Å; I236-C238 PolarHBondContact O-N 3.32Å; I236-S239 WeakPolarHBondContact CA-OG 3.41Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.01Å; I236-S239 PolarHBondContact O-OG 3.13Å; I236-Y240 HydrophobicContact CG2-CD2 3.93Å; I236-Y240 HydrophobicContact CG2-CE2 3.37Å; I236-Y240 WeakPolarHBondContact O-CD2 3.44Å; I236-Y240 PolarHBondContact O-N 2.9Å; I236-Y240 VanDerWaalsContact O-N 3.13Å |
| 237 | L | 86.4 | Confident | 86.5 | Confident | 122 Ų | 122 | 106.2 Ų | 106.2 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.6 | -43.2 | 177.3 | -71.2 | 172.3 | 0 | 0 | 0 | 112.1 | S233 H234 S239 Y240 | S233-L237 WeakPolarHBondContact O-CB 3.48Å; S233-L237 VanDerWaalsContact O-CG 3.26Å; S233-L237 WeakPolarHBondContact O-CG 3.33Å; S233-L237 PolarHBondContact O-N 3.3Å; H234-L237 PolarHBondContact O-N 2.92Å; L237-S239 VanDerWaalsContact C-N 3.28Å; L237-S239 PolarHBondContact O-N 3.48Å; L237-Y240 PolarHBondContact O-N 3.45Å |
| 238 | C | 82.2 | Confident | 86.5 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.5 | -23.3 | 175.7 | -67 | 0 | 0 | 0 | 0 | 113.8 | H234 I236 | H234-C238 PolarHBondContact CE1-SG 2.84Å; H234-C238 PolarHBondContact ND1-SG 3.21Å; H234-C238 VanDerWaalsContact ND1-SG 3.42Å; H234-C238 WeakPolarHBondContact O-CB 3.26Å; H234-C238 PolarHBondContact O-N 2.91Å; H234-C238 PolarHBondContact O-SG 3.46Å; I236-C238 VanDerWaalsContact C-N 3.32Å; I236-C238 PolarHBondContact O-N 3.32Å |
| 239 | S | 84.1 | Confident | 86.5 | Confident | 88 Ų | 88 | 103.2 Ų | 103.2 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.9 | -22.2 | 174.8 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | R235 I236 L237 N241 | R235-S239 WeakPolarHBondContact O-CB 3.39Å; R235-S239 PolarHBondContact O-N 3.43Å; I236-S239 WeakPolarHBondContact CA-OG 3.41Å; I236-S239 WeakPolarHBondContact O-CB 3.41Å; I236-S239 PolarHBondContact O-N 3.01Å; I236-S239 PolarHBondContact O-OG 3.13Å; L237-S239 VanDerWaalsContact C-N 3.28Å; L237-S239 PolarHBondContact O-N 3.48Å; S239-N241 PolarHBondContact O-N 2.88Å |
| 240 | Y | 80 | Confident | 86.4 | Confident | 153 Ų | 153 | 100.8 Ų | 100.8 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.8 | 116.8 | 170.2 | -73.9 | -72.7 | 0 | 0 | 0 | 109.2 | I236 L237 T242 | I236-Y240 HydrophobicContact CG2-CD2 3.93Å; I236-Y240 HydrophobicContact CG2-CE2 3.37Å; I236-Y240 WeakPolarHBondContact O-CD2 3.44Å; I236-Y240 PolarHBondContact O-N 2.9Å; I236-Y240 VanDerWaalsContact O-N 3.13Å; L237-Y240 PolarHBondContact O-N 3.45Å; Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 3.29Å |
| 241 | N | 69.1 | Low | 86.4 | Confident | 136 Ų | 136 | 100.3 Ų | 100.3 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | trans | -78.3 | 83.3 | 172.5 | -169.4 | 21.7 | 0 | 0 | 0 | 109.4 | S239 N243 | S239-N241 PolarHBondContact O-N 2.88Å; N241-N243 PolarHBondContact O-N 3.34Å; N241-N243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | T | 70.7 | Confident | 86.5 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 63% | 0.632 | 51% | 0.512 | S | S | * | . | trans | -83.8 | 71.9 | 165.4 | 57.1 | 0 | 0 | 0 | 0 | 107.8 | Y240 I244 | Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 3.29Å; T242-I244 PolarHBondContact O-N 2.85Å | ||
| 243 | N | 73.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | trans | -74.7 | 60.7 | 177.4 | -150.4 | 3.6 | 0 | 0 | 0 | 110.1 | N241 E245 E246 L247 | N241-N243 PolarHBondContact O-N 3.34Å; N241-N243 VanDerWaalsContact O-N 3.16Å; N243-E245 PolarHBondContact O-N 2.95Å; N243-E246 HydrophobicContact CB-CB 4Å; N243-E246 VanDerWaalsContact CG-CB 3.48Å; N243-E246 WeakPolarHBondContact ND2-CB 3.37Å; N243-E246 PolarHBondContact ND2-OE2 2.55Å; N243-E246 WeakPolarHBondContact O-CB 3.33Å; N243-E246 PolarHBondContact O-N 3.3Å; N243-L247 PolarHBondContact O-N 3.03Å | ||
| 244 | I | 80.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -33.1 | -179.7 | -63.7 | 168 | 0 | 0 | 0 | 109.3 | T242 E246 L247 F248 | T242-I244 PolarHBondContact O-N 2.85Å; I244-E246 VanDerWaalsContact C-N 3.33Å; I244-E246 PolarHBondContact O-N 2.85Å; I244-L247 WeakPolarHBondContact O-CB 3.37Å; I244-L247 PolarHBondContact O-N 3.01Å; I244-F248 HydrophobicContact CG2-CD2 3.65Å; I244-F248 HydrophobicContact CG2-CE1 4.49Å; I244-F248 HydrophobicContact CG2-CE2 3.2Å; I244-F248 HydrophobicContact CG2-CG 4.47Å; I244-F248 HydrophobicContact CG2-CZ 3.67Å; I244-F248 WeakPolarHBondContact O-CD2 3.46Å; I244-F248 WeakPolarHBondContact O-CG 3.41Å; I244-F248 PolarHBondContact O-N 3.01Å |
| 245 | E | 85.1 | Confident | 86.8 | Confident | 141 Ų | 141 | 101 Ų | 101 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 173.5 | -63.1 | -60.2 | 155.1 | 0 | 0 | 112.5 | N243 F248 A249 | N243-E245 PolarHBondContact O-N 2.95Å; E245-F248 PolarHBondContact O-N 3.34Å; E245-A249 VanDerWaalsContact O-CB 3.22Å; E245-A249 WeakPolarHBondContact O-CB 3.49Å; E245-A249 PolarHBondContact O-N 2.86Å |
| 246 | E | 88.1 | Confident | 86.8 | Confident | 115 Ų | 115 | 95.6 Ų | 95.6 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 175.8 | -179.7 | 175.1 | -163.4 | 0 | 0 | 111.8 | N243 I244 A249 E250 | N243-E246 HydrophobicContact CB-CB 4Å; N243-E246 VanDerWaalsContact CG-CB 3.48Å; N243-E246 WeakPolarHBondContact ND2-CB 3.37Å; N243-E246 PolarHBondContact ND2-OE2 2.55Å; N243-E246 WeakPolarHBondContact O-CB 3.33Å; N243-E246 PolarHBondContact O-N 3.3Å; I244-E246 VanDerWaalsContact C-N 3.33Å; I244-E246 PolarHBondContact O-N 2.85Å; E246-A249 PolarHBondContact O-N 3.46Å; E246-E250 WeakPolarHBondContact O-CB 3.31Å; E246-E250 PolarHBondContact O-N 2.89Å |
| 247 | L | 88 | Confident | 86.9 | Confident | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | 173.5 | 177.8 | 65.8 | 0 | 0 | 0 | 111.5 | N243 I244 E250 I251 | N243-L247 PolarHBondContact O-N 3.03Å; I244-L247 WeakPolarHBondContact O-CB 3.37Å; I244-L247 PolarHBondContact O-N 3.01Å; L247-E250 PolarHBondContact O-N 3.21Å; L247-I251 HydrophobicContact CD1-CD1 4.42Å; L247-I251 HydrophobicContact CG-CD1 4.18Å; L247-I251 WeakPolarHBondContact O-CG1 3.03Å; L247-I251 PolarHBondContact O-N 3.48Å |
| 248 | F | 92.4 | Very high | 87.1 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177 | -69.9 | -37.2 | 0 | 0 | 0 | 111.9 | I244 E245 E250 I251 D252 | I244-F248 HydrophobicContact CG2-CD2 3.65Å; I244-F248 HydrophobicContact CG2-CE1 4.49Å; I244-F248 HydrophobicContact CG2-CE2 3.2Å; I244-F248 HydrophobicContact CG2-CG 4.47Å; I244-F248 HydrophobicContact CG2-CZ 3.67Å; I244-F248 WeakPolarHBondContact O-CD2 3.46Å; I244-F248 WeakPolarHBondContact O-CG 3.41Å; I244-F248 PolarHBondContact O-N 3.01Å; E245-F248 PolarHBondContact O-N 3.34Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.32Å; F248-I251 HydrophobicContact CD1-CD1 4.25Å; F248-I251 PolarHBondContact O-N 3.09Å; F248-D252 PolarHBondContact O-N 3.03Å |
| 249 | A | 92.9 | Very high | 87.3 | Confident | 35 Ų | 35 | 100.1 Ų | 100.1 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E245 E246 R253 | E245-A249 VanDerWaalsContact O-CB 3.22Å; E245-A249 WeakPolarHBondContact O-CB 3.49Å; E245-A249 PolarHBondContact O-N 2.86Å; E246-A249 PolarHBondContact O-N 3.46Å; A249-R253 WeakPolarHBondContact O-CB 3.49Å; A249-R253 VanDerWaalsContact O-CG 3.26Å; A249-R253 WeakPolarHBondContact O-CG 3.5Å; A249-R253 PolarHBondContact O-N 3.41Å |
| 250 | E | 93.3 | Very high | 87.4 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 174.3 | -173.1 | 59.3 | -154.7 | 0 | 0 | 112.3 | E246 L247 F248 R253 C254 | E246-E250 WeakPolarHBondContact O-CB 3.31Å; E246-E250 PolarHBondContact O-N 2.89Å; L247-E250 PolarHBondContact O-N 3.21Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.32Å; E250-R253 PolarHBondContact O-N 3.23Å; E250-R253 IonicContact OE2-CZ 2.66Å; E250-R253 IonicContact OE2-NE 2.88Å; E250-R253 PolarHBondContact OE2-NE 3.32Å; E250-R253 IonicContact OE2-NH2 3.12Å; E250-R253 PolarHBondContact OE2-NH2 2.94Å; E250-C254 WeakPolarHBondContact O-CB 3.35Å; E250-C254 PolarHBondContact O-N 2.9Å; E250-C254 PolarHBondContact O-SG 3.32Å |
