| 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 | 42.5 | Very low | 56.5 | Low | 243 Ų | 243 | 139 Ų | 139 | 100% | 1.197 | 69% | 0.691 | S | S | * | * | 0 | 40 | 0 | -162.5 | 155 | 167.7 | 0 | 0 | 112.7 | |||||
| 2 | S | 47.3 | Very low | 57.2 | Low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -116.6 | -21.5 | -177.1 | 174.7 | 0 | 0 | 0 | 0 | 113.5 | H4 | S2-H4 PolarHBondContact O-N 2.98Š| ||
| 3 | L | 49.7 | Very low | 57.8 | Low | 161 Ų | 161 | 133.3 Ų | 133.3 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -26.7 | -177.2 | -125.6 | 79.4 | 0 | 0 | 0 | 114.1 | M5 | L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.27Å |
| 4 | H | 47.8 | Very low | 58 | Low | 167 Ų | 167 | 131.6 Ų | 131.6 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.9 | -18.8 | -174 | -134.8 | -79.9 | 0 | 0 | 0 | 113.7 | S2 | S2-H4 PolarHBondContact O-N 2.98Å |
| 5 | M | 52.6 | Low | 58.2 | Low | 141 Ų | 141 | 129.5 Ų | 129.5 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.7 | -20.3 | 179.3 | -113 | 161.2 | 69.6 | 0 | 0 | 113.2 | L3 | L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.27Å |
| 6 | S | 61.1 | Low | 58.2 | Low | 79 Ų | 79 | 126.4 Ų | 126.4 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.9 | -42.4 | -179 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | H8 R9 V10 | S6-H8 VanDerWaalsContact C-N 3.35Å; S6-H8 PolarHBondContact O-N 3.5Å; S6-R9 PolarHBondContact O-N 3.23Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.02Å; S6-V10 VanDerWaalsContact O-N 3.1Å |
| 7 | Y | 61.6 | Low | 58.1 | Low | 172 Ų | 172 | 124.4 Ų | 124.4 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.3 | -39 | -178.7 | -163.4 | -100.1 | 0 | 0 | 0 | 112.5 | R9 V10 L11 | Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.44Å; Y7-V10 PolarHBondContact O-N 3.01Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.36Å |
| 8 | H | 61.2 | Low | 58 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.2 | -29.9 | 178.6 | -148.9 | -50.6 | 0 | 0 | 0 | 112.6 | S6 L12 | S6-H8 VanDerWaalsContact C-N 3.35Å; S6-H8 PolarHBondContact O-N 3.5Å; H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | R | 64.7 | Low | 57.7 | Low | 182 Ų | 182 | 124.8 Ų | 124.8 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73 | -41.3 | 174.1 | -74.2 | -174.9 | 173.9 | -163 | -1.4 | 111.8 | S6 Y7 L12 V13 | S6-R9 PolarHBondContact O-N 3.23Å; Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.44Å; R9-L12 PolarHBondContact O-N 3.24Å; R9-V13 VanDerWaalsContact O-CG2 3.23Å; R9-V13 WeakPolarHBondContact O-CG2 3.35Å; R9-V13 PolarHBondContact O-N 3.35Å |
| 10 | V | 66.1 | Low | 57.2 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 49% | 0.491 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | 178.1 | 177 | 0 | 0 | 0 | 0 | 111.2 | S6 Y7 V13 L14 | S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.02Å; S6-V10 VanDerWaalsContact O-N 3.1Å; Y7-V10 PolarHBondContact O-N 3.01Å; V10-V13 PolarHBondContact O-N 2.8Å; V10-L14 HydrophobicContact CG1-CD1 4.15Å; V10-L14 PolarHBondContact O-N 2.85Å; V10-L14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 66.6 | Low | 57.2 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 44% | 0.435 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.2 | -39.7 | 176.9 | -163.7 | 74.1 | 0 | 0 | 0 | 111.8 | Y7 L14 L15 | Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.13Å |
| 12 | L | 65.2 | Low | 57.3 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 52% | 0.518 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 176.6 | -134.1 | 100.1 | 0 | 0 | 0 | 111.8 | H8 R9 L14 L15 V16 | H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 3.24Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L15 PolarHBondContact O-N 3.12Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.1Å |
| 13 | V | 64.6 | Low | 57.2 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.8 | -39.6 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111 | R9 V10 C17 | R9-V13 VanDerWaalsContact O-CG2 3.23Å; R9-V13 WeakPolarHBondContact O-CG2 3.35Å; R9-V13 PolarHBondContact O-N 3.35Å; V10-V13 PolarHBondContact O-N 2.8Å; V13-C17 VanDerWaalsContact O-CB 3.3Å; V13-C17 WeakPolarHBondContact O-CB 3.28Å; V13-C17 PolarHBondContact O-N 2.89Å |
| 14 | L | 60.7 | Low | 56.8 | Low | 109 Ų | 109 | 112 Ų | 112 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.6 | -41 | 174.6 | -76.5 | 164.2 | 0 | 0 | 0 | 112.1 | V10 L11 L12 C17 V18 | V10-L14 HydrophobicContact CG1-CD1 4.15Å; V10-L14 PolarHBondContact O-N 2.85Å; V10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L14-C17 PolarHBondContact O-N 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.19Å |
| 15 | L | 60.8 | Low | 56.7 | Low | 100 Ų | 100 | 108.4 Ų | 108.4 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.2 | -39.7 | -178.9 | -140.4 | 107.1 | 0 | 0 | 0 | 112.3 | L11 L12 C17 V18 L19 | L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.12Å; L15-C17 VanDerWaalsContact C-N 3.28Å; L15-C17 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 3Å; L15-L19 HydrophobicContact CD2-CD1 3.53Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 3.31Å |
| 16 | V | 58.9 | Low | 56.3 | Low | 80 Ų | 80 | 109.6 Ų | 109.6 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.6 | -32.3 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L12 T20 | L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.1Å; V16-T20 PolarHBondContact O-N 3.39Å; V16-T20 VanDerWaalsContact O-N 3.14Å; V16-T20 PolarHBondContact O-OG1 3.46Å |
| 17 | C | 56.5 | Low | 55.3 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 62% | 0.622 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.2 | -27.4 | 179.2 | -156.7 | 0 | 0 | 0 | 0 | 113.2 | V13 L14 L15 | V13-C17 VanDerWaalsContact O-CB 3.3Å; V13-C17 WeakPolarHBondContact O-CB 3.28Å; V13-C17 PolarHBondContact O-N 2.89Å; L14-C17 PolarHBondContact O-N 3.49Å; L15-C17 VanDerWaalsContact C-N 3.28Å; L15-C17 PolarHBondContact O-N 3.3Å |
| 18 | V | 56.4 | Low | 54.4 | Low | 125 Ų | 125 | 109 Ų | 109 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.9 | -34.7 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | L14 L15 | L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.19Å; L15-V18 PolarHBondContact O-N 3Å |
| 19 | L | 52 | Low | 53.2 | Low | 132 Ų | 132 | 109.7 Ų | 109.7 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.8 | -22.6 | -176.1 | -77.3 | 159.7 | 0 | 0 | 0 | 114.4 | L15 | L15-L19 HydrophobicContact CD2-CD1 3.53Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 3.31Å |
| 20 | T | 46.9 | Very low | 52.3 | Low | 67 Ų | 67 | 105.5 Ų | 105.5 | 41% | 0.411 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -102.6 | 113.6 | 169.9 | 64.4 | 0 | 0 | 0 | 0 | 107.5 | V16 S22 | V16-T20 PolarHBondContact O-N 3.39Å; V16-T20 VanDerWaalsContact O-N 3.14Å; V16-T20 PolarHBondContact O-OG1 3.46Å; T20-S22 PolarHBondContact O-N 2.66Å |
| 21 | S | 58.2 | Low | 51.4 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 88% | 0.881 | 65% | 0.653 | S | S | * | * | trans | -65.9 | 39.6 | 173 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 22 | S | 45.1 | Very low | 51 | Low | 90 Ų | 90 | 107.5 Ų | 107.5 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | trans | -106.7 | 36.3 | -174.4 | -51.2 | 0 | 0 | 0 | 0 | 110.2 | T20 A24 | T20-S22 PolarHBondContact O-N 2.66Å; S22-A24 PolarHBondContact O-N 2.92Å | ||
| 23 | C | 45.1 | Very low | 51.8 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 83% | 0.831 | 65% | 0.649 | S | S | * | * | trans | -84.2 | 60.9 | 145.5 | -135 | 0 | 0 | 0 | 0 | 106.8 | A25 | C23-A25 VanDerWaalsContact C-N 3.28Å; C23-A25 PolarHBondContact O-N 3.31Å | ||
| 24 | A | 41 | Very low | 53.1 | Low | 79 Ų | 79 | 108 Ų | 108 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | trans | -59.6 | 105.7 | 160 | 0 | 0 | 0 | 0 | 0 | 104.4 | S22 Q26 | S22-A24 PolarHBondContact O-N 2.92Å; A24-Q26 PolarHBondContact O-N 3.35Å | ||
| 25 | A | 46.3 | Very low | 54.7 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 76% | 0.76 | 62% | 0.616 | S | S | * | * | trans | -43.3 | 112.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106 | C23 S27 | C23-A25 VanDerWaalsContact C-N 3.28Å; C23-A25 PolarHBondContact O-N 3.31Å; A25-S27 PolarHBondContact O-N 2.9Å | ||
| 26 | Q | 43.1 | Very low | 56.3 | Low | 166 Ų | 166 | 102.6 Ų | 102.6 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -61.8 | 98.6 | 171.9 | -68.4 | 179.9 | 9 | 0 | 0 | 104.8 | A24 L28 | A24-Q26 PolarHBondContact O-N 3.35Å; Q26-L28 HydrophobicContact CB-CD1 4.39Å; Q26-L28 HydrophobicContact CB-CG 4.46Å; Q26-L28 PolarHBondContact O-N 3.38Å | ||
| 27 | S | 39.6 | Very low | 58 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -66.1 | 77.1 | 160.6 | 173 | 0 | 0 | 0 | 0 | 105.2 | A25 T29 | A25-S27 PolarHBondContact O-N 2.9Å; S27-T29 VanDerWaalsContact C-N 3.29Å; S27-T29 PolarHBondContact O-N 2.92Å | ||
| 28 | L | 44.3 | Very low | 59.7 | Low | 133 Ų | 133 | 98.3 Ų | 98.3 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | trans | -57.7 | 104.6 | 163 | -80.3 | 138.3 | 0 | 0 | 0 | 104.6 | Q26 H30 | Q26-L28 HydrophobicContact CB-CD1 4.39Å; Q26-L28 HydrophobicContact CB-CG 4.46Å; Q26-L28 PolarHBondContact O-N 3.38Å; L28-H30 PolarHBondContact O-N 2.69Å | ||
| 29 | T | 35.6 | Very low | 61.4 | Low | 134 Ų | 134 | 92.5 Ų | 92.5 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | trans | -67 | 68.6 | 165.1 | 52.6 | 0 | 0 | 0 | 0 | 106.9 | S27 T31 | S27-T29 VanDerWaalsContact C-N 3.29Å; S27-T29 PolarHBondContact O-N 2.92Å; T29-T31 PolarHBondContact O-N 2.88Å | ||
| 30 | H | 45.8 | Very low | 63.1 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 44% | 0.44 | 55% | 0.546 | S | S | . | . | trans | -79.4 | 120.4 | 174.1 | -167.1 | -67.7 | 0 | 0 | 0 | 105.1 | L28 D32 R48 | L28-H30 PolarHBondContact O-N 2.69Å; H30-D32 WeakPolarHBondContact CB-OD1 3.36Å; H30-D32 IonicContact CE1-OD1 3.2Å; H30-D32 IonicContact CG-OD1 2.85Å; H30-D32 VanDerWaalsContact ND1-CA 3.28Å; H30-D32 WeakPolarHBondContact ND1-CA 3.45Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.81Å; H30-D32 PolarHBondContact ND1-OD1 2.92Å; H30-D32 PolarHBondContact O-N 3.46Å; H30-R48 PolarHBondContact CD2-NH2 3.39Å; H30-R48 PolarHBondContact CE1-NH2 2.91Å; H30-R48 VanDerWaalsContact CG-NH2 3.26Å; H30-R48 PolarHBondContact ND1-NH2 3.21Å; H30-R48 PolarHBondContact NE2-NH2 2.71Å | ||
| 31 | T | 47.8 | Very low | 65 | Low | 136 Ų | 136 | 89.4 Ų | 89.4 | 83% | 0.834 | 54% | 0.535 | S | S | * | . | trans | -60.6 | 80.7 | 157.6 | 30.2 | 0 | 0 | 0 | 0 | 106.4 | T29 N33 | T29-T31 PolarHBondContact O-N 2.88Å; T31-N33 PolarHBondContact O-N 3.47Å | ||
| 32 | D | 57.4 | Low | 66.6 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | trans | -64.8 | 105.2 | -174.4 | -73.2 | -45.4 | 0 | 0 | 0 | 107.9 | H30 Y34 R48 | H30-D32 WeakPolarHBondContact CB-OD1 3.36Å; H30-D32 IonicContact CE1-OD1 3.2Å; H30-D32 IonicContact CG-OD1 2.85Å; H30-D32 VanDerWaalsContact ND1-CA 3.28Å; H30-D32 WeakPolarHBondContact ND1-CA 3.45Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.81Å; H30-D32 PolarHBondContact ND1-OD1 2.92Å; H30-D32 PolarHBondContact O-N 3.46Å; D32-Y34 HydrophobicContact CB-CD1 3.46Å; D32-Y34 VanDerWaalsContact CB-CD1 3.46Å; D32-Y34 HydrophobicContact CB-CE1 4.08Å; D32-Y34 HydrophobicContact CB-CG 4.47Å; D32-Y34 WeakPolarHBondContact O-CD1 3.25Å; D32-Y34 PolarHBondContact O-N 3.25Å; D32-R48 IonicContact OD1-CZ 3.67Å; D32-R48 IonicContact OD1-NH1 2.89Å; D32-R48 PolarHBondContact OD1-NH1 2.98Å; D32-R48 IonicContact OD1-NH2 2.91Å; D32-R48 PolarHBondContact OD1-NH2 3.14Å | ||
| 33 | N | 82.6 | Confident | 68.9 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | trans | -76.9 | 69.3 | 165.6 | -167.6 | -1.6 | 0 | 0 | 0 | 107.1 | T31 A67 | T31-N33 PolarHBondContact O-N 3.47Å; N33-A67 WeakPolarHBondContact OD1-CB 3.47Å; N33-A67 PolarHBondContact OD1-N 2.72Å; N33-A67 VanDerWaalsContact OD1-N 3.16Å | ||