| 251 | I | 94.8 | Very high | 87.7 | Confident | 77 Ų | 77 | 93.7 Ų | 93.7 | 40% | 0.395 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 174.6 | -68.5 | 166 | 0 | 0 | 0 | 110.3 | L247 F248 R253 C254 L255 | L247-I251 HydrophobicContact CD1-CD1 4.42Å; L247-I251 HydrophobicContact CG-CD1 4.18Å; L247-I251 WeakPolarHBondContact O-CG1 3.03Å; L247-I251 PolarHBondContact O-N 3.48Å; F248-I251 HydrophobicContact CD1-CD1 4.25Å; F248-I251 PolarHBondContact O-N 3.09Å; I251-R253 PolarHBondContact O-N 3.43Å; I251-C254 WeakPolarHBondContact O-CB 3.35Å; I251-C254 PolarHBondContact O-N 3.5Å; I251-L255 HydrophobicContact CG2-CD1 4.13Å; I251-L255 HydrophobicContact CG2-CG 4.48Å; I251-L255 WeakPolarHBondContact O-CG 3.44Å; I251-L255 PolarHBondContact O-N 3.26Å |
| 252 | D | 95.3 | Very high | 88.2 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 178.4 | -74.2 | -23.1 | 0 | 0 | 0 | 112 | F248 L255 A256 | F248-D252 PolarHBondContact O-N 3.03Å; D252-L255 PolarHBondContact O-N 2.98Å; D252-A256 WeakPolarHBondContact O-CB 3.35Å; D252-A256 PolarHBondContact O-N 3.21Å |
| 253 | R | 94.6 | Very high | 88.5 | Confident | 117 Ų | 117 | 92 Ų | 92 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 171.9 | -80.5 | -172.7 | -66.1 | -90.9 | 8.1 | 111.3 | A249 E250 I251 L255 A256 I257 | A249-R253 WeakPolarHBondContact O-CB 3.49Å; A249-R253 VanDerWaalsContact O-CG 3.26Å; A249-R253 WeakPolarHBondContact O-CG 3.5Å; A249-R253 PolarHBondContact O-N 3.41Å; E250-R253 PolarHBondContact O-N 3.23Å; E250-R253 IonicContact OE2-CZ 2.66Å; E250-R253 IonicContact OE2-NE 2.88Å; E250-R253 PolarHBondContact OE2-NE 3.32Å; E250-R253 IonicContact OE2-NH2 3.12Å; E250-R253 PolarHBondContact OE2-NH2 2.94Å; I251-R253 PolarHBondContact O-N 3.43Å; R253-L255 VanDerWaalsContact C-N 3.32Å; R253-L255 PolarHBondContact O-N 2.95Å; R253-A256 PolarHBondContact O-N 3.36Å; R253-I257 WeakPolarHBondContact O-CG1 3.29Å; R253-I257 PolarHBondContact O-N 3.35Å |
| 254 | C | 94.7 | Very high | 88.7 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 176.8 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | E250 I251 I257 N258 | E250-C254 WeakPolarHBondContact O-CB 3.35Å; E250-C254 PolarHBondContact O-N 2.9Å; E250-C254 PolarHBondContact O-SG 3.32Å; I251-C254 WeakPolarHBondContact O-CB 3.35Å; I251-C254 PolarHBondContact O-N 3.5Å; C254-I257 PolarHBondContact O-N 2.93Å; C254-N258 PolarHBondContact O-N 2.93Å; C254-N258 PolarHBondContact O-ND2 3.32Å |
| 255 | L | 94 | Very high | 88.3 | Confident | 77 Ų | 77 | 95.5 Ų | 95.5 | 40% | 0.403 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.1 | -70.9 | 176.3 | 0 | 0 | 0 | 112.4 | I251 D252 R253 N258 R259 | I251-L255 HydrophobicContact CG2-CD1 4.13Å; I251-L255 HydrophobicContact CG2-CG 4.48Å; I251-L255 WeakPolarHBondContact O-CG 3.44Å; I251-L255 PolarHBondContact O-N 3.26Å; D252-L255 PolarHBondContact O-N 2.98Å; R253-L255 VanDerWaalsContact C-N 3.32Å; R253-L255 PolarHBondContact O-N 2.95Å; L255-N258 PolarHBondContact O-N 3.09Å; L255-R259 WeakPolarHBondContact O-CB 3.48Å; L255-R259 VanDerWaalsContact O-CG 3.32Å; L255-R259 WeakPolarHBondContact O-CG 3.18Å; L255-R259 PolarHBondContact O-N 2.92Å |
| 256 | A | 92.7 | Very high | 87.3 | Confident | 59 Ų | 59 | 92.1 Ų | 92.1 | 49% | 0.488 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D252 R253 R259 S260 | D252-A256 WeakPolarHBondContact O-CB 3.35Å; D252-A256 PolarHBondContact O-N 3.21Å; R253-A256 PolarHBondContact O-N 3.36Å; A256-R259 PolarHBondContact O-N 3.22Å; A256-S260 PolarHBondContact O-N 3.11Å; A256-S260 PolarHBondContact O-OG 2.88Å |
| 257 | I | 93 | Very high | 86.3 | Confident | 104 Ų | 104 | 93.5 Ų | 93.5 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.4 | -66.9 | 165.4 | 0 | 0 | 0 | 110.5 | R253 C254 R259 S260 V261 | R253-I257 WeakPolarHBondContact O-CG1 3.29Å; R253-I257 PolarHBondContact O-N 3.35Å; C254-I257 PolarHBondContact O-N 2.93Å; I257-R259 VanDerWaalsContact C-N 3.31Å; I257-R259 PolarHBondContact O-N 3.19Å; I257-S260 PolarHBondContact O-N 2.91Å; I257-S260 PolarHBondContact O-OG 2.82Å; I257-V261 HydrophobicContact CG2-CG2 4.49Å; I257-V261 WeakPolarHBondContact O-CG2 3.26Å; I257-V261 PolarHBondContact O-N 2.71Å |
| 258 | N | 89.9 | Confident | 85.2 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 178.4 | -73.4 | -33.4 | 0 | 0 | 0 | 111.8 | C254 L255 V261 L262 | C254-N258 PolarHBondContact O-N 2.93Å; C254-N258 PolarHBondContact O-ND2 3.32Å; L255-N258 PolarHBondContact O-N 3.09Å; N258-V261 PolarHBondContact O-N 2.87Å; N258-L262 WeakPolarHBondContact O-CG 3.3Å; N258-L262 PolarHBondContact O-N 2.78Å; N258-L262 VanDerWaalsContact O-N 3.1Å |
| 259 | R | 86.3 | Confident | 83.6 | Confident | 178 Ų | 178 | 99.8 Ų | 99.8 | 67% | 0.672 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -40.8 | 175.9 | -73.5 | 174.6 | -179.1 | 168.6 | 2.6 | 112.6 | L255 A256 I257 L262 Q263 | L255-R259 WeakPolarHBondContact O-CB 3.48Å; L255-R259 VanDerWaalsContact O-CG 3.32Å; L255-R259 WeakPolarHBondContact O-CG 3.18Å; L255-R259 PolarHBondContact O-N 2.92Å; A256-R259 PolarHBondContact O-N 3.22Å; I257-R259 VanDerWaalsContact C-N 3.31Å; I257-R259 PolarHBondContact O-N 3.19Å; R259-L262 PolarHBondContact O-N 2.91Å; R259-Q263 WeakPolarHBondContact O-CB 3.36Å; R259-Q263 PolarHBondContact O-N 2.64Å |
| 260 | S | 87.2 | Confident | 82.1 | Confident | 49 Ų | 49 | 99.7 Ų | 99.7 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | 179.3 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | A256 I257 Q263 Q264 | A256-S260 PolarHBondContact O-N 3.11Å; A256-S260 PolarHBondContact O-OG 2.88Å; I257-S260 PolarHBondContact O-N 2.91Å; I257-S260 PolarHBondContact O-OG 2.82Å; S260-Q263 PolarHBondContact O-N 3.31Å; S260-Q264 WeakPolarHBondContact O-CG 3.41Å; S260-Q264 PolarHBondContact O-N 3.5Å |
| 261 | V | 86.1 | Confident | 80.8 | Confident | 57 Ų | 57 | 101.5 Ų | 101.5 | 35% | 0.345 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 171.7 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | I257 N258 Q263 Q264 F265 | I257-V261 HydrophobicContact CG2-CG2 4.49Å; I257-V261 WeakPolarHBondContact O-CG2 3.26Å; I257-V261 PolarHBondContact O-N 2.71Å; N258-V261 PolarHBondContact O-N 2.87Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 3.16Å; V261-Q264 PolarHBondContact O-N 3.01Å; V261-F265 HydrophobicContact CG1-CD2 3.75Å; V261-F265 HydrophobicContact CG1-CE2 3.54Å; V261-F265 WeakPolarHBondContact O-CD2 3.49Å; V261-F265 PolarHBondContact O-N 2.92Å |
| 262 | L | 78.9 | Confident | 79.5 | Confident | 97 Ų | 97 | 105.5 Ų | 105.5 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 176.4 | -69.9 | 171.9 | 0 | 0 | 0 | 112.1 | N258 R259 F265 E266 | N258-L262 WeakPolarHBondContact O-CG 3.3Å; N258-L262 PolarHBondContact O-N 2.78Å; N258-L262 VanDerWaalsContact O-N 3.1Å; R259-L262 PolarHBondContact O-N 2.91Å; L262-F265 WeakPolarHBondContact O-CB 3.5Å; L262-F265 PolarHBondContact O-N 3.49Å; L262-E266 PolarHBondContact O-N 2.99Å |
| 263 | Q | 76.4 | Confident | 78.6 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.1 | -171.1 | 178.1 | 0.7 | 0 | 0 | 112.5 | R259 S260 V261 F265 E266 E267 | R259-Q263 WeakPolarHBondContact O-CB 3.36Å; R259-Q263 PolarHBondContact O-N 2.64Å; S260-Q263 PolarHBondContact O-N 3.31Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 3.16Å; Q263-F265 VanDerWaalsContact C-N 3.3Å; Q263-F265 PolarHBondContact O-N 2.93Å; Q263-E266 CarbonylContact O-C 3.54Å; Q263-E266 WeakPolarHBondContact O-CA 3.2Å; Q263-E266 WeakPolarHBondContact O-CB 3.45Å; Q263-E266 PolarHBondContact O-N 2.94Å; Q263-E266 VanDerWaalsContact O-N 3.09Å; Q263-E267 WeakPolarHBondContact O-CG 3.3Å; Q263-E267 PolarHBondContact O-N 3.05Å |
| 264 | Q | 78.9 | Confident | 77.9 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | 174 | -75.1 | 176 | 11.9 | 0 | 0 | 112.2 | S260 V261 E266 K268 | S260-Q264 WeakPolarHBondContact O-CG 3.41Å; S260-Q264 PolarHBondContact O-N 3.5Å; V261-Q264 PolarHBondContact O-N 3.01Å; Q264-E266 VanDerWaalsContact C-N 3.34Å; Q264-K268 WeakPolarHBondContact O-CB 3.39Å; Q264-K268 PolarHBondContact O-N 3.34Å |
| 265 | F | 71.8 | Confident | 77.2 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 170.1 | -82.1 | -75.2 | 0 | 0 | 0 | 110.9 | V261 L262 Q263 K268 Y269 | V261-F265 HydrophobicContact CG1-CD2 3.75Å; V261-F265 HydrophobicContact CG1-CE2 3.54Å; V261-F265 WeakPolarHBondContact O-CD2 3.49Å; V261-F265 PolarHBondContact O-N 2.92Å; L262-F265 WeakPolarHBondContact O-CB 3.5Å; L262-F265 PolarHBondContact O-N 3.49Å; Q263-F265 VanDerWaalsContact C-N 3.3Å; Q263-F265 PolarHBondContact O-N 2.93Å; F265-K268 PolarHBondContact O-N 3.5Å; F265-Y269 AromaticContact CD1-CD2 3.9Å; F265-Y269 HydrophobicContact CD1-CD2 3.9Å; F265-Y269 AromaticContact CD1-CE2 3.62Å; F265-Y269 HydrophobicContact CD1-CE2 3.62Å; F265-Y269 HydrophobicContact CE1-CE2 4.08Å; F265-Y269 WeakPolarHBondContact O-CB 3.37Å; F265-Y269 VanDerWaalsContact O-CD2 3.31Å; F265-Y269 WeakPolarHBondContact O-CD2 3.36Å; F265-Y269 PolarHBondContact O-N 2.99Å |