| 34 | Y | 92.2 | Very high | 71.2 | Confident | 121 Ų | 121 | 74.7 Ų | 74.7 | 48% | 0.475 | 43% | 0.433 | S | S | . | . | trans | -99.6 | 153.3 | 178.5 | 64.9 | -87.8 | 0 | 0 | 0 | 110.6 | D32 F46 A67 | D32-Y34 HydrophobicContact CB-CD1 3.46Å; D32-Y34 VanDerWaalsContact CB-CD1 3.46Å; D32-Y34 HydrophobicContact CB-CE1 4.08Å; D32-Y34 HydrophobicContact CB-CG 4.47Å; D32-Y34 WeakPolarHBondContact O-CD1 3.25Å; D32-Y34 PolarHBondContact O-N 3.25Å; Y34-F46 HydrophobicContact CD2-CD2 4Å; Y34-F46 AromaticContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CE2-CE2 4.5Å; Y34-F46 AromaticContact CG-CE2 3.77Å; Y34-F46 HydrophobicContact CG-CE2 3.77Å; Y34-A67 WeakPolarHBondContact O-CB 3.27Å | ||
| 35 | T | 93 | Very high | 73.8 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.037 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.7 | 170.7 | -54.7 | 0 | 0 | 0 | 0 | 108.4 | F37 F46 A47 A67 L70 | T35-F37 HydrophobicContact CG2-CD2 3.99Å; T35-F37 HydrophobicContact CG2-CE1 4.06Å; T35-F37 HydrophobicContact CG2-CE2 3.43Å; T35-F37 VanDerWaalsContact CG2-CE2 3.43Å; T35-F37 HydrophobicContact CG2-CZ 3.5Å; T35-F37 VanDerWaalsContact CG2-CZ 3.5Å; T35-F46 CarbonylContact O-C 3.57Å; T35-F46 VanDerWaalsContact O-CA 3.31Å; T35-F46 WeakPolarHBondContact O-CA 3.44Å; T35-A47 PolarHBondContact N-O 3.39Å; T35-A47 PolarHBondContact O-N 3.38Å; T35-A67 WeakPolarHBondContact OG1-CB 3.5Å; T35-L70 HydrophobicContact CG2-CB 4.3Å; T35-L70 HydrophobicContact CG2-CD1 4.05Å; T35-L70 WeakPolarHBondContact OG1-CD1 3.25Å |
| 36 | Y | 94.1 | Very high | 76.1 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 35% | 0.349 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.2 | 171.8 | 172.3 | -100.9 | 0 | 0 | 0 | 109.5 | N38 A44 F45 F46 G187 F189 | Y36-N38 HydrophobicContact CE1-CB 3.88Å; Y36-A44 HydrophobicContact CE2-CB 4.4Å; Y36-F45 CarbonylContact C-O 3.54Å; Y36-F45 WeakPolarHBondContact CA-O 3.48Å; Y36-F45 WeakPolarHBondContact CD2-O 3.4Å; Y36-F46 HydrophobicContact CD2-CB 4.34Å; Y36-G187 PolarHBondContact OH-O 2.87Å; Y36-F189 AromaticContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CZ 4.42Å; Y36-F189 HydrophobicContact CE2-CD2 4.4Å; Y36-F189 AromaticContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CZ 4.12Å |
| 37 | F | 94.6 | Very high | 78.6 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.9 | 176.5 | -63.4 | -49.3 | 0 | 0 | 0 | 110.1 | T35 A44 F45 L70 L72 L85 F87 | T35-F37 HydrophobicContact CG2-CD2 3.99Å; T35-F37 HydrophobicContact CG2-CE1 4.06Å; T35-F37 HydrophobicContact CG2-CE2 3.43Å; T35-F37 VanDerWaalsContact CG2-CE2 3.43Å; T35-F37 HydrophobicContact CG2-CZ 3.5Å; T35-F37 VanDerWaalsContact CG2-CZ 3.5Å; F37-A44 WeakPolarHBondContact O-CA 3.47Å; F37-F45 HydrophobicContact CB-CB 4.35Å; F37-F45 AromaticContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CE1 4.38Å; F37-F45 HydrophobicContact CE2-CD1 4.49Å; F37-F45 PolarHBondContact N-O 3.48Å; F37-F45 PolarHBondContact O-N 2.94Å; F37-L70 HydrophobicContact CZ-CB 4.07Å; F37-L72 HydrophobicContact CB-CD1 4.03Å; F37-L72 HydrophobicContact CB-CD2 4.43Å; F37-L72 HydrophobicContact CD1-CB 3.77Å; F37-L72 HydrophobicContact CD1-CD1 4.27Å; F37-L72 HydrophobicContact CD1-CG 4.45Å; F37-L72 HydrophobicContact CD2-CD1 4.44Å; F37-L72 HydrophobicContact CE1-CB 3.99Å; F37-L72 HydrophobicContact CG-CB 4.39Å; F37-L72 HydrophobicContact CG-CD1 4.02Å; F37-L85 HydrophobicContact CB-CD1 4.47Å; F37-L85 HydrophobicContact CD2-CD1 4.49Å; F37-F87 HydrophobicContact CD2-CB 4.24Å; F37-F87 HydrophobicContact CE2-CB 3.45Å; F37-F87 VanDerWaalsContact CE2-CB 3.45Å; F37-F87 HydrophobicContact CE2-CD1 4.22Å; F37-F87 HydrophobicContact CE2-CD2 4.43Å; F37-F87 AromaticContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CZ-CB 3.82Å |
| 38 | N | 93.4 | Very high | 81.2 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.3 | 171.1 | 179.8 | -1.1 | 0 | 0 | 0 | 108.4 | Y36 G41 G187 | Y36-N38 HydrophobicContact CE1-CB 3.88Å; N38-G41 WeakPolarHBondContact OD1-CA 3.32Å; N38-G41 PolarHBondContact OD1-N 2.88Å; N38-G187 WeakPolarHBondContact ND2-CA 3.09Å |
| 39 | V | 92.2 | Very high | 83.6 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 101.2 | 176.7 | -179 | 0 | 0 | 0 | 0 | 107.6 | G41 C42 L43 L72 S76 L85 | V39-G41 PolarHBondContact O-N 3.48Å; V39-C42 PolarHBondContact O-N 2.71Å; V39-C42 PolarHBondContact O-SG 2.96Å; V39-L43 HydrophobicContact CB-CB 4.09Å; V39-L43 HydrophobicContact CB-CD2 4.28Å; V39-L43 HydrophobicContact CG2-CB 4.48Å; V39-L43 HydrophobicContact CG2-CD2 3.73Å; V39-L43 PolarHBondContact N-O 3.4Å; V39-L43 PolarHBondContact O-N 2.91Å; V39-L72 HydrophobicContact CG2-CD1 3.98Å; V39-L72 HydrophobicContact CG2-CD2 3.96Å; V39-S76 WeakPolarHBondContact CG1-O 3.44Å; V39-L85 HydrophobicContact CG2-CD1 4.02Å |
| 40 | S | 87.4 | Confident | 86.4 | Confident | 117 Ų | 117 | 50 Ų | 50 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 27.3 | 173.9 | -53.7 | 0 | 0 | 0 | 0 | 115.4 | C42 | S40-C42 PolarHBondContact O-N 3.47Š|
| 41 | G | 87 | Confident | 88.7 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -4.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N38 V39 V184 G187 | N38-G41 WeakPolarHBondContact OD1-CA 3.32Å; N38-G41 PolarHBondContact OD1-N 2.88Å; V39-G41 PolarHBondContact O-N 3.48Å; G41-V184 CarbonylContact O-C 3.58Å; G41-V184 WeakPolarHBondContact O-CB 3.46Å; G41-V184 VanDerWaalsContact O-CG1 3.31Å; G41-V184 WeakPolarHBondContact O-CG1 3.42Å; G41-G187 PolarHBondContact O-N 3.39Å |
| 42 | C | 90.5 | Very high | 91 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -21.3 | -171.9 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | V39 S40 C78 V184 | V39-C42 PolarHBondContact O-N 2.71Å; V39-C42 PolarHBondContact O-SG 2.96Å; S40-C42 PolarHBondContact O-N 3.47Å; C42-C78 HydrophobicContact CB-CB 3.74Å; C42-C78 WeakPolarHBondContact CB-SG 3.44Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 1.99Å; C42-C78 PolarHBondContact SG-SG 2.96Å; C42-V184 WeakPolarHBondContact O-CG2 3.38Å |
| 43 | L | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.6 | 171.3 | 174 | 160.1 | 0 | 0 | 0 | 109.2 | V39 F45 L85 F104 Q180 P181 | V39-L43 HydrophobicContact CB-CB 4.09Å; V39-L43 HydrophobicContact CB-CD2 4.28Å; V39-L43 HydrophobicContact CG2-CB 4.48Å; V39-L43 HydrophobicContact CG2-CD2 3.73Å; V39-L43 PolarHBondContact N-O 3.4Å; V39-L43 PolarHBondContact O-N 2.91Å; L43-F45 HydrophobicContact CD2-CB 4.43Å; L43-L85 HydrophobicContact CD1-CB 4.21Å; L43-L85 HydrophobicContact CD2-CB 4.22Å; L43-L85 HydrophobicContact CD2-CD1 3.98Å; L43-L85 HydrophobicContact CD2-CD2 4.33Å; L43-L85 HydrophobicContact CD2-CG 4.41Å; L43-F104 HydrophobicContact CD1-CD2 4.17Å; L43-F104 HydrophobicContact CD1-CE2 4.25Å; L43-Q180 WeakPolarHBondContact CA-O 3.31Å; L43-P181 HydrophobicContact CD1-CB 4.12Å |
| 44 | A | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y36 F37 Q180 V184 F189 | Y36-A44 HydrophobicContact CE2-CB 4.4Å; F37-A44 WeakPolarHBondContact O-CA 3.47Å; A44-Q180 PolarHBondContact N-O 3.23Å; A44-Q180 PolarHBondContact O-N 3.41Å; A44-V184 HydrophobicContact CB-CG1 4.11Å; A44-V184 HydrophobicContact CB-CG2 4.09Å; A44-F189 HydrophobicContact CB-CD1 3.86Å; A44-F189 HydrophobicContact CB-CD2 4.46Å; A44-F189 HydrophobicContact CB-CE1 3.45Å; A44-F189 VanDerWaalsContact CB-CE1 3.45Å; A44-F189 HydrophobicContact CB-CE2 4.12Å; A44-F189 HydrophobicContact CB-CG 4.35Å; A44-F189 HydrophobicContact CB-CZ 3.59Å; A44-F189 WeakPolarHBondContact O-CE1 3.34Å |
| 45 | F | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.4 | 176.9 | 174.3 | -86.1 | 0 | 0 | 0 | 109.8 | Y36 F37 L43 A47 I50 L85 L102 F174 I177 Q178 V179 | Y36-F45 CarbonylContact C-O 3.54Å; Y36-F45 WeakPolarHBondContact CA-O 3.48Å; Y36-F45 WeakPolarHBondContact CD2-O 3.4Å; F37-F45 HydrophobicContact CB-CB 4.35Å; F37-F45 AromaticContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CE1 4.38Å; F37-F45 HydrophobicContact CE2-CD1 4.49Å; F37-F45 PolarHBondContact N-O 3.48Å; F37-F45 PolarHBondContact O-N 2.94Å; L43-F45 HydrophobicContact CD2-CB 4.43Å; F45-A47 HydrophobicContact CE1-CB 3.88Å; F45-A47 HydrophobicContact CZ-CB 4Å; F45-I50 HydrophobicContact CE1-CD1 4.38Å; F45-L85 HydrophobicContact CB-CD2 3.62Å; F45-L85 HydrophobicContact CD1-CD2 4.31Å; F45-L85 HydrophobicContact CD2-CD2 3.48Å; F45-L85 VanDerWaalsContact CD2-CD2 3.48Å; F45-L85 HydrophobicContact CE2-CD2 4.18Å; F45-L85 HydrophobicContact CG-CD2 3.55Å; F45-L102 HydrophobicContact CE2-CD1 4.47Å; F45-F174 HydrophobicContact CZ-CD1 4.36Å; F45-F174 HydrophobicContact CZ-CE1 4.12Å; F45-I177 HydrophobicContact CE2-CD1 3.55Å; F45-I177 HydrophobicContact CE2-CG1 4.11Å; F45-I177 HydrophobicContact CZ-CD1 3.86Å; F45-I177 HydrophobicContact CZ-CG1 4.47Å; F45-Q178 CarbonylContact C-O 3.56Å; F45-V179 HydrophobicContact CD2-CB 4.25Å; F45-V179 HydrophobicContact CD2-CG2 4.21Å |
| 46 | F | 95 | Very high | 93 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 24% | 0.237 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.3 | 177.9 | 170.4 | -89.9 | 0 | 0 | 0 | 109.5 | Y34 T35 Y36 S176 I177 Q178 F189 | Y34-F46 HydrophobicContact CD2-CD2 4Å; Y34-F46 AromaticContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CE2-CE2 4.5Å; Y34-F46 AromaticContact CG-CE2 3.77Å; Y34-F46 HydrophobicContact CG-CE2 3.77Å; T35-F46 CarbonylContact O-C 3.57Å; T35-F46 VanDerWaalsContact O-CA 3.31Å; T35-F46 WeakPolarHBondContact O-CA 3.44Å; Y36-F46 HydrophobicContact CD2-CB 4.34Å; F46-S176 WeakPolarHBondContact CE1-O 3.39Å; F46-I177 CarbonylContact O-C 3.51Å; F46-I177 WeakPolarHBondContact O-CA 3.3Å; F46-Q178 HydrophobicContact CB-CB 4.23Å; F46-Q178 HydrophobicContact CD1-CB 4.22Å; F46-Q178 PolarHBondContact N-O 2.92Å; F46-Q178 PolarHBondContact O-N 2.81Å; F46-F189 HydrophobicContact CB-CE2 3.91Å; F46-F189 HydrophobicContact CB-CZ 3.74Å |
| 47 | A | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 134.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T35 F45 I50 F174 S176 | T35-A47 PolarHBondContact N-O 3.39Å; T35-A47 PolarHBondContact O-N 3.38Å; F45-A47 HydrophobicContact CE1-CB 3.88Å; F45-A47 HydrophobicContact CZ-CB 4Å; A47-I50 HydrophobicContact CB-CD1 4.2Å; A47-I50 HydrophobicContact CB-CG1 3.94Å; A47-F174 HydrophobicContact CB-CD1 4.48Å; A47-S176 WeakPolarHBondContact CA-O 3.19Å |
| 48 | R | 94.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 41.1 Ų | 41.1 | 33% | 0.328 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -38.9 | 175 | -174.1 | 179.6 | -175.4 | 83.2 | 11.9 | 112 | H30 D32 T175 S176 | H30-R48 PolarHBondContact CD2-NH2 3.39Å; H30-R48 PolarHBondContact CE1-NH2 2.91Å; H30-R48 VanDerWaalsContact CG-NH2 3.26Å; H30-R48 PolarHBondContact ND1-NH2 3.21Å; H30-R48 PolarHBondContact NE2-NH2 2.71Å; D32-R48 IonicContact OD1-CZ 3.67Å; D32-R48 IonicContact OD1-NH1 2.89Å; D32-R48 PolarHBondContact OD1-NH1 2.98Å; D32-R48 IonicContact OD1-NH2 2.91Å; D32-R48 PolarHBondContact OD1-NH2 3.14Å; R48-T175 WeakPolarHBondContact CB-O 3.29Å; R48-T175 PolarHBondContact N-O 3.49Å; R48-S176 PolarHBondContact N-O 3.07Å; R48-S176 VanDerWaalsContact N-O 3.08Å |
| 49 | S | 93.5 | Very high | 91.7 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.3 | 170.6 | 69 | 0 | 0 | 0 | 0 | 111.7 | T175 | S49-T175 PolarHBondContact N-O 2.84Å; S49-T175 PolarHBondContact O-N 3.27Å; S49-T175 WeakPolarHBondContact OG-CB 3.4Å; S49-T175 PolarHBondContact OG-OG1 3.05Å |
| 50 | I | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.5 | 176.3 | -53.4 | -178.5 | 0 | 0 | 0 | 106.8 | F45 A47 I65 L70 F87 I172 F174 | F45-I50 HydrophobicContact CE1-CD1 4.38Å; A47-I50 HydrophobicContact CB-CD1 4.2Å; A47-I50 HydrophobicContact CB-CG1 3.94Å; I50-I65 HydrophobicContact CB-CB 4.45Å; I50-I65 WeakPolarHBondContact O-CB 3.31Å; I50-I65 PolarHBondContact O-N 3.36Å; I50-L70 HydrophobicContact CD1-CD1 3.92Å; I50-F87 HydrophobicContact CD1-CE2 4.21Å; I50-F87 HydrophobicContact CD1-CZ 4.33Å; I50-I172 HydrophobicContact CG2-CG2 4.04Å; I50-F174 HydrophobicContact CD1-CD1 4.23Å; I50-F174 HydrophobicContact CD1-CE1 4Å; I50-F174 HydrophobicContact CG1-CD1 3.88Å; I50-F174 HydrophobicContact CG1-CE1 4.08Å; I50-F174 HydrophobicContact CG2-CD1 4.27Å; I50-F174 HydrophobicContact CG2-CE1 4.03Å |
| 51 | S | 94.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.9 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | V63 Q173 | S51-V63 CarbonylContact C-O 3.59Å; S51-V63 WeakPolarHBondContact CA-O 3.43Å; S51-Q173 PolarHBondContact N-O 2.98Å; S51-Q173 PolarHBondContact O-N 3.08Å |
| 52 | V | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.6 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | L54 V63 I65 I95 L98 I120 V170 | V52-L54 HydrophobicContact CB-CD1 4.37Å; V52-L54 HydrophobicContact CG1-CD1 3.97Å; V52-L54 HydrophobicContact CG1-CD2 4.4Å; V52-L54 HydrophobicContact CG1-CG 3.99Å; V52-V63 PolarHBondContact N-O 3.46Å; V52-V63 PolarHBondContact O-N 3.03Å; V52-I65 HydrophobicContact CG2-CD1 4.15Å; V52-I65 HydrophobicContact CG2-CG1 4.13Å; V52-I95 HydrophobicContact CB-CD1 4.04Å; V52-I95 HydrophobicContact CG1-CD1 4.21Å; V52-I95 HydrophobicContact CG2-CD1 4.12Å; V52-L98 HydrophobicContact CG2-CD2 4.14Å; V52-I120 HydrophobicContact CG1-CD1 4.13Å; V52-V170 HydrophobicContact CG1-CG1 3.97Å |
| 53 | K | 94.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 43 Ų | 43 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.4 | 173.3 | 177 | -179.7 | -179.1 | -178.1 | 0 | 108.9 | V55 S61 I62 V170 S171 | K53-V55 HydrophobicContact CG-CG2 4.23Å; K53-S61 WeakPolarHBondContact CA-O 3.3Å; K53-I62 HydrophobicContact CB-CG1 4.34Å; K53-I62 HydrophobicContact CG-CG1 4.16Å; K53-V170 CarbonylContact O-C 3.52Å; K53-V170 WeakPolarHBondContact O-CA 3.36Å; K53-S171 PolarHBondContact N-O 2.9Å; K53-S171 PolarHBondContact O-N 2.86Å |
| 54 | L | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.3 | 178.4 | -51.4 | 102.5 | 0 | 0 | 0 | 108.6 | V52 A60 S61 V63 C129 | V52-L54 HydrophobicContact CB-CD1 4.37Å; V52-L54 HydrophobicContact CG1-CD1 3.97Å; V52-L54 HydrophobicContact CG1-CD2 4.4Å; V52-L54 HydrophobicContact CG1-CG 3.99Å; L54-A60 CarbonylContact O-C 3.56Å; L54-A60 WeakPolarHBondContact O-CA 3.22Å; L54-S61 PolarHBondContact N-O 2.76Å; L54-S61 PolarHBondContact O-N 3.31Å; L54-V63 HydrophobicContact CD1-CB 4.13Å; L54-V63 HydrophobicContact CD1-CG2 3.48Å; L54-V63 VanDerWaalsContact CD1-CG2 3.48Å; L54-C129 HydrophobicContact CD2-CB 3.9Å |
| 55 | V | 91.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.7 | 178.5 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | K53 T59 A60 Y168 S169 | K53-V55 HydrophobicContact CG-CG2 4.23Å; V55-T59 CarbonylContact C-O 3.59Å; V55-T59 WeakPolarHBondContact CA-O 3.24Å; V55-A60 HydrophobicContact CG1-CB 4.48Å; V55-A60 HydrophobicContact CG2-CB 4.15Å; V55-Y168 CarbonylContact O-C 3.52Å; V55-Y168 VanDerWaalsContact O-CA 3.25Å; V55-Y168 WeakPolarHBondContact O-CA 3.46Å; V55-S169 VanDerWaalsContact CB-OG 3.31Å; V55-S169 WeakPolarHBondContact CB-OG 3.12Å; V55-S169 WeakPolarHBondContact CG2-OG 3.16Å; V55-S169 PolarHBondContact N-O 2.87Å; V55-S169 PolarHBondContact O-N 3.37Å |
| 56 | S | 88 | Confident | 92.1 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 98.1 | -179.1 | 169 | 0 | 0 | 0 | 0 | 108.9 | K58 T59 Y168 | S56-K58 PolarHBondContact O-N 2.95Å; S56-T59 PolarHBondContact N-O 3.43Å; S56-T59 PolarHBondContact O-N 3.32Å; S56-T59 PolarHBondContact O-OG1 2.98Å; S56-Y168 WeakPolarHBondContact OG-CD1 3.17Å; S56-Y168 WeakPolarHBondContact OG-CE1 3.48Å |
| 57 | G | 84.7 | Confident | 91.8 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -110.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G167 | G57-G167 PolarHBondContact N-O 3.25Š|
| 58 | K | 84.3 | Confident | 91.5 | Very high | 217 Ų | 217 | 52.9 Ų | 52.9 | 94% | 0.943 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12.4 | 179.3 | -66.2 | -173.8 | -179.6 | -179.9 | 0 | 114.3 | S56 | S56-K58 PolarHBondContact O-N 2.95Š|
| 59 | T | 85.4 | Confident | 91.4 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 44% | 0.436 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 135.8 | 179.6 | 58.4 | 0 | 0 | 0 | 0 | 109.6 | V55 S56 | V55-T59 CarbonylContact C-O 3.59Å; V55-T59 WeakPolarHBondContact CA-O 3.24Å; S56-T59 PolarHBondContact N-O 3.43Å; S56-T59 PolarHBondContact O-N 3.32Å; S56-T59 PolarHBondContact O-OG1 2.98Å |
| 60 | A | 89.7 | Confident | 91.4 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | L54 V55 | L54-A60 CarbonylContact O-C 3.56Å; L54-A60 WeakPolarHBondContact O-CA 3.22Å; V55-A60 HydrophobicContact CG1-CB 4.48Å; V55-A60 HydrophobicContact CG2-CB 4.15Å |
| 61 | S | 90.7 | Very high | 91.3 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.9 | 176.2 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | K53 L54 E94 S128 | K53-S61 WeakPolarHBondContact CA-O 3.3Å; L54-S61 PolarHBondContact N-O 2.76Å; L54-S61 PolarHBondContact O-N 3.31Å; S61-E94 WeakPolarHBondContact CB-OE1 3.46Å; S61-E94 PolarHBondContact OG-OE1 2.92Å; S61-S128 WeakPolarHBondContact CB-OG 3.2Å |
| 62 | I | 93.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 52% | 0.518 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.5 | 172.4 | -61 | 173.8 | 0 | 0 | 0 | 106.2 | K53 P64 | K53-I62 HydrophobicContact CB-CG1 4.34Å; K53-I62 HydrophobicContact CG-CG1 4.16Å; I62-P64 VanDerWaalsContact O-CD 3.26Å; I62-P64 WeakPolarHBondContact O-CD 2.98Å |
| 63 | V | 93.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 102.7 | -178 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | S51 V52 L54 I65 V92 N93 I95 | S51-V63 CarbonylContact C-O 3.59Å; S51-V63 WeakPolarHBondContact CA-O 3.43Å; V52-V63 PolarHBondContact N-O 3.46Å; V52-V63 PolarHBondContact O-N 3.03Å; L54-V63 HydrophobicContact CD1-CB 4.13Å; L54-V63 HydrophobicContact CD1-CG2 3.48Å; L54-V63 VanDerWaalsContact CD1-CG2 3.48Å; V63-I65 HydrophobicContact CG1-CD1 4.15Å; V63-V92 HydrophobicContact CG1-CG1 4.15Å; V63-N93 HydrophobicContact CG1-CB 3.88Å; V63-I95 HydrophobicContact CB-CD1 4.36Å; V63-I95 HydrophobicContact CG1-CD1 4.1Å |
| 64 | P | 94.1 | Very high | 91.1 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.7 | 172.6 | 29.3 | -33.3 | 0 | 0 | 0 | 109.9 | I62 V92 | I62-P64 VanDerWaalsContact O-CD 3.26Å; I62-P64 WeakPolarHBondContact O-CD 2.98Å; P64-V92 WeakPolarHBondContact O-CG1 3.49Å |
| 65 | I | 93.9 | Very high | 91 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.7 | 177.1 | -51.1 | -58.5 | 0 | 0 | 0 | 108.4 | I50 V52 V63 L70 V92 I95 L98 | I50-I65 HydrophobicContact CB-CB 4.45Å; I50-I65 WeakPolarHBondContact O-CB 3.31Å; I50-I65 PolarHBondContact O-N 3.36Å; V52-I65 HydrophobicContact CG2-CD1 4.15Å; V52-I65 HydrophobicContact CG2-CG1 4.13Å; V63-I65 HydrophobicContact CG1-CD1 4.15Å; I65-L70 HydrophobicContact CB-CD1 4.45Å; I65-L70 HydrophobicContact CG2-CD1 3.73Å; I65-L70 HydrophobicContact CG2-CD2 3.98Å; I65-L70 HydrophobicContact CG2-CG 3.66Å; I65-V92 HydrophobicContact CD1-CB 4.28Å; I65-V92 HydrophobicContact CD1-CG1 3.9Å; I65-I95 HydrophobicContact CD1-CD1 4.4Å; I65-L98 HydrophobicContact CD1-CD2 4.07Å; I65-L98 HydrophobicContact CG1-CD2 4.04Å |
| 66 | P | 92.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | trans | -71.3 | 143 | 179.4 | 28.6 | -32 | 0 | 0 | 0 | 110.6 | S68 S69 V92 | P66-S68 PolarHBondContact O-N 2.91Å; P66-S69 WeakPolarHBondContact CD-OG 3.18Å; P66-S69 PolarHBondContact O-N 3.49Å; P66-S69 PolarHBondContact O-OG 3.34Å; P66-V92 HydrophobicContact CG-CG2 4.48Å | ||
| 67 | A | 90.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -60.9 | -30.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N33 Y34 T35 S69 L70 | N33-A67 WeakPolarHBondContact OD1-CB 3.47Å; N33-A67 PolarHBondContact OD1-N 2.72Å; N33-A67 VanDerWaalsContact OD1-N 3.16Å; Y34-A67 WeakPolarHBondContact O-CB 3.27Å; T35-A67 WeakPolarHBondContact OG1-CB 3.5Å; A67-S69 PolarHBondContact O-N 2.88Å; A67-L70 WeakPolarHBondContact O-CB 3.33Å; A67-L70 PolarHBondContact O-N 3.08Å; A67-L70 VanDerWaalsContact O-N 3.11Å |
| 68 | S | 89.5 | Confident | 91.8 | Very high | 115 Ų | 115 | 65 Ų | 65 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -64.2 | -24 | 175.7 | 56 | 0 | 0 | 0 | 0 | 114.3 | P66 | P66-S68 PolarHBondContact O-N 2.91Š|
| 69 | S | 90.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -86.4 | -13.3 | 176 | 71.8 | 0 | 0 | 0 | 0 | 113 | P66 A67 S89 V92 | P66-S69 WeakPolarHBondContact CD-OG 3.18Å; P66-S69 PolarHBondContact O-N 3.49Å; P66-S69 PolarHBondContact O-OG 3.34Å; A67-S69 PolarHBondContact O-N 2.88Å; S69-S89 WeakPolarHBondContact CB-OG 2.98Å; S69-S89 VanDerWaalsContact O-CA 3.29Å; S69-S89 WeakPolarHBondContact O-CA 3.42Å; S69-S89 PolarHBondContact OG-OG 3.16Å; S69-V92 WeakPolarHBondContact OG-CG2 3.37Å |
| 70 | L | 94 | Very high | 92.4 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.6 | -174.1 | -81.1 | 161.8 | 0 | 0 | 0 | 110.1 | T35 F37 I50 I65 A67 F87 T88 | T35-L70 HydrophobicContact CG2-CB 4.3Å; T35-L70 HydrophobicContact CG2-CD1 4.05Å; T35-L70 WeakPolarHBondContact OG1-CD1 3.25Å; F37-L70 HydrophobicContact CZ-CB 4.07Å; I50-L70 HydrophobicContact CD1-CD1 3.92Å; I65-L70 HydrophobicContact CB-CD1 4.45Å; I65-L70 HydrophobicContact CG2-CD1 3.73Å; I65-L70 HydrophobicContact CG2-CD2 3.98Å; I65-L70 HydrophobicContact CG2-CG 3.66Å; A67-L70 WeakPolarHBondContact O-CB 3.33Å; A67-L70 PolarHBondContact O-N 3.08Å; A67-L70 VanDerWaalsContact O-N 3.11Å; L70-F87 HydrophobicContact CD2-CD2 3.58Å; L70-F87 HydrophobicContact CD2-CE2 4.05Å; L70-T88 WeakPolarHBondContact CA-O 3.33Å |
| 71 | S | 94.1 | Very high | 92.6 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.4 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | F87 T88 | S71-F87 WeakPolarHBondContact O-CA 3.01Å; S71-T88 PolarHBondContact N-O 2.92Å; S71-T88 PolarHBondContact O-N 3.05Å; S71-T88 PolarHBondContact OG-O 3.42Å; S71-T88 VanDerWaalsContact OG-O 3.09Å; S71-T88 PolarHBondContact OG-OG1 3.13Å |
| 72 | L | 94.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.2 | 174.4 | -175.2 | 61.7 | 0 | 0 | 0 | 109.1 | F37 V39 S76 L85 | F37-L72 HydrophobicContact CB-CD1 4.03Å; F37-L72 HydrophobicContact CB-CD2 4.43Å; F37-L72 HydrophobicContact CD1-CB 3.77Å; F37-L72 HydrophobicContact CD1-CD1 4.27Å; F37-L72 HydrophobicContact CD1-CG 4.45Å; F37-L72 HydrophobicContact CD2-CD1 4.44Å; F37-L72 HydrophobicContact CE1-CB 3.99Å; F37-L72 HydrophobicContact CG-CB 4.39Å; F37-L72 HydrophobicContact CG-CD1 4.02Å; V39-L72 HydrophobicContact CG2-CD1 3.98Å; V39-L72 HydrophobicContact CG2-CD2 3.96Å; L72-S76 WeakPolarHBondContact CD1-OG 3.44Å; L72-L85 HydrophobicContact CD1-CD1 3.6Å |
| 73 | S | 92.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | trans | -74.7 | 141 | 176.6 | 180 | 0 | 0 | 0 | 0 | 110.5 | L75 S76 V86 | S73-L75 PolarHBondContact O-N 3.38Å; S73-L75 VanDerWaalsContact O-N 3.08Å; S73-L75 PolarHBondContact OG-N 3.24Å; S73-S76 VanDerWaalsContact O-CB 3.31Å; S73-S76 WeakPolarHBondContact O-CB 3.22Å; S73-S76 PolarHBondContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.41Å; S73-V86 WeakPolarHBondContact CB-O 3.44Å; S73-V86 PolarHBondContact N-O 3.21Å | ||
| 74 | P | 91.9 | Very high | 93 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 84% | 0.844 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.5 | 174.6 | 28.6 | -36.8 | 0 | 0 | 0 | 113.4 | S76 | P74-S76 PolarHBondContact O-N 3.41Š|
| 75 | L | 92.4 | Very high | 93.1 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.1 | 172.3 | -61.2 | 178.6 | 0 | 0 | 0 | 112.8 | S73 K77 L84 V86 | S73-L75 PolarHBondContact O-N 3.38Å; S73-L75 VanDerWaalsContact O-N 3.08Å; S73-L75 PolarHBondContact OG-N 3.24Å; L75-K77 PolarHBondContact O-N 2.93Å; L75-L84 WeakPolarHBondContact O-CD2 3.17Å; L75-V86 HydrophobicContact CB-CB 4.44Å; L75-V86 HydrophobicContact CB-CG2 4.29Å |