| 266 | E | 65.1 | Low | 76.5 | Confident | 70 Ų | 70 | 105.6 Ų | 105.6 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 174.2 | -151.3 | 179.3 | 157.2 | 0 | 0 | 112.2 | L262 Q263 Q264 K268 Y269 G270 P344 F345 | L262-E266 PolarHBondContact O-N 2.99Å; Q263-E266 CarbonylContact O-C 3.54Å; Q263-E266 WeakPolarHBondContact O-CA 3.2Å; Q263-E266 WeakPolarHBondContact O-CB 3.45Å; Q263-E266 PolarHBondContact O-N 2.94Å; Q263-E266 VanDerWaalsContact O-N 3.09Å; Q264-E266 VanDerWaalsContact C-N 3.34Å; E266-K268 VanDerWaalsContact C-N 3.34Å; E266-K268 PolarHBondContact O-N 3.12Å; E266-Y269 PolarHBondContact O-N 3.15Å; E266-G270 WeakPolarHBondContact O-CA 3.46Å; E266-G270 PolarHBondContact O-N 3.35Å; E266-P344 VanDerWaalsContact CD-CD 3.42Å; E266-P344 VanDerWaalsContact CG-CD 3.5Å; E266-P344 HydrophobicContact CG-CG 3.41Å; E266-P344 VanDerWaalsContact CG-CG 3.41Å; E266-P344 WeakPolarHBondContact OE1-CD 3.47Å; E266-F345 HydrophobicContact CB-CE2 4.45Å; E266-F345 HydrophobicContact CB-CZ 3.88Å; E266-F345 HydrophobicContact CG-CE2 4.04Å; E266-F345 HydrophobicContact CG-CZ 3.89Å; E266-F345 WeakPolarHBondContact OE2-CE2 3.26Å |
| 267 | E | 67.1 | Low | 75.9 | Confident | 144 Ų | 144 | 106.1 Ų | 106.1 | 67% | 0.673 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -33.4 | 179 | -72.4 | 172.4 | -171.8 | 0 | 0 | 112.4 | Q263 | Q263-E267 WeakPolarHBondContact O-CG 3.3Å; Q263-E267 PolarHBondContact O-N 3.05Å |
| 268 | K | 64.3 | Low | 75.6 | Confident | 169 Ų | 169 | 101.9 Ų | 101.9 | 74% | 0.735 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -77 | -35.8 | 177.4 | -102.3 | -178.5 | 174.4 | 175 | 0 | 114.1 | Q264 F265 E266 | Q264-K268 WeakPolarHBondContact O-CB 3.39Å; Q264-K268 PolarHBondContact O-N 3.34Å; F265-K268 PolarHBondContact O-N 3.5Å; E266-K268 VanDerWaalsContact C-N 3.34Å; E266-K268 PolarHBondContact O-N 3.12Å |
| 269 | Y | 59.2 | Low | 75.3 | Confident | 177 Ų | 177 | 103.1 Ų | 103.1 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -113.5 | -6.5 | -170.8 | -65.9 | -80 | 0 | 0 | 0 | 113.7 | F265 E266 H271 | F265-Y269 AromaticContact CD1-CD2 3.9Å; F265-Y269 HydrophobicContact CD1-CD2 3.9Å; F265-Y269 AromaticContact CD1-CE2 3.62Å; F265-Y269 HydrophobicContact CD1-CE2 3.62Å; F265-Y269 HydrophobicContact CE1-CE2 4.08Å; F265-Y269 WeakPolarHBondContact O-CB 3.37Å; F265-Y269 VanDerWaalsContact O-CD2 3.31Å; F265-Y269 WeakPolarHBondContact O-CD2 3.36Å; F265-Y269 PolarHBondContact O-N 2.99Å; E266-Y269 PolarHBondContact O-N 3.15Å; Y269-H271 PolarHBondContact O-N 3.47Å; Y269-H271 VanDerWaalsContact O-N 3.16Å |
| 270 | G | 61.4 | Low | 75.2 | Confident | 34 Ų | 34 | 101.4 Ų | 101.4 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | trans | -79.9 | 28 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E266 E272 | E266-G270 WeakPolarHBondContact O-CA 3.46Å; E266-G270 PolarHBondContact O-N 3.35Å; G270-E272 PolarHBondContact O-N 3.35Å | ||
| 271 | H | 65.8 | Low | 75.2 | Confident | 128 Ų | 128 | 100.1 Ų | 100.1 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 118 | 173.6 | -173.8 | 60.7 | 0 | 0 | 0 | 109.5 | Y269 I273 Q356 | Y269-H271 PolarHBondContact O-N 3.47Å; Y269-H271 VanDerWaalsContact O-N 3.16Å; H271-I273 PolarHBondContact O-N 2.96Å; H271-Q356 PolarHBondContact O-NE2 3.22Å |
| 272 | E | 67.7 | Low | 75 | Confident | 162 Ų | 162 | 101.7 Ų | 101.7 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 119.7 | 174.2 | -69.7 | -176.6 | 165 | 0 | 0 | 109.3 | G270 T274 | G270-E272 PolarHBondContact O-N 3.35Å; E272-T274 PolarHBondContact O-N 3.24Å |
| 273 | I | 75.7 | Confident | 75.3 | Confident | 33 Ų | 33 | 100.8 Ų | 100.8 | 17% | 0.169 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.6 | -177.8 | -64.2 | 169.9 | 0 | 0 | 0 | 108.8 | H271 E277 W278 I281 Q356 | H271-I273 PolarHBondContact O-N 2.96Å; I273-E277 HydrophobicContact CG2-CB 3.54Å; I273-W278 HydrophobicContact CB-CZ2 4.32Å; I273-W278 HydrophobicContact CD1-CH2 4.44Å; I273-W278 HydrophobicContact CD1-CZ2 4.02Å; I273-W278 HydrophobicContact CG2-CD2 4.02Å; I273-W278 HydrophobicContact CG2-CG 3.91Å; I273-W278 HydrophobicContact CG2-CZ2 4.5Å; I273-W278 PolarHBondContact O-NE1 3.31Å; I273-I281 HydrophobicContact CD1-CD1 4.31Å; I273-I281 HydrophobicContact CG2-CD1 3.96Å; I273-Q356 HydrophobicContact CD1-CB 4.05Å; I273-Q356 HydrophobicContact CD1-CG 4.44Å; I273-Q356 VanDerWaalsContact N-OE1 3.09Å |
| 274 | T | 80.5 | Confident | 75.6 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 156.9 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | E272 E276 E277 W278 | E272-T274 PolarHBondContact O-N 3.24Å; T274-E276 VanDerWaalsContact C-N 3.26Å; T274-E276 PolarHBondContact O-N 3.27Å; T274-E277 PolarHBondContact N-OE2 3.19Å; T274-E277 WeakPolarHBondContact O-CB 3.36Å; T274-E277 PolarHBondContact O-N 2.97Å; T274-E277 VanDerWaalsContact OG1-CG 3.22Å; T274-E277 WeakPolarHBondContact OG1-CG 3.3Å; T274-E277 PolarHBondContact OG1-OE2 3.41Å; T274-W278 PolarHBondContact O-N 3.34Å |
| 275 | E | 78.4 | Confident | 75.9 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 179.4 | -76.5 | -65.7 | 113.4 | 0 | 0 | 112.6 | E277 W278 E279 K358 | E275-E277 VanDerWaalsContact C-N 3.28Å; E275-E277 PolarHBondContact O-N 3.35Å; E275-W278 WeakPolarHBondContact O-CB 3.14Å; E275-W278 PolarHBondContact O-N 3.19Å; E275-E279 PolarHBondContact O-N 3.05Å; E275-K358 IonicContact OE1-NZ 2.85Å; E275-K358 PolarHBondContact OE1-NZ 3.19Å; E275-K358 IonicContact OE2-NZ 2.65Å; E275-K358 PolarHBondContact OE2-NZ 3.32Å |
| 276 | E | 79.4 | Confident | 76.3 | Confident | 140 Ų | 140 | 96.4 Ų | 96.4 | 65% | 0.654 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.1 | -31.7 | 176 | -60.9 | 177.9 | -170.4 | 0 | 0 | 112.9 | T274 K280 | T274-E276 VanDerWaalsContact C-N 3.26Å; T274-E276 PolarHBondContact O-N 3.27Å; E276-K280 WeakPolarHBondContact O-CG 3.4Å; E276-K280 PolarHBondContact O-N 2.98Å |
| 277 | E | 81.8 | Confident | 77 | Confident | 71 Ų | 71 | 102.5 Ų | 102.5 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.7 | -38 | 175.5 | -71.6 | 168.4 | 148.6 | 0 | 0 | 111.2 | I273 T274 E275 E279 K280 I281 | I273-E277 HydrophobicContact CG2-CB 3.54Å; T274-E277 PolarHBondContact N-OE2 3.19Å; T274-E277 WeakPolarHBondContact O-CB 3.36Å; T274-E277 PolarHBondContact O-N 2.97Å; T274-E277 VanDerWaalsContact OG1-CG 3.22Å; T274-E277 WeakPolarHBondContact OG1-CG 3.3Å; T274-E277 PolarHBondContact OG1-OE2 3.41Å; E275-E277 VanDerWaalsContact C-N 3.28Å; E275-E277 PolarHBondContact O-N 3.35Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 3.27Å; E277-K280 WeakPolarHBondContact O-CB 3.39Å; E277-K280 PolarHBondContact O-N 3.44Å; E277-I281 WeakPolarHBondContact O-CD1 3.37Å; E277-I281 WeakPolarHBondContact O-CG1 3.49Å; E277-I281 PolarHBondContact O-N 3.01Å |
| 278 | W | 86.3 | Confident | 77.5 | Confident | 15 Ų | 15 | 100.9 Ų | 100.9 | 6% | 0.057 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 172.6 | -81.9 | 114.3 | 0 | 0 | 0 | 112.6 | I273 T274 E275 I281 Q282 L319 Q356 K358 | I273-W278 HydrophobicContact CB-CZ2 4.32Å; I273-W278 HydrophobicContact CD1-CH2 4.44Å; I273-W278 HydrophobicContact CD1-CZ2 4.02Å; I273-W278 HydrophobicContact CG2-CD2 4.02Å; I273-W278 HydrophobicContact CG2-CG 3.91Å; I273-W278 HydrophobicContact CG2-CZ2 4.5Å; I273-W278 PolarHBondContact O-NE1 3.31Å; T274-W278 PolarHBondContact O-N 3.34Å; E275-W278 WeakPolarHBondContact O-CB 3.14Å; E275-W278 PolarHBondContact O-N 3.19Å; W278-I281 HydrophobicContact CE3-CB 4.49Å; W278-I281 HydrophobicContact CE3-CD1 4.31Å; W278-I281 HydrophobicContact CE3-CG2 4.38Å; W278-I281 HydrophobicContact CZ3-CG2 4.4Å; W278-I281 PolarHBondContact O-N 2.88Å; W278-Q282 WeakPolarHBondContact O-CB 3.43Å; W278-Q282 PolarHBondContact O-N 2.79Å; W278-L319 HydrophobicContact CE3-CD2 4.05Å; W278-L319 HydrophobicContact CE3-CG 4.39Å; W278-L319 HydrophobicContact CZ3-CD2 4.2Å; W278-L319 HydrophobicContact CZ3-CG 4.03Å; W278-Q356 HydrophobicContact CH2-CB 4.41Å; W278-Q356 WeakPolarHBondContact CH2-O 3.41Å; W278-Q356 HydrophobicContact CZ2-CB 4.04Å; W278-K358 HydrophobicContact CB-CD 4Å; W278-K358 HydrophobicContact CD2-CB 3.96Å; W278-K358 HydrophobicContact CD2-CD 3.73Å; W278-K358 HydrophobicContact CD2-CG 4.49Å; W278-K358 HydrophobicContact CE3-CB 3.82Å; W278-K358 HydrophobicContact CE3-CD 4.06Å; W278-K358 HydrophobicContact CG-CD 3.7Å; W278-K358 HydrophobicContact CH2-CB 3.8Å; W278-K358 HydrophobicContact CZ2-CB 3.95Å; W278-K358 HydrophobicContact CZ3-CB 3.74Å |
| 279 | E | 82.9 | Confident | 77.6 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 174.1 | -71.9 | 178.6 | 179.4 | 0 | 0 | 111.8 | E275 E277 I281 Q282 V283 | E275-E279 PolarHBondContact O-N 3.05Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 3.27Å; E279-I281 PolarHBondContact O-N 2.79Å; E279-Q282 PolarHBondContact O-N 2.85Å; E279-V283 WeakPolarHBondContact O-CG2 3.37Å; E279-V283 PolarHBondContact O-N 2.95Å |
| 280 | K | 85.2 | Confident | 78.3 | Confident | 142 Ų | 142 | 93.7 Ų | 93.7 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 175.5 | -68.6 | 168.5 | -170.8 | 161.4 | 0 | 111.7 | E276 E277 Q282 V283 Q284 | E276-K280 WeakPolarHBondContact O-CG 3.4Å; E276-K280 PolarHBondContact O-N 2.98Å; E277-K280 WeakPolarHBondContact O-CB 3.39Å; E277-K280 PolarHBondContact O-N 3.44Å; K280-Q282 VanDerWaalsContact C-N 3.33Å; K280-V283 PolarHBondContact O-N 3.04Å; K280-Q284 WeakPolarHBondContact O-CB 3.23Å; K280-Q284 PolarHBondContact O-N 3.24Å |
| 281 | I | 85.3 | Confident | 79 | Confident | 22 Ų | 22 | 98.4 Ų | 98.4 | 11% | 0.113 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 178 | -67 | 162.3 | 0 | 0 | 0 | 110.5 | I273 E277 W278 E279 Q284 A285 L319 | I273-I281 HydrophobicContact CD1-CD1 4.31Å; I273-I281 HydrophobicContact CG2-CD1 3.96Å; E277-I281 WeakPolarHBondContact O-CD1 3.37Å; E277-I281 WeakPolarHBondContact O-CG1 3.49Å; E277-I281 PolarHBondContact O-N 3.01Å; W278-I281 HydrophobicContact CE3-CB 4.49Å; W278-I281 HydrophobicContact CE3-CD1 4.31Å; W278-I281 HydrophobicContact CE3-CG2 4.38Å; W278-I281 HydrophobicContact CZ3-CG2 4.4Å; W278-I281 PolarHBondContact O-N 2.88Å; E279-I281 PolarHBondContact O-N 2.79Å; I281-Q284 PolarHBondContact O-N 3.28Å; I281-A285 WeakPolarHBondContact O-CB 3.41Å; I281-A285 PolarHBondContact O-N 3.22Å; I281-L319 HydrophobicContact CG2-CD1 4.26Å; I281-L319 HydrophobicContact CG2-CD2 4.17Å; I281-L319 HydrophobicContact CG2-CG 4.26Å |
| 282 | Q | 83.8 | Confident | 79.8 | Confident | 91 Ų | 91 | 98 Ų | 98 | 43% | 0.425 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.2 | -171.3 | 176.7 | 14.4 | 0 | 0 | 111.7 | W278 E279 K280 Q284 A285 L286 L319 | W278-Q282 WeakPolarHBondContact O-CB 3.43Å; W278-Q282 PolarHBondContact O-N 2.79Å; E279-Q282 PolarHBondContact O-N 2.85Å; K280-Q282 VanDerWaalsContact C-N 3.33Å; Q282-Q284 VanDerWaalsContact C-N 3.28Å; Q282-Q284 PolarHBondContact O-N 3.38Å; Q282-A285 PolarHBondContact O-N 2.66Å; Q282-L286 PolarHBondContact O-N 2.95Å; Q282-L319 HydrophobicContact CB-CD2 3.91Å; Q282-L319 HydrophobicContact CG-CD2 4.33Å |
| 283 | V | 83.6 | Confident | 80.7 | Confident | 78 Ų | 78 | 90.3 Ų | 90.3 | 47% | 0.473 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 173.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | E279 K280 L286 R287 | E279-V283 WeakPolarHBondContact O-CG2 3.37Å; E279-V283 PolarHBondContact O-N 2.95Å; K280-V283 PolarHBondContact O-N 3.04Å; V283-L286 PolarHBondContact O-N 3.47Å; V283-R287 WeakPolarHBondContact O-CG 3.41Å; V283-R287 PolarHBondContact O-N 2.65Å |
| 284 | Q | 84.6 | Confident | 81.2 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.7 | -172.2 | 176 | 11.6 | 0 | 0 | 112.4 | K280 I281 Q282 L286 R287 R288 | K280-Q284 WeakPolarHBondContact O-CB 3.23Å; K280-Q284 PolarHBondContact O-N 3.24Å; I281-Q284 PolarHBondContact O-N 3.28Å; Q282-Q284 VanDerWaalsContact C-N 3.28Å; Q282-Q284 PolarHBondContact O-N 3.38Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; Q284-R287 PolarHBondContact O-N 3.11Å; Q284-R288 PolarHBondContact O-N 3.42Å |
| 285 | A | 83.9 | Confident | 81.4 | Confident | 9 Ų | 9 | 91.5 Ų | 91.5 | 7% | 0.074 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I281 Q282 R287 R288 L319 S323 V325 | I281-A285 WeakPolarHBondContact O-CB 3.41Å; I281-A285 PolarHBondContact O-N 3.22Å; Q282-A285 PolarHBondContact O-N 2.66Å; A285-R287 VanDerWaalsContact C-N 3.3Å; A285-R287 PolarHBondContact O-N 3.05Å; A285-R288 PolarHBondContact O-N 3.09Å; A285-R288 VanDerWaalsContact O-N 3.12Å; A285-L319 HydrophobicContact CB-CD1 3.62Å; A285-S323 WeakPolarHBondContact CB-O 3.39Å; A285-V325 HydrophobicContact CB-CG2 4.07Å |
| 286 | L | 80.7 | Confident | 81.8 | Confident | 142 Ų | 142 | 88.3 Ų | 88.3 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 175.5 | -130 | 76.3 | 0 | 0 | 0 | 112.2 | Q282 V283 Q284 R288 E289 | Q282-L286 PolarHBondContact O-N 2.95Å; V283-L286 PolarHBondContact O-N 3.47Å; Q284-L286 VanDerWaalsContact C-N 3.32Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.29Å; L286-E289 PolarHBondContact O-N 2.96Å |
| 287 | R | 78.9 | Confident | 82.1 | Confident | 199 Ų | 199 | 87.9 Ų | 87.9 | 75% | 0.751 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.6 | -21.9 | 176.4 | -70 | 177.7 | -175 | -171.8 | 2.1 | 113.9 | V283 Q284 A285 E289 | V283-R287 WeakPolarHBondContact O-CG 3.41Å; V283-R287 PolarHBondContact O-N 2.65Å; Q284-R287 PolarHBondContact O-N 3.11Å; A285-R287 VanDerWaalsContact C-N 3.3Å; A285-R287 PolarHBondContact O-N 3.05Å; R287-E289 VanDerWaalsContact C-N 3.27Å |
| 288 | R | 78.4 | Confident | 82.2 | Confident | 109 Ų | 109 | 85.7 Ų | 85.7 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.9 | 178.1 | -70.1 | -176.5 | -174.9 | -153.9 | 4.9 | 112.9 | Q284 A285 L286 T290 S323 H324 | Q284-R288 PolarHBondContact O-N 3.42Å; A285-R288 PolarHBondContact O-N 3.09Å; A285-R288 VanDerWaalsContact O-N 3.12Å; L286-R288 VanDerWaalsContact C-N 3.27Å; L286-R288 PolarHBondContact O-N 3.29Å; R288-T290 HydrophobicContact CB-CG2 4.3Å; R288-T290 PolarHBondContact O-N 3.41Å; R288-T290 VanDerWaalsContact O-N 3.11Å; R288-S323 PolarHBondContact NE-OG 3.32Å; R288-S323 VanDerWaalsContact NE-OG 3.09Å; R288-S323 PolarHBondContact NH2-OG 3.03Å; R288-H324 PolarHBondContact NH1-CE1 3.05Å; R288-H324 PolarHBondContact NH1-NE2 3.44Å |
| 289 | E | 67.3 | Low | 82 | Confident | 144 Ų | 144 | 89.2 Ų | 89.2 | 67% | 0.673 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38.2 | 174.8 | -63.7 | -179.2 | -178.4 | 0 | 0 | 113.2 | L286 R287 H291 | L286-E289 PolarHBondContact O-N 2.96Å; R287-E289 VanDerWaalsContact C-N 3.27Å; E289-H291 PolarHBondContact O-CD2 3.47Å; E289-H291 PolarHBondContact O-N 3.02Å; E289-H291 VanDerWaalsContact O-N 3.15Å; E289-H291 PolarHBondContact O-NE2 2.8Å |
| 290 | T | 72.6 | Confident | 81.6 | Confident | 52 Ų | 52 | 84.2 Ų | 84.2 | 32% | 0.319 | 42% | 0.421 | S | S | . | . | trans | -78.4 | 102.4 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | R288 | R288-T290 HydrophobicContact CB-CG2 4.3Å; R288-T290 PolarHBondContact O-N 3.41Å; R288-T290 VanDerWaalsContact O-N 3.11Å | ||
| 291 | H | 75.5 | Confident | 80.6 | Confident | 133 Ų | 133 | 81.1 Ų | 81.1 | 62% | 0.616 | 42% | 0.418 | S | S | * | . | trans | -93.4 | -10.3 | -178.5 | -61.7 | -66.9 | 0 | 0 | 0 | 113.8 | E289 P299 L300 | E289-H291 PolarHBondContact O-CD2 3.47Å; E289-H291 PolarHBondContact O-N 3.02Å; E289-H291 VanDerWaalsContact O-N 3.15Å; E289-H291 PolarHBondContact O-NE2 2.8Å; H291-P299 CarbonylContact O-C 3.55Å; H291-P299 VanDerWaalsContact O-CA 3.29Å; H291-P299 WeakPolarHBondContact O-CA 3.35Å; H291-L300 PolarHBondContact O-N 2.96Å | ||
| 292 | E | 83.9 | Confident | 79.2 | Confident | 120 Ų | 120 | 86 Ų | 86 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | B | Isolated β-bridge | trans | -127.6 | 144.5 | -175.7 | -64.9 | 178.8 | 172.7 | 0 | 0 | 111.8 | S294 L300 | E292-S294 PolarHBondContact O-N 2.87Å; E292-L300 WeakPolarHBondContact O-CD1 3.46Å |
| 293 | C | 86.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 47% | 0.467 | C | S | . | . | trans | -78.7 | 111.9 | 176 | 179.6 | 0 | 0 | 0 | 0 | 109 | I295 C296 L297 A298 L300 H327 | C293-I295 PolarHBondContact O-N 3.14Å; C293-C296 PolarHBondContact O-N 3.38Å; C293-C296 VanDerWaalsContact SG-SG 3.63Å; C293-L297 WeakPolarHBondContact O-CA 3.4Å; C293-L297 PolarHBondContact O-N 3.48Å; C293-A298 WeakPolarHBondContact CB-O 3.33Å; C293-A298 PolarHBondContact N-O 3.02Å; C293-L300 HydrophobicContact CB-CD2 3.61Å; C293-L300 HydrophobicContact CB-CG 4.15Å; C293-H327 WeakPolarHBondContact CB-ND1 3.14Å; C293-H327 PolarHBondContact SG-N 3.35Å | ||