| 76 | S | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | trans | -66.5 | 124 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | V39 L72 S73 P74 L84 V86 | V39-S76 WeakPolarHBondContact CG1-O 3.44Å; L72-S76 WeakPolarHBondContact CD1-OG 3.44Å; S73-S76 VanDerWaalsContact O-CB 3.31Å; S73-S76 WeakPolarHBondContact O-CB 3.22Å; S73-S76 PolarHBondContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.41Å; P74-S76 PolarHBondContact O-N 3.41Å; S76-L84 CarbonylContact C-O 3.48Å; S76-L84 WeakPolarHBondContact CA-O 3.35Å; S76-V86 PolarHBondContact OG-N 3.24Å; S76-V86 PolarHBondContact OG-O 2.92Å | ||
| 77 | K | 94.7 | Very high | 93.4 | Very high | 139 Ų | 139 | 59 Ų | 59 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 155.4 | -176.6 | 62.9 | -176.4 | 179.5 | -177.7 | 0 | 111 | L75 S83 L84 | L75-K77 PolarHBondContact O-N 2.93Å; K77-S83 CarbonylContact O-C 3.59Å; K77-S83 WeakPolarHBondContact O-CA 3.46Å; K77-L84 HydrophobicContact CG-CB 4.19Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 2.89Å |
| 78 | C | 91.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.7 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 110 | C42 | C42-C78 HydrophobicContact CB-CB 3.74Å; C42-C78 WeakPolarHBondContact CB-SG 3.44Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 1.99Å; C42-C78 PolarHBondContact SG-SG 2.96Å |
| 79 | S | 91.9 | Very high | 94 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | trans | -146.1 | 169.7 | 171 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | L81 K82 F182 | S79-L81 PolarHBondContact O-N 2.92Å; S79-K82 CarbonylContact C-O 3.57Å; S79-K82 WeakPolarHBondContact CA-O 3.23Å; S79-K82 WeakPolarHBondContact CB-O 3.2Å; S79-K82 PolarHBondContact N-O 2.74Å; S79-F182 WeakPolarHBondContact O-CE1 3.46Å | ||
| 80 | D | 89.9 | Confident | 94.1 | Very high | 138 Ų | 138 | 56.5 Ų | 56.5 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -66 | -25.1 | -174 | -58.4 | -49.2 | 0 | 0 | 0 | 113.7 | ||
| 81 | L | 93.3 | Very high | 94 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -112.5 | -29 | -177 | -62.9 | 178.3 | 0 | 0 | 0 | 113.6 | S79 S105 K106 | S79-L81 PolarHBondContact O-N 2.92Å; L81-S105 WeakPolarHBondContact O-CA 3.38Å; L81-K106 PolarHBondContact O-N 3.45Å |
| 82 | K | 95 | Very high | 93.8 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 138.5 | -177.5 | -66.9 | -170.4 | 177.8 | -170.8 | 0 | 110.3 | S79 F104 | S79-K82 CarbonylContact C-O 3.57Å; S79-K82 WeakPolarHBondContact CA-O 3.23Å; S79-K82 WeakPolarHBondContact CB-O 3.2Å; S79-K82 PolarHBondContact N-O 2.74Å; K82-F104 CarbonylContact C-O 3.48Å; K82-F104 VanDerWaalsContact CA-O 3.27Å; K82-F104 WeakPolarHBondContact CA-O 3.35Å |
| 83 | S | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.3 | 169.8 | 55.9 | 0 | 0 | 0 | 0 | 110 | K77 T103 F104 P181 | K77-S83 CarbonylContact O-C 3.59Å; K77-S83 WeakPolarHBondContact O-CA 3.46Å; S83-T103 CarbonylContact O-C 3.57Å; S83-T103 WeakPolarHBondContact O-CA 3.2Å; S83-F104 PolarHBondContact N-O 3.35Å; S83-F104 PolarHBondContact O-N 3.48Å; S83-P181 WeakPolarHBondContact CB-O 3.47Å; S83-P181 WeakPolarHBondContact OG-CB 3.41Å; S83-P181 PolarHBondContact OG-O 2.84Å; S83-P181 VanDerWaalsContact OG-O 3.06Å |
| 84 | L | 96.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.7 | -172.6 | 174.3 | 63.4 | 0 | 0 | 0 | 107.4 | L75 S76 K77 V86 S101 L102 T103 | L75-L84 WeakPolarHBondContact O-CD2 3.17Å; S76-L84 CarbonylContact C-O 3.48Å; S76-L84 WeakPolarHBondContact CA-O 3.35Å; K77-L84 HydrophobicContact CG-CB 4.19Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 2.89Å; L84-V86 HydrophobicContact CD1-CG2 3.82Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 3.84Å; L84-S101 WeakPolarHBondContact CD1-OG 2.94Å; L84-L102 WeakPolarHBondContact CA-O 3.37Å; L84-T103 WeakPolarHBondContact CD1-OG1 3.49Å |
| 85 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.3 | 172 | 174 | 66.5 | 0 | 0 | 0 | 108.2 | F37 V39 L43 F45 L72 F87 S101 L102 F104 | F37-L85 HydrophobicContact CB-CD1 4.47Å; F37-L85 HydrophobicContact CD2-CD1 4.49Å; V39-L85 HydrophobicContact CG2-CD1 4.02Å; L43-L85 HydrophobicContact CD1-CB 4.21Å; L43-L85 HydrophobicContact CD2-CB 4.22Å; L43-L85 HydrophobicContact CD2-CD1 3.98Å; L43-L85 HydrophobicContact CD2-CD2 4.33Å; L43-L85 HydrophobicContact CD2-CG 4.41Å; F45-L85 HydrophobicContact CB-CD2 3.62Å; F45-L85 HydrophobicContact CD1-CD2 4.31Å; F45-L85 HydrophobicContact CD2-CD2 3.48Å; F45-L85 VanDerWaalsContact CD2-CD2 3.48Å; F45-L85 HydrophobicContact CE2-CD2 4.18Å; F45-L85 HydrophobicContact CG-CD2 3.55Å; L72-L85 HydrophobicContact CD1-CD1 3.6Å; L85-F87 HydrophobicContact CD2-CD1 4.36Å; L85-F87 HydrophobicContact CG-CD1 4.25Å; L85-S101 CarbonylContact O-C 3.56Å; L85-S101 WeakPolarHBondContact O-CA 3.44Å; L85-L102 HydrophobicContact CB-CB 4.44Å; L85-L102 HydrophobicContact CD2-CD1 4.4Å; L85-L102 PolarHBondContact N-O 2.93Å; L85-L102 PolarHBondContact O-N 3.07Å; L85-F104 HydrophobicContact CB-CE2 4.14Å |
| 86 | V | 96.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.4 | 176.2 | -177 | 0 | 0 | 0 | 0 | 108.2 | S73 L75 S76 L84 N99 V100 | S73-V86 WeakPolarHBondContact CB-O 3.44Å; S73-V86 PolarHBondContact N-O 3.21Å; L75-V86 HydrophobicContact CB-CB 4.44Å; L75-V86 HydrophobicContact CB-CG2 4.29Å; S76-V86 PolarHBondContact OG-N 3.24Å; S76-V86 PolarHBondContact OG-O 2.92Å; L84-V86 HydrophobicContact CD1-CG2 3.82Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 3.84Å; V86-N99 WeakPolarHBondContact CG1-OD1 3.23Å; V86-V100 WeakPolarHBondContact CA-O 3.43Å |
| 87 | F | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.1 | 175.3 | 61.7 | -94.3 | 0 | 0 | 0 | 110.8 | F37 I50 L70 S71 L85 V100 L102 F174 | F37-F87 HydrophobicContact CD2-CB 4.24Å; F37-F87 HydrophobicContact CE2-CB 3.45Å; F37-F87 VanDerWaalsContact CE2-CB 3.45Å; F37-F87 HydrophobicContact CE2-CD1 4.22Å; F37-F87 HydrophobicContact CE2-CD2 4.43Å; F37-F87 AromaticContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CZ-CB 3.82Å; I50-F87 HydrophobicContact CD1-CE2 4.21Å; I50-F87 HydrophobicContact CD1-CZ 4.33Å; L70-F87 HydrophobicContact CD2-CD2 3.58Å; L70-F87 HydrophobicContact CD2-CE2 4.05Å; S71-F87 WeakPolarHBondContact O-CA 3.01Å; L85-F87 HydrophobicContact CD2-CD1 4.36Å; L85-F87 HydrophobicContact CG-CD1 4.25Å; F87-V100 HydrophobicContact CD1-CB 4.36Å; F87-V100 HydrophobicContact CD2-CB 4.15Å; F87-V100 HydrophobicContact CD2-CG2 4.45Å; F87-V100 HydrophobicContact CE1-CB 3.84Å; F87-V100 HydrophobicContact CE1-CG1 3.81Å; F87-V100 HydrophobicContact CE2-CB 3.62Å; F87-V100 HydrophobicContact CE2-CG1 4.26Å; F87-V100 HydrophobicContact CE2-CG2 3.71Å; F87-V100 HydrophobicContact CZ-CB 3.45Å; F87-V100 VanDerWaalsContact CZ-CB 3.45Å; F87-V100 HydrophobicContact CZ-CG1 3.57Å; F87-V100 HydrophobicContact CZ-CG2 3.86Å; F87-V100 PolarHBondContact N-O 3.16Å; F87-V100 PolarHBondContact O-N 3.45Å; F87-L102 HydrophobicContact CE1-CD1 4.43Å; F87-F174 HydrophobicContact CZ-CE1 4.28Å; F87-F174 HydrophobicContact CZ-CZ 4.48Å |
| 88 | T | 96.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 148.5 | -173.7 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | L70 S71 L98 N99 | L70-T88 WeakPolarHBondContact CA-O 3.33Å; S71-T88 PolarHBondContact N-O 2.92Å; S71-T88 PolarHBondContact O-N 3.05Å; S71-T88 PolarHBondContact OG-O 3.42Å; S71-T88 VanDerWaalsContact OG-O 3.09Å; S71-T88 PolarHBondContact OG-OG1 3.13Å; T88-L98 CarbonylContact C-O 3.54Å; T88-L98 WeakPolarHBondContact CA-O 3.37Å; T88-N99 HydrophobicContact CG2-CB 3.85Å |
| 89 | S | 95 | Very high | 93.7 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.2 | 170.6 | 171 | 0 | 0 | 0 | 0 | 109.3 | S69 V92 L98 | S69-S89 WeakPolarHBondContact CB-OG 2.98Å; S69-S89 VanDerWaalsContact O-CA 3.29Å; S69-S89 WeakPolarHBondContact O-CA 3.42Å; S69-S89 PolarHBondContact OG-OG 3.16Å; S89-V92 VanDerWaalsContact OG-CG2 3.24Å; S89-V92 WeakPolarHBondContact OG-CG2 2.95Å; S89-L98 PolarHBondContact N-O 3.11Å; S89-L98 PolarHBondContact O-N 3.13Å |
| 90 | S | 93.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 45 Ų | 45 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142 | -176.2 | 57.6 | 0 | 0 | 0 | 0 | 111 | S96 | S90-S96 CarbonylContact C-O 3.55Å; S90-S96 WeakPolarHBondContact CA-O 3.33Å |
| 91 | N | 90.8 | Very high | 94.2 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 66% | 0.663 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 59.6 | 173.2 | -58.7 | -61.4 | 0 | 0 | 0 | 113.8 | S96 | N91-S96 PolarHBondContact N-O 3.1Å |
| 92 | V | 90.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 105.7 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | V63 P64 I65 P66 S69 S89 E94 I95 | V63-V92 HydrophobicContact CG1-CG1 4.15Å; P64-V92 WeakPolarHBondContact O-CG1 3.49Å; I65-V92 HydrophobicContact CD1-CB 4.28Å; I65-V92 HydrophobicContact CD1-CG1 3.9Å; P66-V92 HydrophobicContact CG-CG2 4.48Å; S69-V92 WeakPolarHBondContact OG-CG2 3.37Å; S89-V92 VanDerWaalsContact OG-CG2 3.24Å; S89-V92 WeakPolarHBondContact OG-CG2 2.95Å; V92-E94 PolarHBondContact O-N 3.27Å; V92-I95 CarbonylContact C-O 3.56Å; V92-I95 PolarHBondContact N-O 2.91Å; V92-I95 PolarHBondContact O-N 3.46Å |
| 93 | N | 88.6 | Confident | 94.4 | Very high | 103 Ų | 103 | 29.5 Ų | 29.5 | 55% | 0.551 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -108.5 | 175 | -57.3 | -53.2 | 0 | 0 | 0 | 113 | V63 Q123 | V63-N93 HydrophobicContact CG1-CB 3.88Å; N93-Q123 PolarHBondContact O-OE1 2.79Å |
| 94 | E | 87.7 | Confident | 94.4 | Very high | 43 Ų | 43 | 29.5 Ų | 29.5 | 20% | 0.201 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8 | 179.3 | -66.4 | -176.8 | -120.2 | 0 | 0 | 113.1 | S61 V92 Q123 S128 C129 | S61-E94 WeakPolarHBondContact CB-OE1 3.46Å; S61-E94 PolarHBondContact OG-OE1 2.92Å; V92-E94 PolarHBondContact O-N 3.27Å; E94-Q123 PolarHBondContact O-N 2.92Å; E94-S128 VanDerWaalsContact CD-OG 3.29Å; E94-S128 PolarHBondContact OE1-OG 3.41Å; E94-S128 PolarHBondContact OE2-N 2.83Å; E94-S128 PolarHBondContact OE2-OG 3.13Å; E94-C129 HydrophobicContact CB-CB 4.12Å |
| 95 | I | 92.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122 | -172.6 | -59.7 | 170.9 | 0 | 0 | 0 | 109.5 | V52 V63 I65 V92 D97 L98 I120 | V52-I95 HydrophobicContact CB-CD1 4.04Å; V52-I95 HydrophobicContact CG1-CD1 4.21Å; V52-I95 HydrophobicContact CG2-CD1 4.12Å; V63-I95 HydrophobicContact CB-CD1 4.36Å; V63-I95 HydrophobicContact CG1-CD1 4.1Å; I65-I95 HydrophobicContact CD1-CD1 4.4Å; V92-I95 CarbonylContact C-O 3.56Å; V92-I95 PolarHBondContact N-O 2.91Å; V92-I95 PolarHBondContact O-N 3.46Å; I95-D97 WeakPolarHBondContact CG2-O 3.42Å; I95-L98 HydrophobicContact CG2-CB 4.04Å; I95-I120 HydrophobicContact CG1-CG2 4.23Å; I95-I120 HydrophobicContact CG2-CG2 4.07Å |
| 96 | S | 93.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -48.8 | 175.5 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | S90 N91 K121 C122 | S90-S96 CarbonylContact C-O 3.55Å; S90-S96 WeakPolarHBondContact CA-O 3.33Å; N91-S96 PolarHBondContact N-O 3.1Å; S96-K121 PolarHBondContact N-O 3.39Å; S96-K121 VanDerWaalsContact OG-CB 3.27Å; S96-K121 WeakPolarHBondContact OG-CB 3.4Å; S96-K121 PolarHBondContact OG-O 3.4Å; S96-C122 PolarHBondContact OG-O 3.15Å |
| 97 | D | 95.2 | Very high | 94.2 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.2 | 175.3 | -64.8 | -40.6 | 0 | 0 | 0 | 110.2 | I95 I120 K121 | I95-D97 WeakPolarHBondContact CG2-O 3.42Å; D97-I120 CarbonylContact O-C 3.55Å; D97-I120 WeakPolarHBondContact O-CA 3.35Å; D97-K121 HydrophobicContact CB-CB 4.08Å; D97-K121 HydrophobicContact CB-CD 4.26Å; D97-K121 HydrophobicContact CB-CG 4.24Å; D97-K121 PolarHBondContact N-O 3.19Å; D97-K121 PolarHBondContact O-N 3.1Å; D97-K121 WeakPolarHBondContact OD2-CD 3.48Å; D97-K121 IonicContact OD2-NZ 3.18Å; D97-K121 PolarHBondContact OD2-NZ 2.78Å |