| 294 | S | 84.8 | Confident | 75 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -8.7 | -176 | -41.4 | 0 | 0 | 0 | 0 | 115 | E292 | E292-S294 PolarHBondContact O-N 2.87Š|
| 295 | I | 85.8 | Confident | 72.9 | Confident | 61 Ų | 61 | 85.2 Ų | 85.2 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -42.9 | 176 | -59.7 | 169.7 | 0 | 0 | 0 | 110.9 | C293 F326 C330 L331 L334 P349 | C293-I295 PolarHBondContact O-N 3.14Å; I295-F326 HydrophobicContact CD1-CB 4.15Å; I295-F326 HydrophobicContact CD1-CD1 3.67Å; I295-F326 HydrophobicContact CD1-CE1 4.3Å; I295-F326 HydrophobicContact CD1-CG 3.95Å; I295-F326 HydrophobicContact CG1-CD1 3.71Å; I295-F326 HydrophobicContact CG1-CE1 4.04Å; I295-F326 HydrophobicContact CG1-CG 4.49Å; I295-C330 HydrophobicContact CB-CB 4Å; I295-C330 HydrophobicContact CD1-CB 4.06Å; I295-C330 HydrophobicContact CG2-CB 3.87Å; I295-L331 HydrophobicContact CD1-CD1 4.42Å; I295-L334 HydrophobicContact CD1-CD2 4.23Å; I295-P349 HydrophobicContact CD1-CG 4.36Å; I295-P349 HydrophobicContact CG1-CG 4.18Å |
| 296 | C | 87 | Confident | 70.6 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 35% | 0.345 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -1 | -175.1 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | C293 A298 H327 | C293-C296 PolarHBondContact O-N 3.38Å; C293-C296 VanDerWaalsContact SG-SG 3.63Å; C296-A298 PolarHBondContact O-N 3.42Å; C296-H327 PolarHBondContact SG-ND1 2.99Å |
| 297 | L | 84.6 | Confident | 68.9 | Low | 131 Ų | 131 | 98.9 Ų | 98.9 | 69% | 0.686 | 55% | 0.546 | S | S | * | . | trans | 60.1 | 19.5 | -180 | -49.6 | 175.3 | 0 | 0 | 0 | 114.3 | C293 | C293-L297 WeakPolarHBondContact O-CA 3.4Å; C293-L297 PolarHBondContact O-N 3.48Å | ||
| 298 | A | 84.3 | Confident | 66.9 | Low | 25 Ų | 25 | 95 Ų | 95 | 21% | 0.207 | 54% | 0.544 | C | S | . | . | trans | -102.1 | 152.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C293 C296 | C293-A298 WeakPolarHBondContact CB-O 3.33Å; C293-A298 PolarHBondContact N-O 3.02Å; C296-A298 PolarHBondContact O-N 3.42Å | ||
| 299 | P | 81.9 | Confident | 64.9 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | B | Isolated β-bridge | trans | -63.1 | 142.8 | -176.1 | 23.8 | -33.8 | 0 | 0 | 0 | 113.5 | H291 H327 | H291-P299 CarbonylContact O-C 3.55Å; H291-P299 VanDerWaalsContact O-CA 3.29Å; H291-P299 WeakPolarHBondContact O-CA 3.35Å; P299-H327 PolarHBondContact O-CE1 2.91Å; P299-H327 PolarHBondContact O-NE2 2.87Å |
| 300 | L | 74.2 | Confident | 63.6 | Low | 18 Ų | 18 | 91.5 Ų | 91.5 | 9% | 0.094 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -86.6 | -23.5 | -176.3 | -71.9 | 168.3 | 0 | 0 | 0 | 113.8 | H291 E292 C293 T317 V325 | H291-L300 PolarHBondContact O-N 2.96Å; E292-L300 WeakPolarHBondContact O-CD1 3.46Å; C293-L300 HydrophobicContact CB-CD2 3.61Å; C293-L300 HydrophobicContact CB-CG 4.15Å; L300-T317 HydrophobicContact CD2-CG2 4.26Å; L300-T317 VanDerWaalsContact O-CG2 3.29Å; L300-T317 WeakPolarHBondContact O-CG2 3.28Å; L300-V325 HydrophobicContact CD1-CB 4.05Å; L300-V325 HydrophobicContact CD1-CG1 4.09Å; L300-V325 WeakPolarHBondContact CD1-O 3.25Å; L300-V325 HydrophobicContact CD2-CG1 4.29Å |
| 301 | S | 66.1 | Low | 62.3 | Low | 78 Ų | 78 | 92.4 Ų | 92.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -131.6 | 138.3 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | A303 | S301-A303 PolarHBondContact O-N 3.4Å; S301-A303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | P | 55 | Low | 61 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 81% | 0.812 | 60% | 0.599 | S | S | * | * | trans | -83.2 | 34.6 | 175.8 | 35.6 | -34.3 | 0 | 0 | 0 | 112.5 | G304 | P302-G304 PolarHBondContact O-N 3.31Š| ||
| 303 | A | 39.2 | Very low | 59.5 | Low | 93 Ų | 93 | 99.6 Ų | 99.6 | 77% | 0.769 | 61% | 0.613 | S | S | * | * | trans | -95.9 | 80.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | S301 | S301-A303 PolarHBondContact O-N 3.4Å; S301-A303 VanDerWaalsContact O-N 3.14Å | ||
| 304 | G | 38.9 | Very low | 58.2 | Low | 66 Ų | 66 | 103.3 Ų | 103.3 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 177.8 | 94.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P302 Q306 | P302-G304 PolarHBondContact O-N 3.31Å; G304-Q306 PolarHBondContact O-N 2.96Å; G304-Q306 VanDerWaalsContact O-N 3.1Å |
| 305 | G | 41.3 | Very low | 57.5 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 88% | 0.876 | 65% | 0.647 | S | S | * | * | trans | -53.7 | 112 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 306 | Q | 35.7 | Very low | 57.4 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | trans | -144.8 | 104.3 | 148.6 | -108.9 | 167 | 10.3 | 0 | 0 | 108.1 | G304 V308 | G304-Q306 PolarHBondContact O-N 2.96Å; G304-Q306 VanDerWaalsContact O-N 3.1Å; Q306-V308 PolarHBondContact O-N 2.91Å; Q306-V308 VanDerWaalsContact O-N 3.09Å | ||
| 307 | R | 45.6 | Very low | 57.4 | Low | 261 Ų | 261 | 108.6 Ų | 108.6 | 99% | 0.985 | 65% | 0.645 | S | S | * | * | trans | -63.3 | 105.8 | 166.8 | -76.4 | 179.2 | 168.8 | 176.4 | -3.1 | 107.8 | ||||
| 308 | V | 36.3 | Very low | 57.6 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 71% | 0.709 | 61% | 0.613 | S | S | * | * | trans | -136.6 | 117.2 | 162.7 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | Q306 | Q306-V308 PolarHBondContact O-N 2.91Å; Q306-V308 VanDerWaalsContact O-N 3.09Å | ||
| 309 | G | 36.5 | Very low | 57.8 | Low | 65 Ų | 65 | 101.2 Ų | 101.2 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | trans | 75.5 | 117.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | G311 | G309-G311 PolarHBondContact O-N 3.4Š| ||
| 310 | A | 41 | Very low | 58.1 | Low | 115 Ų | 115 | 97 Ų | 97 | 95% | 0.95 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 124.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 311 | G | 43.9 | Very low | 58.6 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 73% | 0.732 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.6 | -14.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | G309 R313 | G309-G311 PolarHBondContact O-N 3.4Å; G311-R313 PolarHBondContact O-N 3.27Å; G311-R313 VanDerWaalsContact O-N 3.11Å |
| 312 | Q | 49.3 | Very low | 59.5 | Low | 176 Ų | 176 | 95 Ų | 95 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | trans | -81.9 | 96.6 | -177.5 | -88.6 | 170.8 | -35.2 | 0 | 0 | 112.2 | ||||
| 313 | R | 52.3 | Low | 61.1 | Low | 229 Ų | 229 | 89.1 Ų | 89.1 | 86% | 0.864 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 139.1 | 164.6 | -70.6 | -179.7 | 171.8 | 161.5 | -2.6 | 109.4 | G311 R315 | G311-R313 PolarHBondContact O-N 3.27Å; G311-R313 VanDerWaalsContact O-N 3.11Å; R313-R315 PolarHBondContact O-N 3.05Å |
| 314 | S | 58.9 | Low | 63.4 | Low | 77 Ų | 77 | 85.6 Ų | 85.6 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 123.7 | 166.8 | 45.1 | 0 | 0 | 0 | 0 | 108.2 | E316 | S314-E316 PolarHBondContact O-N 3.17Š|
| 315 | R | 70.9 | Confident | 65.7 | Low | 157 Ų | 157 | 83.4 Ų | 83.4 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 117.9 | 173.9 | -68.7 | -176.4 | 178.5 | -174.5 | 0.3 | 106.8 | R313 T317 | R313-R315 PolarHBondContact O-N 3.05Å; R315-T317 PolarHBondContact O-N 3.46Å |
| 316 | E | 82.4 | Confident | 68 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 137.7 | 172.7 | -69.1 | 167.7 | -168.5 | 0 | 0 | 110.1 | S314 H328 I359 | S314-E316 PolarHBondContact O-N 3.17Å; E316-H328 HydrophobicContact CB-CB 3.95Å; E316-H328 WeakPolarHBondContact O-CB 3.33Å; E316-H328 PolarHBondContact O-N 3.01Å; E316-H328 IonicContact OE2-CD2 3.53Å; E316-I359 HydrophobicContact CB-CG2 4.46Å |
| 317 | T | 87.4 | Confident | 70.6 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.6 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | L300 R315 F326 L360 | L300-T317 HydrophobicContact CD2-CG2 4.26Å; L300-T317 VanDerWaalsContact O-CG2 3.29Å; L300-T317 WeakPolarHBondContact O-CG2 3.28Å; R315-T317 PolarHBondContact O-N 3.46Å; T317-F326 CarbonylContact C-O 3.54Å; T317-F326 WeakPolarHBondContact CA-O 3.31Å; T317-L360 PolarHBondContact O-N 3.29Å |
| 318 | A | 88.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | V325 F326 H328 L331 | A318-V325 WeakPolarHBondContact O-CA 3.2Å; A318-F326 PolarHBondContact N-O 3.14Å; A318-F326 PolarHBondContact O-N 3.34Å; A318-H328 HydrophobicContact CB-CB 4.37Å; A318-L331 HydrophobicContact CB-CD2 3.85Å |
| 319 | L | 88.4 | Confident | 75 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.3 | 171.3 | 176.7 | 64.8 | 0 | 0 | 0 | 109.1 | W278 I281 Q282 A285 V325 K357 K358 L360 | W278-L319 HydrophobicContact CE3-CD2 4.05Å; W278-L319 HydrophobicContact CE3-CG 4.39Å; W278-L319 HydrophobicContact CZ3-CD2 4.2Å; W278-L319 HydrophobicContact CZ3-CG 4.03Å; I281-L319 HydrophobicContact CG2-CD1 4.26Å; I281-L319 HydrophobicContact CG2-CD2 4.17Å; I281-L319 HydrophobicContact CG2-CG 4.26Å; Q282-L319 HydrophobicContact CB-CD2 3.91Å; Q282-L319 HydrophobicContact CG-CD2 4.33Å; A285-L319 HydrophobicContact CB-CD1 3.62Å; L319-V325 HydrophobicContact CD1-CG2 3.67Å; L319-K357 CarbonylContact O-C 3.57Å; L319-K357 WeakPolarHBondContact O-CA 3.18Å; L319-K358 PolarHBondContact N-O 3.49Å; L319-K358 PolarHBondContact O-N 3.4Å; L319-L360 HydrophobicContact CB-CD1 3.92Å; L319-L360 HydrophobicContact CB-CD2 4.29Å; L319-L360 HydrophobicContact CB-CG 4Å; L319-L360 HydrophobicContact CD2-CD2 4.44Å |
| 320 | L | 88.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 153.3 | 176.1 | -53.5 | -165.9 | 0 | 0 | 0 | 110.9 | C322 S323 H324 F326 L331 C348 Y355 Q356 K357 | L320-C322 PolarHBondContact O-N 3.46Å; L320-C322 VanDerWaalsContact O-N 3.08Å; L320-S323 WeakPolarHBondContact O-CA 3.45Å; L320-S323 PolarHBondContact O-N 2.91Å; L320-H324 WeakPolarHBondContact CB-O 3.08Å; L320-H324 PolarHBondContact N-O 3.06Å; L320-F326 HydrophobicContact CD1-CD2 3.76Å; L320-F326 HydrophobicContact CD1-CE2 3.5Å; L320-F326 VanDerWaalsContact CD1-CE2 3.5Å; L320-F326 HydrophobicContact CG-CD2 4.03Å; L320-F326 HydrophobicContact CG-CE2 4.13Å; L320-L331 HydrophobicContact CD1-CD1 4.25Å; L320-L331 HydrophobicContact CD2-CD1 4.2Å; L320-L331 HydrophobicContact CD2-CD2 3.58Å; L320-C348 HydrophobicContact CD1-CB 4Å; L320-Y355 HydrophobicContact CB-CD2 4.27Å; L320-Y355 HydrophobicContact CB-CG 4.19Å; L320-Y355 HydrophobicContact CD1-CD1 3.78Å; L320-Y355 HydrophobicContact CD1-CD2 3.9Å; L320-Y355 HydrophobicContact CD1-CE1 3.99Å; L320-Y355 HydrophobicContact CD1-CE2 4.11Å; L320-Y355 HydrophobicContact CD1-CG 3.71Å; L320-Y355 HydrophobicContact CD2-CD2 3.4Å; L320-Y355 VanDerWaalsContact CD2-CD2 3.4Å; L320-Y355 HydrophobicContact CD2-CE2 3.53Å; L320-Y355 HydrophobicContact CD2-CG 4.06Å; L320-Y355 HydrophobicContact CG-CD2 4.04Å; L320-Y355 HydrophobicContact CG-CE2 4.41Å; L320-Y355 HydrophobicContact CG-CG 4.2Å; L320-Q356 CarbonylContact C-O 3.6Å; L320-Q356 WeakPolarHBondContact CA-O 3.46Å; L320-K357 HydrophobicContact CD2-CB 3.85Å |
| 321 | S | 84.9 | Confident | 79.7 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.3 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 114 | S323 Y355 Q356 | S321-S323 PolarHBondContact O-N 2.86Å; S321-Y355 VanDerWaalsContact OG-CA 3.26Å; S321-Y355 WeakPolarHBondContact OG-CA 3.44Å; S321-Q356 PolarHBondContact N-O 2.79Å; S321-Q356 PolarHBondContact OG-N 3.31Å |
| 322 | C | 86 | Confident | 81.8 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 14% | 0.142 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 13.6 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | L320 H324 C351 | L320-C322 PolarHBondContact O-N 3.46Å; L320-C322 VanDerWaalsContact O-N 3.08Å; C322-H324 VanDerWaalsContact C-N 3.27Å; C322-H324 PolarHBondContact O-N 3.38Å; C322-H324 PolarHBondContact O-ND1 3.47Å; C322-H324 PolarHBondContact SG-ND1 3.08Å; C322-C351 VanDerWaalsContact CB-SG 3.57Å; C322-C351 VanDerWaalsContact SG-SG 3.62Å |
| 323 | S | 86.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 62.1 | 23.1 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 115.5 | A285 R288 L320 S321 | A285-S323 WeakPolarHBondContact CB-O 3.39Å; R288-S323 PolarHBondContact NE-OG 3.32Å; R288-S323 VanDerWaalsContact NE-OG 3.09Å; R288-S323 PolarHBondContact NH2-OG 3.03Å; L320-S323 WeakPolarHBondContact O-CA 3.45Å; L320-S323 PolarHBondContact O-N 2.91Å; S321-S323 PolarHBondContact O-N 2.86Å |
| 324 | H | 88 | Confident | 85.2 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | trans | -98.8 | 148.4 | 171.4 | -64 | 108.5 | 0 | 0 | 0 | 110.7 | R288 L320 C322 F326 L350 C351 | R288-H324 PolarHBondContact NH1-CE1 3.05Å; R288-H324 PolarHBondContact NH1-NE2 3.44Å; L320-H324 WeakPolarHBondContact CB-O 3.08Å; L320-H324 PolarHBondContact N-O 3.06Å; C322-H324 VanDerWaalsContact C-N 3.27Å; C322-H324 PolarHBondContact O-N 3.38Å; C322-H324 PolarHBondContact O-ND1 3.47Å; C322-H324 PolarHBondContact SG-ND1 3.08Å; H324-F326 HydrophobicContact CB-CE2 3.7Å; H324-F326 HydrophobicContact CB-CZ 4.09Å; H324-L350 HydrophobicContact CB-CD1 4.26Å; H324-L350 WeakPolarHBondContact CD2-CD1 3.05Å; H324-C351 VanDerWaalsContact CE1-SG 3.55Å | ||
| 325 | V | 88.3 | Confident | 86.5 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 12% | 0.121 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135 | -176.1 | -174.5 | 0 | 0 | 0 | 0 | 110 | A285 L300 A318 L319 | A285-V325 HydrophobicContact CB-CG2 4.07Å; L300-V325 HydrophobicContact CD1-CB 4.05Å; L300-V325 HydrophobicContact CD1-CG1 4.09Å; L300-V325 WeakPolarHBondContact CD1-O 3.25Å; L300-V325 HydrophobicContact CD2-CG1 4.29Å; A318-V325 WeakPolarHBondContact O-CA 3.2Å; L319-V325 HydrophobicContact CD1-CG2 3.67Å |
| 326 | F | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164.7 | 177.5 | -59.2 | -80.1 | 0 | 0 | 0 | 110.6 | I295 T317 A318 L320 H324 H328 L331 P349 L350 | I295-F326 HydrophobicContact CD1-CB 4.15Å; I295-F326 HydrophobicContact CD1-CD1 3.67Å; I295-F326 HydrophobicContact CD1-CE1 4.3Å; I295-F326 HydrophobicContact CD1-CG 3.95Å; I295-F326 HydrophobicContact CG1-CD1 3.71Å; I295-F326 HydrophobicContact CG1-CE1 4.04Å; I295-F326 HydrophobicContact CG1-CG 4.49Å; T317-F326 CarbonylContact C-O 3.54Å; T317-F326 WeakPolarHBondContact CA-O 3.31Å; A318-F326 PolarHBondContact N-O 3.14Å; A318-F326 PolarHBondContact O-N 3.34Å; L320-F326 HydrophobicContact CD1-CD2 3.76Å; L320-F326 HydrophobicContact CD1-CE2 3.5Å; L320-F326 VanDerWaalsContact CD1-CE2 3.5Å; L320-F326 HydrophobicContact CG-CD2 4.03Å; L320-F326 HydrophobicContact CG-CE2 4.13Å; H324-F326 HydrophobicContact CB-CE2 3.7Å; H324-F326 HydrophobicContact CB-CZ 4.09Å; F326-H328 PolarHBondContact O-N 2.82Å; F326-L331 HydrophobicContact CB-CB 4.46Å; F326-L331 HydrophobicContact CB-CD1 4.47Å; F326-L331 HydrophobicContact CD2-CD1 4.04Å; F326-L331 HydrophobicContact CG-CD1 4.4Å; F326-P349 HydrophobicContact CE1-CG 3.75Å; F326-P349 HydrophobicContact CE2-CG 4.11Å; F326-P349 HydrophobicContact CZ-CG 3.49Å; F326-P349 VanDerWaalsContact CZ-CG 3.49Å; F326-L350 HydrophobicContact CE1-CD1 4.14Å; F326-L350 HydrophobicContact CE1-CG 4.31Å; F326-L350 HydrophobicContact CZ-CD1 3.71Å; F326-L350 HydrophobicContact CZ-CG 3.88Å |
| 327 | H | 89.4 | Confident | 86.8 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.8 | 163.3 | -63.1 | 126.2 | 0 | 0 | 0 | 109.3 | C293 C296 P299 A329 C330 L331 | C293-H327 WeakPolarHBondContact CB-ND1 3.14Å; C293-H327 PolarHBondContact SG-N 3.35Å; C296-H327 PolarHBondContact SG-ND1 2.99Å; P299-H327 PolarHBondContact O-CE1 2.91Å; P299-H327 PolarHBondContact O-NE2 2.87Å; H327-A329 VanDerWaalsContact C-N 3.28Å; H327-A329 PolarHBondContact O-N 3.18Å; H327-C330 HydrophobicContact CB-CB 4.11Å; H327-C330 PolarHBondContact O-N 3.29Å; H327-L331 PolarHBondContact O-N 3.39Å |
| 328 | H | 88.2 | Confident | 86 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | -179.2 | -178.4 | 51.9 | 0 | 0 | 0 | 111.7 | E316 A318 F326 C330 L331 L332 | E316-H328 HydrophobicContact CB-CB 3.95Å; E316-H328 WeakPolarHBondContact O-CB 3.33Å; E316-H328 PolarHBondContact O-N 3.01Å; E316-H328 IonicContact OE2-CD2 3.53Å; A318-H328 HydrophobicContact CB-CB 4.37Å; F326-H328 PolarHBondContact O-N 2.82Å; H328-C330 PolarHBondContact O-N 3.4Å; H328-L331 PolarHBondContact O-N 3.45Å; H328-L332 WeakPolarHBondContact NE2-CD1 3.32Å; H328-L332 WeakPolarHBondContact O-CG 3.38Å; H328-L332 PolarHBondContact O-N 3.08Å |