| 98 | L | 96 | Very high | 94 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.3 | 169.7 | 174.5 | 65.8 | 0 | 0 | 0 | 108.6 | V52 I65 T88 S89 I95 V100 V118 I120 | V52-L98 HydrophobicContact CG2-CD2 4.14Å; I65-L98 HydrophobicContact CD1-CD2 4.07Å; I65-L98 HydrophobicContact CG1-CD2 4.04Å; T88-L98 CarbonylContact C-O 3.54Å; T88-L98 WeakPolarHBondContact CA-O 3.37Å; S89-L98 PolarHBondContact N-O 3.11Å; S89-L98 PolarHBondContact O-N 3.13Å; I95-L98 HydrophobicContact CG2-CB 4.04Å; L98-V100 HydrophobicContact CD1-CG2 3.98Å; L98-V100 HydrophobicContact CG-CG2 4.18Å; L98-V118 HydrophobicContact CD1-CG2 3.77Å; L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD1-CG1 3.56Å |
| 99 | N | 96.5 | Very high | 93.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.3 | 170.9 | -172.5 | -23.8 | 0 | 0 | 0 | 108.8 | V86 T88 V118 S119 | V86-N99 WeakPolarHBondContact CG1-OD1 3.23Å; T88-N99 HydrophobicContact CG2-CB 3.85Å; N99-V118 CarbonylContact O-C 3.59Å; N99-V118 VanDerWaalsContact O-CA 3.28Å; N99-V118 WeakPolarHBondContact O-CA 3.49Å; N99-V118 WeakPolarHBondContact O-CG2 3.44Å; N99-S119 VanDerWaalsContact CB-OG 3.31Å; N99-S119 WeakPolarHBondContact CB-OG 3.33Å; N99-S119 PolarHBondContact N-O 3.33Å; N99-S119 PolarHBondContact O-N 3.39Å |
| 100 | V | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.8 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | V86 F87 L98 L102 V118 L137 I172 | V86-V100 WeakPolarHBondContact CA-O 3.43Å; F87-V100 HydrophobicContact CD1-CB 4.36Å; F87-V100 HydrophobicContact CD2-CB 4.15Å; F87-V100 HydrophobicContact CD2-CG2 4.45Å; F87-V100 HydrophobicContact CE1-CB 3.84Å; F87-V100 HydrophobicContact CE1-CG1 3.81Å; F87-V100 HydrophobicContact CE2-CB 3.62Å; F87-V100 HydrophobicContact CE2-CG1 4.26Å; F87-V100 HydrophobicContact CE2-CG2 3.71Å; F87-V100 HydrophobicContact CZ-CB 3.45Å; F87-V100 VanDerWaalsContact CZ-CB 3.45Å; F87-V100 HydrophobicContact CZ-CG1 3.57Å; F87-V100 HydrophobicContact CZ-CG2 3.86Å; F87-V100 PolarHBondContact N-O 3.16Å; F87-V100 PolarHBondContact O-N 3.45Å; L98-V100 HydrophobicContact CD1-CG2 3.98Å; L98-V100 HydrophobicContact CG-CG2 4.18Å; V100-L102 HydrophobicContact CG1-CD2 4.22Å; V100-L102 HydrophobicContact CG1-CG 4.3Å; V100-V118 HydrophobicContact CG2-CG2 4.06Å; V100-L137 HydrophobicContact CG1-CD1 4.05Å; V100-I172 HydrophobicContact CG1-CD1 4.32Å; V100-I172 HydrophobicContact CG2-CD1 3.72Å |
| 101 | S | 96.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.2 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | L84 L85 S116 S117 | L84-S101 WeakPolarHBondContact CD1-OG 2.94Å; L85-S101 CarbonylContact O-C 3.56Å; L85-S101 WeakPolarHBondContact O-CA 3.44Å; S101-S116 CarbonylContact O-C 3.54Å; S101-S116 WeakPolarHBondContact O-CA 3.45Å; S101-S117 PolarHBondContact N-O 2.9Å; S101-S117 PolarHBondContact O-N 2.89Å |
| 102 | L | 96.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.6 | 177.1 | -56.9 | -178.7 | 0 | 0 | 0 | 108.7 | F45 L84 L85 F87 V100 F104 I139 | F45-L102 HydrophobicContact CE2-CD1 4.47Å; L84-L102 WeakPolarHBondContact CA-O 3.37Å; L85-L102 HydrophobicContact CB-CB 4.44Å; L85-L102 HydrophobicContact CD2-CD1 4.4Å; L85-L102 PolarHBondContact N-O 2.93Å; L85-L102 PolarHBondContact O-N 3.07Å; F87-L102 HydrophobicContact CE1-CD1 4.43Å; V100-L102 HydrophobicContact CG1-CD2 4.22Å; V100-L102 HydrophobicContact CG1-CG 4.3Å; L102-F104 HydrophobicContact CB-CE2 3.78Å; L102-F104 HydrophobicContact CB-CZ 3.81Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å; L102-I139 HydrophobicContact CD2-CD1 3.3Å |
| 103 | T | 96.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.4 | 174.2 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | S83 L84 V113 S114 E115 | S83-T103 CarbonylContact O-C 3.57Å; S83-T103 WeakPolarHBondContact O-CA 3.2Å; L84-T103 WeakPolarHBondContact CD1-OG1 3.49Å; T103-V113 CarbonylContact O-C 3.33Å; T103-V113 WeakPolarHBondContact O-CA 3.34Å; T103-S114 PolarHBondContact O-N 3.07Å; T103-S114 PolarHBondContact O-OG 3.07Å; T103-E115 WeakPolarHBondContact CA-O 3.32Å; T103-E115 WeakPolarHBondContact CB-O 3.5Å; T103-E115 PolarHBondContact N-O 3.27Å; T103-E115 PolarHBondContact O-N 3.29Å |
| 104 | F | 96.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.5 | 174.2 | -51.4 | -89.5 | 0 | 0 | 0 | 108.7 | L43 K82 S83 L85 L102 W111 S112 V113 V179 P181 F182 | L43-F104 HydrophobicContact CD1-CD2 4.17Å; L43-F104 HydrophobicContact CD1-CE2 4.25Å; K82-F104 CarbonylContact C-O 3.48Å; K82-F104 VanDerWaalsContact CA-O 3.27Å; K82-F104 WeakPolarHBondContact CA-O 3.35Å; S83-F104 PolarHBondContact N-O 3.35Å; S83-F104 PolarHBondContact O-N 3.48Å; L85-F104 HydrophobicContact CB-CE2 4.14Å; L102-F104 HydrophobicContact CB-CE2 3.78Å; L102-F104 HydrophobicContact CB-CZ 3.81Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å; F104-W111 AromaticContact CD1-CE3 3.99Å; F104-W111 HydrophobicContact CD1-CE3 3.99Å; F104-W111 AromaticContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CE1-CZ3 4.18Å; F104-S112 CarbonylContact C-O 3.48Å; F104-S112 WeakPolarHBondContact CA-O 3.43Å; F104-V113 HydrophobicContact CD1-CG2 3.52Å; F104-V113 HydrophobicContact CE1-CG2 3.31Å; F104-V113 HydrophobicContact CZ-CG2 4.21Å; F104-V179 HydrophobicContact CE1-CG2 3.96Å; F104-V179 HydrophobicContact CE2-CG2 4.3Å; F104-V179 HydrophobicContact CZ-CG2 3.67Å; F104-P181 HydrophobicContact CB-CB 3.59Å; F104-P181 HydrophobicContact CB-CG 3.88Å; F104-P181 HydrophobicContact CD1-CB 4.09Å; F104-P181 HydrophobicContact CD1-CG 3.88Å; F104-P181 HydrophobicContact CD2-CB 3.72Å; F104-P181 HydrophobicContact CD2-CG 4.41Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CG-CB 3.52Å; F104-P181 HydrophobicContact CG-CG 3.79Å; F104-F182 HydrophobicContact CB-CE2 4.03Å; F104-F182 HydrophobicContact CB-CZ 4.35Å |
| 105 | S | 95.8 | Very high | 95 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.3 | 176.7 | 75 | 0 | 0 | 0 | 0 | 110.3 | L81 W111 S112 S114 | L81-S105 WeakPolarHBondContact O-CA 3.38Å; S105-W111 WeakPolarHBondContact O-CA 3.49Å; S105-W111 WeakPolarHBondContact O-CB 3.1Å; S105-S112 PolarHBondContact N-O 2.99Å; S105-S112 PolarHBondContact O-N 3.29Å; S105-S114 WeakPolarHBondContact OG-CB 3.38Å |
| 106 | K | 94.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.7 | 173.5 | 177.1 | 172.2 | 171.4 | -178.4 | 0 | 109.8 | L81 V146 F182 | L81-K106 PolarHBondContact O-N 3.45Å; K106-V146 HydrophobicContact CD-CG1 3.7Å; K106-V146 HydrophobicContact CG-CG1 3.65Å; K106-F182 HydrophobicContact CB-CE2 4.5Å; K106-F182 HydrophobicContact CB-CZ 4.37Å |
| 107 | S | 92.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 102 | 172.4 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | R109 Y110 | S107-R109 PolarHBondContact O-N 3.35Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-Y110 CarbonylContact C-O 3.51Å; S107-Y110 PolarHBondContact N-O 2.83Å; S107-Y110 PolarHBondContact O-N 2.79Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; S107-Y110 VanDerWaalsContact O-O 3.07Å |
| 108 | G | 92.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 46 Ų | 46 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -115.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 109 | R | 93.2 | Very high | 95.4 | Very high | 191 Ų | 191 | 47.9 Ų | 47.9 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.4 | -179.6 | -64.7 | -162.4 | -61.4 | -92.1 | 0.9 | 114.2 | S107 P145 V146 | S107-R109 PolarHBondContact O-N 3.35Å; S107-R109 VanDerWaalsContact O-N 3.16Å; R109-P145 CarbonylContact O-C 3.57Å; R109-P145 VanDerWaalsContact O-CA 3.3Å; R109-P145 WeakPolarHBondContact O-CA 3.31Å; R109-V146 WeakPolarHBondContact O-CG1 3.33Å; R109-V146 PolarHBondContact O-N 3.42Å |
| 110 | Y | 94.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 45.6 Ų | 45.6 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 156.7 | -177.9 | -66.4 | -96.9 | 0 | 0 | 0 | 110.2 | S107 A144 P145 | S107-Y110 CarbonylContact C-O 3.51Å; S107-Y110 PolarHBondContact N-O 2.83Å; S107-Y110 PolarHBondContact O-N 2.79Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; S107-Y110 VanDerWaalsContact O-O 3.07Å; Y110-A144 CarbonylContact C-O 3.56Å; Y110-A144 WeakPolarHBondContact CA-O 3.46Å; Y110-P145 HydrophobicContact CD1-CG 4.16Å; Y110-P145 HydrophobicContact CE1-CG 3.79Å |
| 111 | W | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.2 | 164.6 | 61.1 | -91 | 0 | 0 | 0 | 109.4 | F104 S105 A142 E143 A144 P145 L148 V179 P181 F182 | F104-W111 AromaticContact CD1-CE3 3.99Å; F104-W111 HydrophobicContact CD1-CE3 3.99Å; F104-W111 AromaticContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CE1-CZ3 4.18Å; S105-W111 WeakPolarHBondContact O-CA 3.49Å; S105-W111 WeakPolarHBondContact O-CB 3.1Å; W111-A142 HydrophobicContact CZ3-CB 4.41Å; W111-E143 WeakPolarHBondContact O-CA 3.34Å; W111-A144 HydrophobicContact CH2-CB 4.34Å; W111-A144 HydrophobicContact CZ2-CB 3.53Å; W111-A144 PolarHBondContact N-O 2.82Å; W111-A144 PolarHBondContact NE1-O 2.89Å; W111-A144 PolarHBondContact O-N 3.43Å; W111-A144 VanDerWaalsContact O-N 3.13Å; W111-P145 PolarHBondContact NE1-O 3.41Å; W111-P145 VanDerWaalsContact NE1-O 3.15Å; W111-L148 PolarHBondContact NE1-O 2.73Å; W111-V179 HydrophobicContact CH2-CG1 3.91Å; W111-V179 HydrophobicContact CZ3-CG1 4.47Å; W111-P181 HydrophobicContact CD2-CG 3.39Å; W111-P181 HydrophobicContact CE3-CG 3.34Å; W111-P181 HydrophobicContact CG-CG 4.05Å; W111-P181 HydrophobicContact CH2-CG 3.88Å; W111-P181 VanDerWaalsContact CZ2-CD 3.43Å; W111-P181 HydrophobicContact CZ2-CG 3.9Å; W111-P181 HydrophobicContact CZ3-CG 3.61Å; W111-F182 HydrophobicContact CB-CD2 3.73Å; W111-F182 HydrophobicContact CB-CE2 3.6Å; W111-F182 AromaticContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CE2 4.1Å |
| 112 | S | 95.7 | Very high | 95.2 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 164.4 | 175.8 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | F104 S105 S114 A142 | F104-S112 CarbonylContact C-O 3.48Å; F104-S112 WeakPolarHBondContact CA-O 3.43Å; S105-S112 PolarHBondContact N-O 2.99Å; S105-S112 PolarHBondContact O-N 3.29Å; S112-S114 PolarHBondContact O-N 3.41Å; S112-A142 VanDerWaalsContact CA-O 3.32Å; S112-A142 WeakPolarHBondContact CA-O 3.27Å |
| 113 | V | 96.1 | Very high | 95 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 114.8 | 168.1 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | T103 F104 I139 A142 | T103-V113 CarbonylContact O-C 3.33Å; T103-V113 WeakPolarHBondContact O-CA 3.34Å; F104-V113 HydrophobicContact CD1-CG2 3.52Å; F104-V113 HydrophobicContact CE1-CG2 3.31Å; F104-V113 HydrophobicContact CZ-CG2 4.21Å; V113-I139 HydrophobicContact CB-CG2 4.43Å; V113-I139 HydrophobicContact CG1-CB 4.32Å; V113-I139 HydrophobicContact CG2-CG2 4.2Å; V113-A142 HydrophobicContact CB-CB 4.41Å; V113-A142 HydrophobicContact CG2-CB 3.47Å; V113-A142 VanDerWaalsContact CG2-CB 3.47Å; V113-A142 PolarHBondContact N-O 3.44Å |
| 114 | S | 93.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 60.4 Ų | 60.4 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -44.5 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | T103 S105 S112 | T103-S114 PolarHBondContact O-N 3.07Å; T103-S114 PolarHBondContact O-OG 3.07Å; S105-S114 WeakPolarHBondContact OG-CB 3.38Å; S112-S114 PolarHBondContact O-N 3.41Å |
| 115 | E | 95.1 | Very high | 93.9 | Very high | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135 | -176.8 | -65.5 | 172.7 | -142.3 | 0 | 0 | 108.1 | T103 | T103-E115 WeakPolarHBondContact CA-O 3.32Å; T103-E115 WeakPolarHBondContact CB-O 3.5Å; T103-E115 PolarHBondContact N-O 3.27Å; T103-E115 PolarHBondContact O-N 3.29Å |
| 116 | S | 96.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 8% | 0.077 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134.8 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 109.5 | S101 P136 L137 | S101-S116 CarbonylContact O-C 3.54Å; S101-S116 WeakPolarHBondContact O-CA 3.45Å; S116-P136 CarbonylContact O-C 3.58Å; S116-P136 WeakPolarHBondContact O-CA 3.39Å; S116-L137 PolarHBondContact O-N 2.99Å; S116-L137 WeakPolarHBondContact OG-CB 3.42Å; S116-L137 PolarHBondContact OG-O 3.4Å |
| 117 | S | 95.8 | Very high | 92.9 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.7 | -180 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | S101 N135 | S101-S117 PolarHBondContact N-O 2.9Å; S101-S117 PolarHBondContact O-N 2.89Å; S117-N135 CarbonylContact C-O 3.56Å; S117-N135 VanDerWaalsContact CA-O 3.26Å; S117-N135 WeakPolarHBondContact CA-O 2.96Å |
| 118 | V | 96.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.5 | 175.6 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | L98 N99 V100 I120 V132 G134 N135 L137 V160 I172 | L98-V118 HydrophobicContact CD1-CG2 3.77Å; N99-V118 CarbonylContact O-C 3.59Å; N99-V118 VanDerWaalsContact O-CA 3.28Å; N99-V118 WeakPolarHBondContact O-CA 3.49Å; N99-V118 WeakPolarHBondContact O-CG2 3.44Å; V100-V118 HydrophobicContact CG2-CG2 4.06Å; V118-I120 HydrophobicContact CG2-CD1 4.03Å; V118-I120 HydrophobicContact CG2-CG1 3.9Å; V118-V132 HydrophobicContact CG1-CG1 4.3Å; V118-V132 WeakPolarHBondContact O-CG1 3.17Å; V118-G134 CarbonylContact O-C 3.55Å; V118-G134 WeakPolarHBondContact O-CA 3.37Å; V118-G134 PolarHBondContact O-N 2.64Å; V118-N135 PolarHBondContact N-O 2.87Å; V118-N135 PolarHBondContact O-N 2.84Å; V118-N135 VanDerWaalsContact O-N 3.07Å; V118-L137 HydrophobicContact CB-CD1 4.02Å; V118-L137 HydrophobicContact CB-CD2 4.34Å; V118-L137 HydrophobicContact CB-CG 4.11Å; V118-L137 HydrophobicContact CG1-CD1 4.32Å; V118-L137 HydrophobicContact CG1-CD2 3.79Å; V118-L137 HydrophobicContact CG1-CG 3.85Å; V118-V160 HydrophobicContact CG1-CB 4.43Å; V118-V160 HydrophobicContact CG1-CG1 4.1Å; V118-V160 HydrophobicContact CG1-CG2 3.49Å; V118-V160 VanDerWaalsContact CG1-CG2 3.49Å; V118-I172 HydrophobicContact CB-CD1 4.27Å; V118-I172 HydrophobicContact CG2-CD1 4.02Å |
| 119 | S | 95.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.4 | 165.2 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | N99 V132 | N99-S119 VanDerWaalsContact CB-OG 3.31Å; N99-S119 WeakPolarHBondContact CB-OG 3.33Å; N99-S119 PolarHBondContact N-O 3.33Å; N99-S119 PolarHBondContact O-N 3.39Å; S119-V132 CarbonylContact C-O 3.59Å; S119-V132 WeakPolarHBondContact CA-O 3.31Å |
| 120 | I | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.3 | 178.3 | -68 | 160.7 | 0 | 0 | 0 | 107.5 | V52 I95 D97 L98 V118 N131 V132 V170 | V52-I120 HydrophobicContact CG1-CD1 4.13Å; I95-I120 HydrophobicContact CG1-CG2 4.23Å; I95-I120 HydrophobicContact CG2-CG2 4.07Å; D97-I120 CarbonylContact O-C 3.55Å; D97-I120 WeakPolarHBondContact O-CA 3.35Å; L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD1-CG1 3.56Å; V118-I120 HydrophobicContact CG2-CD1 4.03Å; V118-I120 HydrophobicContact CG2-CG1 3.9Å; I120-N131 CarbonylContact O-C 3.55Å; I120-N131 WeakPolarHBondContact O-CA 3.38Å; I120-V132 HydrophobicContact CB-CB 4.09Å; I120-V132 HydrophobicContact CB-CG2 4.18Å; I120-V132 HydrophobicContact CD1-CG2 4.2Å; I120-V132 PolarHBondContact N-O 2.91Å; I120-V132 PolarHBondContact O-N 2.99Å; I120-V170 HydrophobicContact CD1-CG1 3.76Å |
| 121 | K | 95.5 | Very high | 92.2 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.4 | 162.3 | -60.4 | -173.1 | -158.7 | 148.3 | 0 | 108.7 | S96 D97 N131 | S96-K121 PolarHBondContact N-O 3.39Å; S96-K121 VanDerWaalsContact OG-CB 3.27Å; S96-K121 WeakPolarHBondContact OG-CB 3.4Å; S96-K121 PolarHBondContact OG-O 3.4Å; D97-K121 HydrophobicContact CB-CB 4.08Å; D97-K121 HydrophobicContact CB-CD 4.26Å; D97-K121 HydrophobicContact CB-CG 4.24Å; D97-K121 PolarHBondContact N-O 3.19Å; D97-K121 PolarHBondContact O-N 3.1Å; D97-K121 WeakPolarHBondContact OD2-CD 3.48Å; D97-K121 IonicContact OD2-NZ 3.18Å; D97-K121 PolarHBondContact OD2-NZ 2.78Å; K121-N131 WeakPolarHBondContact CA-OD1 3.26Å |
| 122 | C | 94.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 155.4 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S96 C129 V130 N131 | S96-C122 PolarHBondContact OG-O 3.15Å; C122-C129 VanDerWaalsContact CA-SG 3.55Å; C122-C129 HydrophobicContact CB-CB 3.69Å; C122-C129 WeakPolarHBondContact CB-SG 3.5Å; C122-C129 WeakPolarHBondContact SG-CB 3.28Å; C122-C129 CovalentContact SG-SG 2.03Å; C122-C129 PolarHBondContact SG-SG 2.87Å; C122-V130 PolarHBondContact SG-N 3.06Å; C122-V130 PolarHBondContact SG-O 1.99Å; C122-V130 VanDerWaalsContact SG-O 3.41Å; C122-N131 PolarHBondContact N-OD1 3.32Å |
| 123 | Q | 92.2 | Very high | 91.9 | Very high | 95 Ų | 95 | 59 Ų | 59 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 146.5 | 171.6 | -172.9 | 167.2 | -34.4 | 0 | 0 | 110.7 | N93 E94 G125 S126 | N93-Q123 PolarHBondContact O-OE1 2.79Å; E94-Q123 PolarHBondContact O-N 2.92Å; Q123-G125 PolarHBondContact O-N 2.91Å; Q123-S126 WeakPolarHBondContact O-CB 3.36Å; Q123-S126 PolarHBondContact O-N 3.14Å; Q123-S126 VanDerWaalsContact O-N 3.15Å; Q123-S126 PolarHBondContact O-OG 3.23Å |
| 124 | S | 86.4 | Confident | 91.7 | Very high | 124 Ų | 124 | 59.7 Ų | 59.7 | 87% | 0.867 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 122.1 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 125 | G | 84.6 | Confident | 91.8 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 78% | 0.784 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | 1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q123 K127 | Q123-G125 PolarHBondContact O-N 2.91Å; G125-K127 PolarHBondContact O-N 2.89Å |
| 126 | S | 84.6 | Confident | 91.8 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | trans | -61.3 | 133.2 | 172.9 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | Q123 | Q123-S126 WeakPolarHBondContact O-CB 3.36Å; Q123-S126 PolarHBondContact O-N 3.14Å; Q123-S126 VanDerWaalsContact O-N 3.15Å; Q123-S126 PolarHBondContact O-OG 3.23Å | ||
| 127 | K | 84.2 | Confident | 91.7 | Very high | 190 Ų | 190 | 55.6 Ų | 55.6 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -91.4 | -27.8 | -178.5 | -65.4 | -179.3 | -178.3 | 176.2 | 0 | 113.5 | G125 | G125-K127 PolarHBondContact O-N 2.89Š|
| 128 | S | 86.6 | Confident | 91.7 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -112.2 | -19.7 | -174 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | S61 E94 | S61-S128 WeakPolarHBondContact CB-OG 3.2Å; E94-S128 VanDerWaalsContact CD-OG 3.29Å; E94-S128 PolarHBondContact OE1-OG 3.41Å; E94-S128 PolarHBondContact OE2-N 2.83Å; E94-S128 PolarHBondContact OE2-OG 3.13Å |
| 129 | C | 89.8 | Confident | 91.6 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | trans | -76.2 | 137.8 | -177.8 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | L54 E94 C122 | L54-C129 HydrophobicContact CD2-CB 3.9Å; E94-C129 HydrophobicContact CB-CB 4.12Å; C122-C129 VanDerWaalsContact CA-SG 3.55Å; C122-C129 HydrophobicContact CB-CB 3.69Å; C122-C129 WeakPolarHBondContact CB-SG 3.5Å; C122-C129 WeakPolarHBondContact SG-CB 3.28Å; C122-C129 CovalentContact SG-SG 2.03Å; C122-C129 PolarHBondContact SG-SG 2.87Å | ||
| 130 | V | 90.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | trans | -122.4 | 137.3 | 174.3 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | C122 V132 F162 Y168 V170 | C122-V130 PolarHBondContact SG-N 3.06Å; C122-V130 PolarHBondContact SG-O 1.99Å; C122-V130 VanDerWaalsContact SG-O 3.41Å; V130-V132 HydrophobicContact CG1-CG2 4.41Å; V130-V132 PolarHBondContact O-N 3.06Å; V130-F162 HydrophobicContact CG1-CZ 4.49Å; V130-Y168 HydrophobicContact CB-CG 4.48Å; V130-Y168 HydrophobicContact CG2-CD2 4.44Å; V130-Y168 HydrophobicContact CG2-CG 4.46Å; V130-V170 HydrophobicContact CG1-CG2 3.57Å | ||
| 131 | N | 92.4 | Very high | 90.8 | Very high | 106 Ų | 106 | 64.4 Ų | 64.4 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | trans | -67.4 | 128.3 | 176.1 | -68.3 | -45.7 | 0 | 0 | 0 | 109.7 | I120 K121 C122 | I120-N131 CarbonylContact O-C 3.55Å; I120-N131 WeakPolarHBondContact O-CA 3.38Å; K121-N131 WeakPolarHBondContact CA-OD1 3.26Å; C122-N131 PolarHBondContact N-OD1 3.32Å | ||
| 132 | V | 92.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 110 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | V118 S119 I120 V130 G134 N135 V160 F162 V170 | V118-V132 HydrophobicContact CG1-CG1 4.3Å; V118-V132 WeakPolarHBondContact O-CG1 3.17Å; S119-V132 CarbonylContact C-O 3.59Å; S119-V132 WeakPolarHBondContact CA-O 3.31Å; I120-V132 HydrophobicContact CB-CB 4.09Å; I120-V132 HydrophobicContact CB-CG2 4.18Å; I120-V132 HydrophobicContact CD1-CG2 4.2Å; I120-V132 PolarHBondContact N-O 2.91Å; I120-V132 PolarHBondContact O-N 2.99Å; V130-V132 HydrophobicContact CG1-CG2 4.41Å; V130-V132 PolarHBondContact O-N 3.06Å; V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 2.8Å; V132-G134 VanDerWaalsContact O-N 3.12Å; V132-N135 HydrophobicContact CG1-CB 3.62Å; V132-N135 WeakPolarHBondContact CG1-OD1 3.43Å; V132-V160 HydrophobicContact CG1-CG1 3.93Å; V132-F162 HydrophobicContact CG1-CE1 4.44Å; V132-F162 HydrophobicContact CG2-CE1 4.04Å; V132-F162 HydrophobicContact CG2-CZ 3.8Å; V132-V170 HydrophobicContact CG2-CG2 4.36Å |
| 133 | P | 91.4 | Very high | 90.5 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 62.3 | -177.4 | 35.7 | -37.7 | 0 | 0 | 0 | 112.6 | N135 | P133-N135 VanDerWaalsContact CD-OD1 3.31Å; P133-N135 WeakPolarHBondContact CD-OD1 3.34Å |
| 134 | G | 92.5 | Very high | 90.6 | Very high | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.4 | 31.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V118 V132 | V118-G134 CarbonylContact O-C 3.55Å; V118-G134 WeakPolarHBondContact O-CA 3.37Å; V118-G134 PolarHBondContact O-N 2.64Å; V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 2.8Å; V132-G134 VanDerWaalsContact O-N 3.12Å |
| 135 | N | 94.7 | Very high | 90.9 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 152.6 | -179.2 | -72.1 | 62.4 | 0 | 0 | 0 | 112.5 | S117 V118 V132 P133 V160 I161 | S117-N135 CarbonylContact C-O 3.56Å; S117-N135 VanDerWaalsContact CA-O 3.26Å; S117-N135 WeakPolarHBondContact CA-O 2.96Å; V118-N135 PolarHBondContact N-O 2.87Å; V118-N135 PolarHBondContact O-N 2.84Å; V118-N135 VanDerWaalsContact O-N 3.07Å; V132-N135 HydrophobicContact CG1-CB 3.62Å; V132-N135 WeakPolarHBondContact CG1-OD1 3.43Å; P133-N135 VanDerWaalsContact CD-OD1 3.31Å; P133-N135 WeakPolarHBondContact CD-OD1 3.34Å; N135-V160 HydrophobicContact CB-CG1 3.49Å; N135-V160 VanDerWaalsContact CB-CG1 3.49Å; N135-I161 PolarHBondContact ND2-O 3.26Å; N135-I161 VanDerWaalsContact ND2-O 3.08Å |
| 136 | P | 95.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.9 | 178.2 | 24.2 | -26.6 | 0 | 0 | 0 | 112.4 | S116 I161 | S116-P136 CarbonylContact O-C 3.58Å; S116-P136 WeakPolarHBondContact O-CA 3.39Å; P136-I161 HydrophobicContact CB-CD1 4.42Å; P136-I161 HydrophobicContact CG-CB 4.16Å; P136-I161 HydrophobicContact CG-CD1 4.33Å; P136-I161 PolarHBondContact O-N 2.04Å |
| 137 | L | 95.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -93.9 | 141.3 | 170.9 | -72.8 | 166.5 | 0 | 0 | 0 | 110 | V100 S116 V118 I139 V160 I172 | V100-L137 HydrophobicContact CG1-CD1 4.05Å; S116-L137 PolarHBondContact O-N 2.99Å; S116-L137 WeakPolarHBondContact OG-CB 3.42Å; S116-L137 PolarHBondContact OG-O 3.4Å; V118-L137 HydrophobicContact CB-CD1 4.02Å; V118-L137 HydrophobicContact CB-CD2 4.34Å; V118-L137 HydrophobicContact CB-CG 4.11Å; V118-L137 HydrophobicContact CG1-CD1 4.32Å; V118-L137 HydrophobicContact CG1-CD2 3.79Å; V118-L137 HydrophobicContact CG1-CG 3.85Å; L137-I139 HydrophobicContact CB-CD1 4.47Å; L137-I139 HydrophobicContact CB-CG1 4.33Å; L137-I139 PolarHBondContact O-N 2.86Å; L137-V160 HydrophobicContact CD2-CG2 3.65Å; L137-I172 HydrophobicContact CD1-CD1 3.78Å; L137-I172 HydrophobicContact CD2-CD1 3.91Å; L137-I172 HydrophobicContact CD2-CG1 4.1Å; L137-I172 HydrophobicContact CG-CD1 4.49Å |
| 138 | A | 94 | Very high | 91.8 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | trans | -93.7 | 91.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P159 I161 | A138-P159 HydrophobicContact CB-CG 4Å; A138-P159 PolarHBondContact N-O 2.82Å; A138-I161 HydrophobicContact CB-CD1 4.2Å; A138-I161 HydrophobicContact CB-CG1 4.26Å | ||