| 329 | A | 87.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 60% | 0.603 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H327 A333 | H327-A329 VanDerWaalsContact C-N 3.28Å; H327-A329 PolarHBondContact O-N 3.18Å; A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 3.26Å; A329-A333 VanDerWaalsContact O-N 3.11Å |
| 330 | C | 87.8 | Confident | 82.7 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 177.9 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | I295 H327 H328 L334 | I295-C330 HydrophobicContact CB-CB 4Å; I295-C330 HydrophobicContact CD1-CB 4.06Å; I295-C330 HydrophobicContact CG2-CB 3.87Å; H327-C330 HydrophobicContact CB-CB 4.11Å; H327-C330 PolarHBondContact O-N 3.29Å; H328-C330 PolarHBondContact O-N 3.4Å; C330-L334 PolarHBondContact O-N 3.47Å |
| 331 | L | 88 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.3 | -45 | 175.9 | -167.9 | 76.4 | 0 | 0 | 0 | 111.3 | I295 A318 L320 F326 H327 H328 A333 L334 E335 Y355 K357 | I295-L331 HydrophobicContact CD1-CD1 4.42Å; A318-L331 HydrophobicContact CB-CD2 3.85Å; L320-L331 HydrophobicContact CD1-CD1 4.25Å; L320-L331 HydrophobicContact CD2-CD1 4.2Å; L320-L331 HydrophobicContact CD2-CD2 3.58Å; F326-L331 HydrophobicContact CB-CB 4.46Å; F326-L331 HydrophobicContact CB-CD1 4.47Å; F326-L331 HydrophobicContact CD2-CD1 4.04Å; F326-L331 HydrophobicContact CG-CD1 4.4Å; H327-L331 PolarHBondContact O-N 3.39Å; H328-L331 PolarHBondContact O-N 3.45Å; L331-A333 PolarHBondContact O-N 3.47Å; L331-L334 WeakPolarHBondContact O-CB 3.23Å; L331-L334 PolarHBondContact O-N 3.42Å; L331-E335 WeakPolarHBondContact O-CG 3.3Å; L331-E335 PolarHBondContact O-N 2.86Å; L331-Y355 HydrophobicContact CD1-CE2 4.33Å; L331-Y355 WeakPolarHBondContact CD1-OH 3.42Å; L331-Y355 HydrophobicContact CD2-CE2 4.08Å; L331-K357 HydrophobicContact CD2-CB 4.33Å; L331-K357 HydrophobicContact CD2-CD 3.81Å |
| 332 | L | 87.5 | Confident | 79.7 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.7 | -75.7 | 176.7 | 0 | 0 | 0 | 112.4 | H328 L334 E335 E336 | H328-L332 WeakPolarHBondContact NE2-CD1 3.32Å; H328-L332 WeakPolarHBondContact O-CG 3.38Å; H328-L332 PolarHBondContact O-N 3.08Å; L332-L334 VanDerWaalsContact C-N 3.28Å; L332-L334 PolarHBondContact O-N 2.98Å; L332-E335 PolarHBondContact O-N 2.93Å; L332-E336 PolarHBondContact O-N 2.92Å |
| 333 | A | 87.2 | Confident | 78.1 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A329 L331 E336 F337 | A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 3.26Å; A329-A333 VanDerWaalsContact O-N 3.11Å; L331-A333 PolarHBondContact O-N 3.47Å; A333-E336 PolarHBondContact O-N 3.32Å; A333-F337 WeakPolarHBondContact O-CD2 3.45Å; A333-F337 PolarHBondContact O-N 3.37Å |
| 334 | L | 85.7 | Confident | 76.6 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.5 | -175.2 | 68.3 | 0 | 0 | 0 | 112.1 | I295 C330 L331 L332 F337 S338 P349 | I295-L334 HydrophobicContact CD1-CD2 4.23Å; C330-L334 PolarHBondContact O-N 3.47Å; L331-L334 WeakPolarHBondContact O-CB 3.23Å; L331-L334 PolarHBondContact O-N 3.42Å; L332-L334 VanDerWaalsContact C-N 3.28Å; L332-L334 PolarHBondContact O-N 2.98Å; L334-F337 PolarHBondContact O-N 2.87Å; L334-S338 PolarHBondContact O-N 3.01Å; L334-S338 PolarHBondContact O-OG 3.1Å; L334-P349 HydrophobicContact CD2-CB 4.18Å; L334-P349 HydrophobicContact CD2-CG 4.09Å |
| 335 | E | 85.6 | Confident | 75.4 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.3 | -68.3 | 170.1 | 175.8 | 0 | 0 | 111.7 | L331 L332 F337 S338 H346 Y355 K357 | L331-E335 WeakPolarHBondContact O-CG 3.3Å; L331-E335 PolarHBondContact O-N 2.86Å; L332-E335 PolarHBondContact O-N 2.93Å; E335-F337 VanDerWaalsContact C-N 3.34Å; E335-F337 PolarHBondContact O-N 3.31Å; E335-S338 VanDerWaalsContact O-CB 3.27Å; E335-S338 WeakPolarHBondContact O-CB 3.28Å; E335-S338 PolarHBondContact O-N 3.43Å; E335-H346 HydrophobicContact CG-CB 4.41Å; E335-Y355 PolarHBondContact OE1-OH 2.92Å; E335-K357 IonicContact OE1-NZ 2.82Å; E335-K357 PolarHBondContact OE1-NZ 3.38Å; E335-K357 IonicContact OE2-NZ 2.62Å; E335-K357 PolarHBondContact OE2-NZ 3.25Å |
| 336 | E | 82.6 | Confident | 74.8 | Confident | 165 Ų | 165 | 68.2 Ų | 68.2 | 77% | 0.771 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.6 | -34.2 | 179 | -170.2 | 175.5 | -172.2 | 0 | 0 | 113 | L332 A333 S338 | L332-E336 PolarHBondContact O-N 2.92Å; A333-E336 PolarHBondContact O-N 3.32Å; E336-S338 PolarHBondContact O-N 3.46Å |
| 337 | F | 77.9 | Confident | 74.5 | Confident | 179 Ų | 179 | 70.7 Ų | 70.7 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.1 | -16 | 172.9 | -79.3 | -71.4 | 0 | 0 | 0 | 113.4 | A333 L334 E335 V339 | A333-F337 WeakPolarHBondContact O-CD2 3.45Å; A333-F337 PolarHBondContact O-N 3.37Å; L334-F337 PolarHBondContact O-N 2.87Å; E335-F337 VanDerWaalsContact C-N 3.34Å; E335-F337 PolarHBondContact O-N 3.31Å; F337-V339 VanDerWaalsContact C-N 3.31Å; F337-V339 PolarHBondContact O-N 3.33Å |
| 338 | S | 70.8 | Confident | 74.2 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | trans | -84.3 | 67.9 | -178.5 | -48.8 | 0 | 0 | 0 | 0 | 110.8 | L334 E335 E336 G340 | L334-S338 PolarHBondContact O-N 3.01Å; L334-S338 PolarHBondContact O-OG 3.1Å; E335-S338 VanDerWaalsContact O-CB 3.27Å; E335-S338 WeakPolarHBondContact O-CB 3.28Å; E335-S338 PolarHBondContact O-N 3.43Å; E336-S338 PolarHBondContact O-N 3.46Å; S338-G340 PolarHBondContact O-N 3.41Å | ||
| 339 | V | 53.1 | Low | 74 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 86% | 0.861 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 104.5 | -177.2 | -178 | 0 | 0 | 0 | 0 | 110.8 | F337 | F337-V339 VanDerWaalsContact C-N 3.31Å; F337-V339 PolarHBondContact O-N 3.33Å |
| 340 | G | 53.7 | Low | 73.8 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 73% | 0.732 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131.2 | -21.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S338 R342 | S338-G340 PolarHBondContact O-N 3.41Å; G340-R342 PolarHBondContact O-N 3.45Å |
| 341 | D | 56.6 | Low | 73.5 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | trans | -88.9 | 93.9 | 176.9 | -63.8 | -32.6 | 0 | 0 | 0 | 108.7 | F345 H346 | D341-F345 HydrophobicContact CB-CB 4.03Å; D341-H346 PolarHBondContact O-CE1 3.41Å | ||
| 342 | R | 54.6 | Low | 73.2 | Confident | 208 Ų | 208 | 83.8 Ų | 83.8 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | trans | -67.5 | 146.8 | 166.5 | -70.2 | -179.6 | 178.1 | 172.2 | -0.9 | 108.3 | G340 F345 | G340-R342 PolarHBondContact O-N 3.45Å; R342-F345 WeakPolarHBondContact O-CD2 3.3Å; R342-F345 PolarHBondContact O-N 3.25Å | ||
| 343 | P | 52.3 | Low | 72.8 | Confident | 98 Ų | 98 | 83.1 Ų | 83.1 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 128.4 | 169.9 | 21.3 | -32 | 0 | 0 | 0 | 108.2 | ||
| 344 | P | 55 | Low | 72.4 | Confident | 39 Ų | 39 | 85 Ų | 85 | 25% | 0.253 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -104.8 | 17.7 | 25.3 | 39.3 | -36.2 | 0 | 0 | 0 | 117 | E266 H346 | E266-P344 VanDerWaalsContact CD-CD 3.42Å; E266-P344 VanDerWaalsContact CG-CD 3.5Å; E266-P344 HydrophobicContact CG-CG 3.41Å; E266-P344 VanDerWaalsContact CG-CG 3.41Å; E266-P344 WeakPolarHBondContact OE1-CD 3.47Å; P344-H346 VanDerWaalsContact C-N 3.3Å; P344-H346 PolarHBondContact O-N 3.02Å |
| 345 | F | 61.7 | Low | 72.1 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 24% | 0.237 | 45% | 0.448 | C | S | . | . | trans | -84.5 | 19.3 | -170.1 | -62.5 | -73.9 | 0 | 0 | 0 | 116.3 | E266 D341 R342 A347 | E266-F345 HydrophobicContact CB-CE2 4.45Å; E266-F345 HydrophobicContact CB-CZ 3.88Å; E266-F345 HydrophobicContact CG-CE2 4.04Å; E266-F345 HydrophobicContact CG-CZ 3.89Å; E266-F345 WeakPolarHBondContact OE2-CE2 3.26Å; D341-F345 HydrophobicContact CB-CB 4.03Å; R342-F345 WeakPolarHBondContact O-CD2 3.3Å; R342-F345 PolarHBondContact O-N 3.25Å; F345-A347 PolarHBondContact O-N 2.93Å | ||
| 346 | H | 76.3 | Confident | 71.9 | Confident | 27 Ų | 27 | 84.1 Ų | 84.1 | 13% | 0.125 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 125.6 | 174.4 | -60.8 | -50.4 | 0 | 0 | 0 | 110.8 | E335 D341 P344 C354 Y355 | E335-H346 HydrophobicContact CG-CB 4.41Å; D341-H346 PolarHBondContact O-CE1 3.41Å; P344-H346 VanDerWaalsContact C-N 3.3Å; P344-H346 PolarHBondContact O-N 3.02Å; H346-C354 WeakPolarHBondContact O-CA 3.45Å; H346-Y355 HydrophobicContact CB-CE1 3.76Å; H346-Y355 HydrophobicContact CB-CE2 4.29Å; H346-Y355 WeakPolarHBondContact O-CD1 3.27Å; H346-Y355 WeakPolarHBondContact O-CE1 3.44Å; H346-Y355 PolarHBondContact O-N 3.21Å |