| 139 | I | 94.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | trans | -101.6 | 115.8 | 174.8 | -63.1 | 172.9 | 0 | 0 | 0 | 108.7 | L102 V113 L137 W141 A142 A158 | L102-I139 HydrophobicContact CD2-CD1 3.3Å; V113-I139 HydrophobicContact CB-CG2 4.43Å; V113-I139 HydrophobicContact CG1-CB 4.32Å; V113-I139 HydrophobicContact CG2-CG2 4.2Å; L137-I139 HydrophobicContact CB-CD1 4.47Å; L137-I139 HydrophobicContact CB-CG1 4.33Å; L137-I139 PolarHBondContact O-N 2.86Å; I139-W141 HydrophobicContact CG2-CD2 4.06Å; I139-W141 HydrophobicContact CG2-CG 4.38Å; I139-W141 HydrophobicContact CG2-CH2 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 3.98Å; I139-A142 HydrophobicContact CG2-CB 4.01Å; I139-A158 HydrophobicContact CG1-CB 3.79Å | ||
| 140 | K | 87 | Confident | 92.5 | Very high | 198 Ų | 198 | 47.9 Ų | 47.9 | 86% | 0.861 | 28% | 0.275 | S | S | * | . | trans | -113.2 | -1.5 | -178 | -64.5 | -171.6 | 177.3 | -176.4 | 0 | 114.4 | ||||
| 141 | W | 88.3 | Confident | 92.7 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -102.5 | -16.7 | -171.1 | 53.6 | -106.9 | 0 | 0 | 0 | 112.9 | I139 E143 Y150 P155 S156 F174 I177 | I139-W141 HydrophobicContact CG2-CD2 4.06Å; I139-W141 HydrophobicContact CG2-CG 4.38Å; I139-W141 HydrophobicContact CG2-CH2 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 3.98Å; W141-E143 PolarHBondContact O-N 2.84Å; W141-Y150 HydrophobicContact CD2-CE1 4.33Å; W141-Y150 AromaticContact CE3-CD1 3.86Å; W141-Y150 HydrophobicContact CE3-CD1 3.86Å; W141-Y150 AromaticContact CE3-CE1 3.24Å; W141-Y150 HydrophobicContact CE3-CE1 3.24Å; W141-Y150 AromaticContact CE3-CZ 3.86Å; W141-Y150 AromaticContact CZ3-CD1 3.89Å; W141-Y150 HydrophobicContact CZ3-CD1 3.89Å; W141-Y150 AromaticContact CZ3-CE1 3.67Å; W141-Y150 HydrophobicContact CZ3-CE1 3.67Å; W141-Y150 WeakPolarHBondContact O-CE2 3.43Å; W141-Y150 PolarHBondContact O-OH 2.9Å; W141-P155 HydrophobicContact CD2-CB 3.82Å; W141-P155 HydrophobicContact CE3-CB 4.39Å; W141-P155 HydrophobicContact CG-CB 3.95Å; W141-P155 HydrophobicContact CZ2-CB 4.44Å; W141-S156 VanDerWaalsContact CD1-O 3.26Å; W141-S156 PolarHBondContact NE1-O 2.78Å; W141-S156 VanDerWaalsContact NE1-O 3.16Å; W141-F174 HydrophobicContact CZ2-CD2 4Å; W141-F174 HydrophobicContact CZ2-CE2 4.32Å; W141-I177 HydrophobicContact CE3-CG2 4.45Å; W141-I177 HydrophobicContact CH2-CD1 3.29Å; W141-I177 HydrophobicContact CH2-CG1 4.03Å; W141-I177 HydrophobicContact CH2-CG2 4.09Å; W141-I177 HydrophobicContact CZ2-CD1 3.96Å; W141-I177 HydrophobicContact CZ3-CD1 4.06Å; W141-I177 HydrophobicContact CZ3-CG1 4.32Å; W141-I177 HydrophobicContact CZ3-CG2 3.9Å |
| 142 | A | 90.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -91.8 | 86.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W111 S112 V113 I139 | W111-A142 HydrophobicContact CZ3-CB 4.41Å; S112-A142 VanDerWaalsContact CA-O 3.32Å; S112-A142 WeakPolarHBondContact CA-O 3.27Å; V113-A142 HydrophobicContact CB-CB 4.41Å; V113-A142 HydrophobicContact CG2-CB 3.47Å; V113-A142 VanDerWaalsContact CG2-CB 3.47Å; V113-A142 PolarHBondContact N-O 3.44Å; I139-A142 HydrophobicContact CG2-CB 4.01Å | ||
| 143 | E | 92.9 | Very high | 92.8 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 133.9 | 173.7 | -177 | 177.9 | 172.1 | 0 | 0 | 110.4 | W111 W141 Y150 | W111-E143 WeakPolarHBondContact O-CA 3.34Å; W141-E143 PolarHBondContact O-N 2.84Å; E143-Y150 WeakPolarHBondContact O-CD2 3.33Å |
| 144 | A | 94.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 164.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y110 W111 | Y110-A144 CarbonylContact C-O 3.56Å; Y110-A144 WeakPolarHBondContact CA-O 3.46Å; W111-A144 HydrophobicContact CH2-CB 4.34Å; W111-A144 HydrophobicContact CZ2-CB 3.53Å; W111-A144 PolarHBondContact N-O 2.82Å; W111-A144 PolarHBondContact NE1-O 2.89Å; W111-A144 PolarHBondContact O-N 3.43Å; W111-A144 VanDerWaalsContact O-N 3.13Å |
| 145 | P | 93.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 50.7 Ų | 50.7 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 151.3 | 168.8 | -25 | 35.6 | 0 | 0 | 0 | 113 | R109 Y110 W111 S147 L148 | R109-P145 CarbonylContact O-C 3.57Å; R109-P145 VanDerWaalsContact O-CA 3.3Å; R109-P145 WeakPolarHBondContact O-CA 3.31Å; Y110-P145 HydrophobicContact CD1-CG 4.16Å; Y110-P145 HydrophobicContact CE1-CG 3.79Å; W111-P145 PolarHBondContact NE1-O 3.41Å; W111-P145 VanDerWaalsContact NE1-O 3.15Å; P145-S147 PolarHBondContact O-N 2.91Å; P145-S147 VanDerWaalsContact O-N 3.1Å; P145-L148 HydrophobicContact CB-CD1 4.28Å; P145-L148 HydrophobicContact CB-CG 4.37Å; P145-L148 HydrophobicContact CG-CD1 4.05Å; P145-L148 PolarHBondContact O-N 2.73Å |
| 146 | V | 90.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.1 | -174.8 | -67.2 | 0 | 0 | 0 | 0 | 116.2 | K106 R109 | K106-V146 HydrophobicContact CD-CG1 3.7Å; K106-V146 HydrophobicContact CG-CG1 3.65Å; R109-V146 WeakPolarHBondContact O-CG1 3.33Å; R109-V146 PolarHBondContact O-N 3.42Å |
| 147 | S | 88.3 | Confident | 92.7 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5.2 | 176.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | P145 | P145-S147 PolarHBondContact O-N 2.91Å; P145-S147 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 93.2 | Very high | 92.7 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | trans | -120.1 | 145 | -172.6 | -58.4 | -178.9 | 0 | 0 | 0 | 111.2 | W111 P145 D191 T193 | W111-L148 PolarHBondContact NE1-O 2.73Å; P145-L148 HydrophobicContact CB-CD1 4.28Å; P145-L148 HydrophobicContact CB-CG 4.37Å; P145-L148 HydrophobicContact CG-CD1 4.05Å; P145-L148 PolarHBondContact O-N 2.73Å; L148-D191 CarbonylContact C-O 3.59Å; L148-D191 VanDerWaalsContact CA-O 3.24Å; L148-D191 WeakPolarHBondContact CA-O 3.18Å; L148-D191 HydrophobicContact CD2-CB 3.34Å; L148-T193 WeakPolarHBondContact CD1-OG1 3.32Å | ||
| 149 | G | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 174.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V179 D191 V192 T193 | G149-V179 CarbonylContact C-O 3.44Å; G149-V179 WeakPolarHBondContact CA-O 3.36Å; G149-D191 PolarHBondContact N-O 3.16Å; G149-V192 CarbonylContact O-C 3.55Å; G149-V192 WeakPolarHBondContact O-CA 3.47Å; G149-T193 PolarHBondContact O-N 2.96Å |
| 150 | Y | 95 | Very high | 92.8 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.6 | 172 | 175.7 | -91.8 | 0 | 0 | 0 | 109.2 | W141 E143 C152 I177 Q178 V179 T193 C195 | W141-Y150 HydrophobicContact CD2-CE1 4.33Å; W141-Y150 AromaticContact CE3-CD1 3.86Å; W141-Y150 HydrophobicContact CE3-CD1 3.86Å; W141-Y150 AromaticContact CE3-CE1 3.24Å; W141-Y150 HydrophobicContact CE3-CE1 3.24Å; W141-Y150 AromaticContact CE3-CZ 3.86Å; W141-Y150 AromaticContact CZ3-CD1 3.89Å; W141-Y150 HydrophobicContact CZ3-CD1 3.89Å; W141-Y150 AromaticContact CZ3-CE1 3.67Å; W141-Y150 HydrophobicContact CZ3-CE1 3.67Å; W141-Y150 WeakPolarHBondContact O-CE2 3.43Å; W141-Y150 PolarHBondContact O-OH 2.9Å; E143-Y150 WeakPolarHBondContact O-CD2 3.33Å; Y150-C152 HydrophobicContact CE1-CB 3.6Å; Y150-I177 HydrophobicContact CE1-CG2 4.42Å; Y150-Q178 CarbonylContact O-C 3.5Å; Y150-Q178 VanDerWaalsContact O-CA 3.23Å; Y150-Q178 WeakPolarHBondContact O-CA 3.49Å; Y150-V179 HydrophobicContact CD1-CG1 4.35Å; Y150-V179 PolarHBondContact N-O 3.32Å; Y150-V179 PolarHBondContact O-N 3.48Å; Y150-T193 CarbonylContact C-O 3.52Å; Y150-T193 WeakPolarHBondContact CA-O 3.28Å; Y150-C195 HydrophobicContact CE2-CB 3.94Å; Y150-C195 WeakPolarHBondContact OH-CB 3.44Å |
| 151 | K | 94.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.9 | 178 | -179.6 | 179.3 | 174.5 | -176.8 | 0 | 109.9 | I177 Q178 V192 T193 D194 C195 | K151-I177 CarbonylContact C-O 3.59Å; K151-I177 WeakPolarHBondContact CA-O 3.36Å; K151-Q178 HydrophobicContact CB-CG 4.31Å; K151-Q178 HydrophobicContact CG-CB 4.49Å; K151-V192 HydrophobicContact CB-CB 4.09Å; K151-V192 HydrophobicContact CB-CG2 3.94Å; K151-V192 HydrophobicContact CD-CG2 4.04Å; K151-T193 PolarHBondContact N-O 2.93Å; K151-D194 CarbonylContact O-C 3.55Å; K151-D194 WeakPolarHBondContact O-CA 3.45Å; K151-C195 PolarHBondContact O-N 2.82Å |
| 152 | C | 94.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 125.8 | 173.6 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | Y150 K154 P155 S176 I177 C195 | Y150-C152 HydrophobicContact CE1-CB 3.6Å; C152-K154 VanDerWaalsContact SG-C 3.58Å; C152-P155 HydrophobicContact CB-CB 4.33Å; C152-P155 VanDerWaalsContact SG-N 3.43Å; C152-S176 CarbonylContact O-C 3.59Å; C152-S176 VanDerWaalsContact O-CA 3.26Å; C152-S176 WeakPolarHBondContact O-CA 3.45Å; C152-I177 HydrophobicContact CB-CG2 3.99Å; C152-I177 PolarHBondContact N-O 3.45Å; C152-I177 PolarHBondContact O-N 3.35Å; C152-C195 WeakPolarHBondContact CA-SG 3.46Å; C152-C195 HydrophobicContact CB-CB 3.44Å; C152-C195 VanDerWaalsContact CB-CB 3.44Å; C152-C195 WeakPolarHBondContact CB-SG 3.39Å; C152-C195 WeakPolarHBondContact SG-CB 3.31Å; C152-C195 CovalentContact SG-SG 2.04Å; C152-C195 PolarHBondContact SG-SG 2.88Å |
| 153 | T | 93.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.5 | -38.3 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | S176 | T153-S176 WeakPolarHBondContact O-CA 3.4Å; T153-S176 PolarHBondContact O-N 2.98Å; T153-S176 PolarHBondContact O-OG 3.04Å |
| 154 | K | 92.2 | Very high | 92 | Very high | 182 Ų | 182 | 55.7 Ų | 55.7 | 79% | 0.791 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -136.9 | 74.2 | -177.5 | -68.2 | 176.6 | -175 | 160.3 | 0 | 110.4 | C152 | C152-K154 VanDerWaalsContact SG-C 3.58Š|
| 155 | P | 93.5 | Very high | 91.2 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.071 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.1 | 176 | 29.5 | -35.9 | 0 | 0 | 0 | 110.7 | W141 C152 F174 I177 | W141-P155 HydrophobicContact CD2-CB 3.82Å; W141-P155 HydrophobicContact CE3-CB 4.39Å; W141-P155 HydrophobicContact CG-CB 3.95Å; W141-P155 HydrophobicContact CZ2-CB 4.44Å; C152-P155 HydrophobicContact CB-CB 4.33Å; C152-P155 VanDerWaalsContact SG-N 3.43Å; P155-F174 WeakPolarHBondContact CD-O 3.47Å; P155-F174 HydrophobicContact CG-CB 3.86Å; P155-F174 VanDerWaalsContact CG-O 3.32Å; P155-F174 WeakPolarHBondContact CG-O 3.46Å; P155-I177 HydrophobicContact CB-CG2 4.12Å; P155-I177 HydrophobicContact CG-CG2 3.76Å |
| 156 | S | 93.2 | Very high | 90.4 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 144.3 | 170.6 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | W141 | W141-S156 VanDerWaalsContact CD1-O 3.26Å; W141-S156 PolarHBondContact NE1-O 2.78Å; W141-S156 VanDerWaalsContact NE1-O 3.16Å |
| 157 | V | 94.4 | Very high | 90 | Very high | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 140.9 | 173.9 | -77.7 | 0 | 0 | 0 | 0 | 110.8 | P159 Q173 | V157-P159 WeakPolarHBondContact O-CD 3.07Å; V157-Q173 HydrophobicContact CG1-CB 4.12Å; V157-Q173 HydrophobicContact CG1-CG 4Å |
| 158 | A | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 94.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.2 | I139 S171 I172 | I139-A158 HydrophobicContact CG1-CB 3.79Å; A158-S171 CarbonylContact O-C 3.52Å; A158-S171 WeakPolarHBondContact O-CA 3.14Å; A158-I172 PolarHBondContact N-O 3.01Å; A158-I172 PolarHBondContact O-N 2.88Å |
| 159 | P | 95.4 | Very high | 90 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.2 | 179 | 30.9 | -34.8 | 0 | 0 | 0 | 111.1 | A138 V157 | A138-P159 HydrophobicContact CB-CG 4Å; A138-P159 PolarHBondContact N-O 2.82Å; V157-P159 WeakPolarHBondContact O-CD 3.07Å |
| 160 | V | 95 | Very high | 90 | Very high | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 130.7 | 168 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | V118 V132 N135 L137 F162 V170 | V118-V160 HydrophobicContact CG1-CB 4.43Å; V118-V160 HydrophobicContact CG1-CG1 4.1Å; V118-V160 HydrophobicContact CG1-CG2 3.49Å; V118-V160 VanDerWaalsContact CG1-CG2 3.49Å; V132-V160 HydrophobicContact CG1-CG1 3.93Å; N135-V160 HydrophobicContact CB-CG1 3.49Å; N135-V160 VanDerWaalsContact CB-CG1 3.49Å; L137-V160 HydrophobicContact CD2-CG2 3.65Å; V160-F162 HydrophobicContact CB-CD2 4.34Å; V160-F162 HydrophobicContact CB-CE2 3.7Å; V160-F162 HydrophobicContact CB-CZ 4.08Å; V160-F162 HydrophobicContact CG1-CD2 4.32Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CZ 3.76Å; V160-F162 WeakPolarHBondContact O-CD2 3.26Å; V160-F162 PolarHBondContact O-N 2.92Å; V160-V170 HydrophobicContact CB-CB 4.19Å; V160-V170 WeakPolarHBondContact CB-O 3.24Å; V160-V170 HydrophobicContact CG2-CB 3.87Å; V160-V170 HydrophobicContact CG2-CG1 3.83Å; V160-V170 WeakPolarHBondContact CG2-O 3.2Å; V160-V170 PolarHBondContact N-O 2.84Å |