| 347 | A | 81.8 | Confident | 72.1 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 134.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F345 Y355 | F345-A347 PolarHBondContact O-N 2.93Å; A347-Y355 VanDerWaalsContact C-CE1 3.43Å |
| 348 | C | 84.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 133 | 179.2 | 170.4 | 0 | 0 | 0 | 0 | 110 | L320 L350 R352 S353 Y355 | L320-C348 HydrophobicContact CD1-CB 4Å; C348-L350 PolarHBondContact O-N 3.37Å; C348-L350 VanDerWaalsContact O-N 3.14Å; C348-L350 PolarHBondContact SG-N 3.46Å; C348-R352 WeakPolarHBondContact O-CA 3.17Å; C348-R352 PolarHBondContact O-N 2.87Å; C348-S353 PolarHBondContact N-O 2.92Å; C348-Y355 HydrophobicContact CB-CD1 3.87Å; C348-Y355 HydrophobicContact CB-CE1 4.4Å; C348-Y355 VanDerWaalsContact N-CD1 3.34Å |
| 349 | P | 83.1 | Confident | 73.2 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.4 | -177.6 | 25.1 | -34.5 | 0 | 0 | 0 | 113.5 | I295 F326 L334 | I295-P349 HydrophobicContact CD1-CG 4.36Å; I295-P349 HydrophobicContact CG1-CG 4.18Å; F326-P349 HydrophobicContact CE1-CG 3.75Å; F326-P349 HydrophobicContact CE2-CG 4.11Å; F326-P349 HydrophobicContact CZ-CG 3.49Å; F326-P349 VanDerWaalsContact CZ-CG 3.49Å; L334-P349 HydrophobicContact CD2-CB 4.18Å; L334-P349 HydrophobicContact CD2-CG 4.09Å |
| 350 | L | 83.8 | Confident | 74.5 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -51.4 | -179.5 | -68.8 | 175.4 | 0 | 0 | 0 | 112.9 | H324 F326 C348 | H324-L350 HydrophobicContact CB-CD1 4.26Å; H324-L350 WeakPolarHBondContact CD2-CD1 3.05Å; F326-L350 HydrophobicContact CE1-CD1 4.14Å; F326-L350 HydrophobicContact CE1-CG 4.31Å; F326-L350 HydrophobicContact CZ-CD1 3.71Å; F326-L350 HydrophobicContact CZ-CG 3.88Å; C348-L350 PolarHBondContact O-N 3.37Å; C348-L350 VanDerWaalsContact O-N 3.14Å; C348-L350 PolarHBondContact SG-N 3.46Å |
| 351 | C | 82.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -2.6 | -173.2 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | C322 H324 S353 | C322-C351 VanDerWaalsContact CB-SG 3.57Å; C322-C351 VanDerWaalsContact SG-SG 3.62Å; H324-C351 VanDerWaalsContact CE1-SG 3.55Å; C351-S353 PolarHBondContact O-N 3.48Å; C351-S353 PolarHBondContact O-OG 2.92Å; C351-S353 PolarHBondContact SG-OG 3.26Å |
| 352 | R | 81.1 | Confident | 75 | Confident | 216 Ų | 216 | 79.1 Ų | 79.1 | 82% | 0.815 | 41% | 0.414 | S | S | * | . | trans | 57.6 | 8.1 | -178.3 | -57.4 | -179.2 | 175.3 | 172.9 | -2.6 | 115.2 | C348 | C348-R352 WeakPolarHBondContact O-CA 3.17Å; C348-R352 PolarHBondContact O-N 2.87Å | ||
| 353 | S | 78.3 | Confident | 76 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | trans | -72.2 | 143.2 | 173.6 | -44.4 | 0 | 0 | 0 | 0 | 109.8 | C348 C351 | C348-S353 PolarHBondContact N-O 2.92Å; C351-S353 PolarHBondContact O-N 3.48Å; C351-S353 PolarHBondContact O-OG 2.92Å; C351-S353 PolarHBondContact SG-OG 3.26Å | ||
| 354 | C | 78.4 | Confident | 77.2 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 54% | 0.541 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -59.7 | 141.3 | 167.5 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | H346 | H346-C354 WeakPolarHBondContact O-CA 3.45Å |
| 355 | Y | 79.4 | Confident | 78.5 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 6% | 0.059 | 39% | 0.39 | C | S | . | . | trans | -133.9 | 147.8 | -176.9 | 65.9 | -95.4 | 0 | 0 | 0 | 114 | L320 S321 L331 E335 H346 A347 C348 K357 | L320-Y355 HydrophobicContact CB-CD2 4.27Å; L320-Y355 HydrophobicContact CB-CG 4.19Å; L320-Y355 HydrophobicContact CD1-CD1 3.78Å; L320-Y355 HydrophobicContact CD1-CD2 3.9Å; L320-Y355 HydrophobicContact CD1-CE1 3.99Å; L320-Y355 HydrophobicContact CD1-CE2 4.11Å; L320-Y355 HydrophobicContact CD1-CG 3.71Å; L320-Y355 HydrophobicContact CD2-CD2 3.4Å; L320-Y355 VanDerWaalsContact CD2-CD2 3.4Å; L320-Y355 HydrophobicContact CD2-CE2 3.53Å; L320-Y355 HydrophobicContact CD2-CG 4.06Å; L320-Y355 HydrophobicContact CG-CD2 4.04Å; L320-Y355 HydrophobicContact CG-CE2 4.41Å; L320-Y355 HydrophobicContact CG-CG 4.2Å; S321-Y355 VanDerWaalsContact OG-CA 3.26Å; S321-Y355 WeakPolarHBondContact OG-CA 3.44Å; L331-Y355 HydrophobicContact CD1-CE2 4.33Å; L331-Y355 WeakPolarHBondContact CD1-OH 3.42Å; L331-Y355 HydrophobicContact CD2-CE2 4.08Å; E335-Y355 PolarHBondContact OE1-OH 2.92Å; H346-Y355 HydrophobicContact CB-CE1 3.76Å; H346-Y355 HydrophobicContact CB-CE2 4.29Å; H346-Y355 WeakPolarHBondContact O-CD1 3.27Å; H346-Y355 WeakPolarHBondContact O-CE1 3.44Å; H346-Y355 PolarHBondContact O-N 3.21Å; A347-Y355 VanDerWaalsContact C-CE1 3.43Å; C348-Y355 HydrophobicContact CB-CD1 3.87Å; C348-Y355 HydrophobicContact CB-CE1 4.4Å; C348-Y355 VanDerWaalsContact N-CD1 3.34Å; Y355-K357 HydrophobicContact CD2-CB 4.35Å; Y355-K357 HydrophobicContact CE2-CB 4.37Å | ||
| 356 | Q | 82.7 | Confident | 79.5 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 24% | 0.238 | 40% | 0.398 | C | S | . | . | trans | -94.1 | 155 | 155.4 | -67.1 | 174.7 | 17.2 | 0 | 0 | 108.1 | H271 I273 W278 L320 S321 | H271-Q356 PolarHBondContact O-NE2 3.22Å; I273-Q356 HydrophobicContact CD1-CB 4.05Å; I273-Q356 HydrophobicContact CD1-CG 4.44Å; I273-Q356 VanDerWaalsContact N-OE1 3.09Å; W278-Q356 HydrophobicContact CH2-CB 4.41Å; W278-Q356 WeakPolarHBondContact CH2-O 3.41Å; W278-Q356 HydrophobicContact CZ2-CB 4.04Å; L320-Q356 CarbonylContact C-O 3.6Å; L320-Q356 WeakPolarHBondContact CA-O 3.46Å; S321-Q356 PolarHBondContact N-O 2.79Å; S321-Q356 PolarHBondContact OG-N 3.31Å | ||
| 357 | K | 85.8 | Confident | 79.7 | Confident | 77 Ų | 77 | 77.2 Ų | 77.2 | 34% | 0.335 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139 | -179 | 65.4 | -176.2 | 175.4 | -170.7 | 0 | 111.2 | L319 L320 L331 E335 Y355 | L319-K357 CarbonylContact O-C 3.57Å; L319-K357 WeakPolarHBondContact O-CA 3.18Å; L320-K357 HydrophobicContact CD2-CB 3.85Å; L331-K357 HydrophobicContact CD2-CB 4.33Å; L331-K357 HydrophobicContact CD2-CD 3.81Å; E335-K357 IonicContact OE1-NZ 2.82Å; E335-K357 PolarHBondContact OE1-NZ 3.38Å; E335-K357 IonicContact OE2-NZ 2.62Å; E335-K357 PolarHBondContact OE2-NZ 3.25Å; Y355-K357 HydrophobicContact CD2-CB 4.35Å; Y355-K357 HydrophobicContact CE2-CB 4.37Å |
| 358 | K | 86.1 | Confident | 79.5 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.9 | 169.9 | -173.9 | 168.5 | -177 | 162.5 | 0 | 108.2 | E275 W278 L319 L360 | E275-K358 IonicContact OE1-NZ 2.85Å; E275-K358 PolarHBondContact OE1-NZ 3.19Å; E275-K358 IonicContact OE2-NZ 2.65Å; E275-K358 PolarHBondContact OE2-NZ 3.32Å; W278-K358 HydrophobicContact CB-CD 4Å; W278-K358 HydrophobicContact CD2-CB 3.96Å; W278-K358 HydrophobicContact CD2-CD 3.73Å; W278-K358 HydrophobicContact CD2-CG 4.49Å; W278-K358 HydrophobicContact CE3-CB 3.82Å; W278-K358 HydrophobicContact CE3-CD 4.06Å; W278-K358 HydrophobicContact CG-CD 3.7Å; W278-K358 HydrophobicContact CH2-CB 3.8Å; W278-K358 HydrophobicContact CZ2-CB 3.95Å; W278-K358 HydrophobicContact CZ3-CB 3.74Å; L319-K358 PolarHBondContact N-O 3.49Å; L319-K358 PolarHBondContact O-N 3.4Å; K358-L360 PolarHBondContact O-N 3.28Å |
| 359 | I | 86.2 | Confident | 79.1 | Confident | 75 Ų | 75 | 84.5 Ų | 84.5 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.2 | 175.4 | -56.8 | 173.6 | 0 | 0 | 0 | 106.8 | E316 | E316-I359 HydrophobicContact CB-CG2 4.46Å |
| 360 | L | 80.8 | Confident | 78.8 | Confident | 37 Ų | 37 | 86.5 Ų | 86.5 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.2 | 173.5 | -59.9 | 178.8 | 0 | 0 | 0 | 107.2 | T317 L319 K358 | T317-L360 PolarHBondContact O-N 3.29Å; L319-L360 HydrophobicContact CB-CD1 3.92Å; L319-L360 HydrophobicContact CB-CD2 4.29Å; L319-L360 HydrophobicContact CB-CG 4Å; L319-L360 HydrophobicContact CD2-CD2 4.44Å; K358-L360 PolarHBondContact O-N 3.28Å |
| 361 | E | 65.3 | Low | 78.4 | Confident | 185 Ų | 185 | 86.8 Ų | 86.8 | 86% | 0.864 | 45% | 0.45 | S | S | * | . | trans | -68.3 | 132.6 | 168.8 | -65.2 | -175.4 | 169.6 | 0 | 0 | 108.9 | ||||
| 362 | S | 54.6 | Low | 78.1 | Confident | 143 Ų | 143 | 90.2 Ų | 90.2 | 100% | 1 | 46% | 0.461 | S | S | * | . | trans | -82.2 | 0 | -175.9 | 61.9 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 362 of 362 residues in 128.3 ms
(Link to these results)