| 161 | I | 92.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 63 Ų | 63 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | trans | -82.6 | 115.1 | 178 | -55.7 | 172.6 | 0 | 0 | 0 | 108.1 | N135 P136 A138 | N135-I161 PolarHBondContact ND2-O 3.26Å; N135-I161 VanDerWaalsContact ND2-O 3.08Å; P136-I161 HydrophobicContact CB-CD1 4.42Å; P136-I161 HydrophobicContact CG-CB 4.16Å; P136-I161 HydrophobicContact CG-CD1 4.33Å; P136-I161 PolarHBondContact O-N 2.04Å; A138-I161 HydrophobicContact CB-CD1 4.2Å; A138-I161 HydrophobicContact CB-CG1 4.26Å | ||
| 162 | F | 88.5 | Confident | 90.1 | Very high | 45 Ų | 45 | 59 Ų | 59 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 152.1 | 172 | -68.3 | -79.3 | 0 | 0 | 0 | 110.6 | V130 V132 V160 V170 | V130-F162 HydrophobicContact CG1-CZ 4.49Å; V132-F162 HydrophobicContact CG1-CE1 4.44Å; V132-F162 HydrophobicContact CG2-CE1 4.04Å; V132-F162 HydrophobicContact CG2-CZ 3.8Å; V160-F162 HydrophobicContact CB-CD2 4.34Å; V160-F162 HydrophobicContact CB-CE2 3.7Å; V160-F162 HydrophobicContact CB-CZ 4.08Å; V160-F162 HydrophobicContact CG1-CD2 4.32Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CZ 3.76Å; V160-F162 WeakPolarHBondContact O-CD2 3.26Å; V160-F162 PolarHBondContact O-N 2.92Å; F162-V170 HydrophobicContact CE2-CB 3.83Å; F162-V170 HydrophobicContact CE2-CG2 3.91Å; F162-V170 HydrophobicContact CZ-CB 3.94Å; F162-V170 HydrophobicContact CZ-CG2 3.71Å |
| 163 | P | 82.1 | Confident | 90.2 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 66% | 0.656 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 139.1 | 162.3 | -19.9 | 31.7 | 0 | 0 | 0 | 110.2 | G165 | P163-G165 PolarHBondContact O-N 2.75Š|
| 164 | S | 77.6 | Confident | 90.3 | Very high | 132 Ų | 132 | 59 Ų | 59 | 92% | 0.923 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.1 | -178.9 | -59.1 | 0 | 0 | 0 | 0 | 112 | ||
| 165 | G | 77.2 | Confident | 90.4 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 86% | 0.856 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | 6.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P163 G167 | P163-G165 PolarHBondContact O-N 2.75Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 2.78Å |
| 166 | S | 77 | Confident | 90.4 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | trans | -64.9 | -28 | 179.4 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | Y168 | S166-Y168 WeakPolarHBondContact O-CD2 3.2Å; S166-Y168 WeakPolarHBondContact O-CE2 3.36Å; S166-Y168 PolarHBondContact O-N 2.97Å; S166-Y168 PolarHBondContact OG-O 3.27Å | ||
| 167 | G | 83.8 | Confident | 90.5 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 73.2 | 2.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G57 G165 | G57-G167 PolarHBondContact N-O 3.25Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 2.78Å |
| 168 | Y | 88.6 | Confident | 90.5 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148.9 | 176.5 | -49.7 | -83.9 | 0 | 0 | 0 | 109.9 | V55 S56 V130 S166 | V55-Y168 CarbonylContact O-C 3.52Å; V55-Y168 VanDerWaalsContact O-CA 3.25Å; V55-Y168 WeakPolarHBondContact O-CA 3.46Å; S56-Y168 WeakPolarHBondContact OG-CD1 3.17Å; S56-Y168 WeakPolarHBondContact OG-CE1 3.48Å; V130-Y168 HydrophobicContact CB-CG 4.48Å; V130-Y168 HydrophobicContact CG2-CD2 4.44Å; V130-Y168 HydrophobicContact CG2-CG 4.46Å; S166-Y168 WeakPolarHBondContact O-CD2 3.2Å; S166-Y168 WeakPolarHBondContact O-CE2 3.36Å; S166-Y168 PolarHBondContact O-N 2.97Å; S166-Y168 PolarHBondContact OG-O 3.27Å |
| 169 | S | 92.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.8 | 168.4 | 79.8 | 0 | 0 | 0 | 0 | 110 | V55 | V55-S169 VanDerWaalsContact CB-OG 3.31Å; V55-S169 WeakPolarHBondContact CB-OG 3.12Å; V55-S169 WeakPolarHBondContact CG2-OG 3.16Å; V55-S169 PolarHBondContact N-O 2.87Å; V55-S169 PolarHBondContact O-N 3.37Å |
| 170 | V | 95 | Very high | 90.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.3 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | V52 K53 I120 V130 V132 V160 F162 | V52-V170 HydrophobicContact CG1-CG1 3.97Å; K53-V170 CarbonylContact O-C 3.52Å; K53-V170 WeakPolarHBondContact O-CA 3.36Å; I120-V170 HydrophobicContact CD1-CG1 3.76Å; V130-V170 HydrophobicContact CG1-CG2 3.57Å; V132-V170 HydrophobicContact CG2-CG2 4.36Å; V160-V170 HydrophobicContact CB-CB 4.19Å; V160-V170 WeakPolarHBondContact CB-O 3.24Å; V160-V170 HydrophobicContact CG2-CB 3.87Å; V160-V170 HydrophobicContact CG2-CG1 3.83Å; V160-V170 WeakPolarHBondContact CG2-O 3.2Å; V160-V170 PolarHBondContact N-O 2.84Å; F162-V170 HydrophobicContact CE2-CB 3.83Å; F162-V170 HydrophobicContact CE2-CG2 3.91Å; F162-V170 HydrophobicContact CZ-CB 3.94Å; F162-V170 HydrophobicContact CZ-CG2 3.71Å |
| 171 | S | 95.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145.2 | 176.5 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | K53 A158 | K53-S171 PolarHBondContact N-O 2.9Å; K53-S171 PolarHBondContact O-N 2.86Å; A158-S171 CarbonylContact O-C 3.52Å; A158-S171 WeakPolarHBondContact O-CA 3.14Å |
| 172 | I | 96.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130 | 172.9 | -53.4 | -178.4 | 0 | 0 | 0 | 107.9 | I50 V100 V118 L137 A158 F174 | I50-I172 HydrophobicContact CG2-CG2 4.04Å; V100-I172 HydrophobicContact CG1-CD1 4.32Å; V100-I172 HydrophobicContact CG2-CD1 3.72Å; V118-I172 HydrophobicContact CB-CD1 4.27Å; V118-I172 HydrophobicContact CG2-CD1 4.02Å; L137-I172 HydrophobicContact CD1-CD1 3.78Å; L137-I172 HydrophobicContact CD2-CD1 3.91Å; L137-I172 HydrophobicContact CD2-CG1 4.1Å; L137-I172 HydrophobicContact CG-CD1 4.49Å; A158-I172 PolarHBondContact N-O 3.01Å; A158-I172 PolarHBondContact O-N 2.88Å; I172-F174 HydrophobicContact CB-CE2 4.23Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE1 4.16Å; I172-F174 HydrophobicContact CG2-CE2 3.58Å; I172-F174 HydrophobicContact CG2-CZ 3.55Å |
| 173 | Q | 95.3 | Very high | 90.6 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.1 | 177 | -171.6 | 173.8 | 12.9 | 0 | 0 | 109.2 | S51 V157 | S51-Q173 PolarHBondContact N-O 2.98Å; S51-Q173 PolarHBondContact O-N 3.08Å; V157-Q173 HydrophobicContact CG1-CB 4.12Å; V157-Q173 HydrophobicContact CG1-CG 4Å |
| 174 | F | 95.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.3 | 173.3 | -59.6 | -86.8 | 0 | 0 | 0 | 109.1 | F45 A47 I50 F87 W141 P155 I172 I177 | F45-F174 HydrophobicContact CZ-CD1 4.36Å; F45-F174 HydrophobicContact CZ-CE1 4.12Å; A47-F174 HydrophobicContact CB-CD1 4.48Å; I50-F174 HydrophobicContact CD1-CD1 4.23Å; I50-F174 HydrophobicContact CD1-CE1 4Å; I50-F174 HydrophobicContact CG1-CD1 3.88Å; I50-F174 HydrophobicContact CG1-CE1 4.08Å; I50-F174 HydrophobicContact CG2-CD1 4.27Å; I50-F174 HydrophobicContact CG2-CE1 4.03Å; F87-F174 HydrophobicContact CZ-CE1 4.28Å; F87-F174 HydrophobicContact CZ-CZ 4.48Å; W141-F174 HydrophobicContact CZ2-CD2 4Å; W141-F174 HydrophobicContact CZ2-CE2 4.32Å; P155-F174 WeakPolarHBondContact CD-O 3.47Å; P155-F174 HydrophobicContact CG-CB 3.86Å; P155-F174 VanDerWaalsContact CG-O 3.32Å; P155-F174 WeakPolarHBondContact CG-O 3.46Å; I172-F174 HydrophobicContact CB-CE2 4.23Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE1 4.16Å; I172-F174 HydrophobicContact CG2-CE2 3.58Å; I172-F174 HydrophobicContact CG2-CZ 3.55Å; F174-I177 HydrophobicContact CB-CB 4.37Å; F174-I177 HydrophobicContact CB-CD1 4.04Å; F174-I177 HydrophobicContact CD1-CD1 3.81Å; F174-I177 HydrophobicContact CD2-CD1 4.38Å; F174-I177 HydrophobicContact CE1-CD1 4.37Å; F174-I177 HydrophobicContact CG-CD1 3.82Å |
| 175 | T | 94.3 | Very high | 91.3 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.5 | 169.1 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | R48 S49 | R48-T175 WeakPolarHBondContact CB-O 3.29Å; R48-T175 PolarHBondContact N-O 3.49Å; S49-T175 PolarHBondContact N-O 2.84Å; S49-T175 PolarHBondContact O-N 3.27Å; S49-T175 WeakPolarHBondContact OG-CB 3.4Å; S49-T175 PolarHBondContact OG-OG1 3.05Å |
| 176 | S | 94.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.2 | 76.3 | -180 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | F46 A47 R48 C152 T153 | F46-S176 WeakPolarHBondContact CE1-O 3.39Å; A47-S176 WeakPolarHBondContact CA-O 3.19Å; R48-S176 PolarHBondContact N-O 3.07Å; R48-S176 VanDerWaalsContact N-O 3.08Å; C152-S176 CarbonylContact O-C 3.59Å; C152-S176 VanDerWaalsContact O-CA 3.26Å; C152-S176 WeakPolarHBondContact O-CA 3.45Å; T153-S176 WeakPolarHBondContact O-CA 3.4Å; T153-S176 PolarHBondContact O-N 2.98Å; T153-S176 PolarHBondContact O-OG 3.04Å |
| 177 | I | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 143.2 | 179.4 | -170.6 | 147.1 | 0 | 0 | 0 | 110.6 | F45 F46 W141 Y150 K151 C152 P155 F174 | F45-I177 HydrophobicContact CE2-CD1 3.55Å; F45-I177 HydrophobicContact CE2-CG1 4.11Å; F45-I177 HydrophobicContact CZ-CD1 3.86Å; F45-I177 HydrophobicContact CZ-CG1 4.47Å; F46-I177 CarbonylContact O-C 3.51Å; F46-I177 WeakPolarHBondContact O-CA 3.3Å; W141-I177 HydrophobicContact CE3-CG2 4.45Å; W141-I177 HydrophobicContact CH2-CD1 3.29Å; W141-I177 HydrophobicContact CH2-CG1 4.03Å; W141-I177 HydrophobicContact CH2-CG2 4.09Å; W141-I177 HydrophobicContact CZ2-CD1 3.96Å; W141-I177 HydrophobicContact CZ3-CD1 4.06Å; W141-I177 HydrophobicContact CZ3-CG1 4.32Å; W141-I177 HydrophobicContact CZ3-CG2 3.9Å; Y150-I177 HydrophobicContact CE1-CG2 4.42Å; K151-I177 CarbonylContact C-O 3.59Å; K151-I177 WeakPolarHBondContact CA-O 3.36Å; C152-I177 HydrophobicContact CB-CG2 3.99Å; C152-I177 PolarHBondContact N-O 3.45Å; C152-I177 PolarHBondContact O-N 3.35Å; P155-I177 HydrophobicContact CB-CG2 4.12Å; P155-I177 HydrophobicContact CG-CG2 3.76Å; F174-I177 HydrophobicContact CB-CB 4.37Å; F174-I177 HydrophobicContact CB-CD1 4.04Å; F174-I177 HydrophobicContact CD1-CD1 3.81Å; F174-I177 HydrophobicContact CD2-CD1 4.38Å; F174-I177 HydrophobicContact CE1-CD1 4.37Å; F174-I177 HydrophobicContact CG-CD1 3.82Å |
| 178 | Q | 95.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 16% | 0.159 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128.7 | 167.3 | -176.9 | 172.2 | -24 | 0 | 0 | 108.7 | F45 F46 Y150 K151 F189 V192 | F45-Q178 CarbonylContact C-O 3.56Å; F46-Q178 HydrophobicContact CB-CB 4.23Å; F46-Q178 HydrophobicContact CD1-CB 4.22Å; F46-Q178 PolarHBondContact N-O 2.92Å; F46-Q178 PolarHBondContact O-N 2.81Å; Y150-Q178 CarbonylContact O-C 3.5Å; Y150-Q178 VanDerWaalsContact O-CA 3.23Å; Y150-Q178 WeakPolarHBondContact O-CA 3.49Å; K151-Q178 HydrophobicContact CB-CG 4.31Å; K151-Q178 HydrophobicContact CG-CB 4.49Å; Q178-F189 HydrophobicContact CB-CE1 4.44Å; Q178-F189 HydrophobicContact CB-CZ 4.47Å; Q178-F189 HydrophobicContact CG-CD1 3.86Å; Q178-F189 HydrophobicContact CG-CE1 3.8Å; Q178-F189 HydrophobicContact CG-CG 4.31Å; Q178-F189 HydrophobicContact CG-CZ 4.19Å; Q178-V192 HydrophobicContact CG-CG1 4.23Å |
| 179 | V | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.4 | -177.3 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | F45 F104 W111 G149 Y150 | F45-V179 HydrophobicContact CD2-CB 4.25Å; F45-V179 HydrophobicContact CD2-CG2 4.21Å; F104-V179 HydrophobicContact CE1-CG2 3.96Å; F104-V179 HydrophobicContact CE2-CG2 4.3Å; F104-V179 HydrophobicContact CZ-CG2 3.67Å; W111-V179 HydrophobicContact CH2-CG1 3.91Å; W111-V179 HydrophobicContact CZ3-CG1 4.47Å; G149-V179 CarbonylContact C-O 3.44Å; G149-V179 WeakPolarHBondContact CA-O 3.36Å; Y150-V179 HydrophobicContact CD1-CG1 4.35Å; Y150-V179 PolarHBondContact N-O 3.32Å; Y150-V179 PolarHBondContact O-N 3.48Å |
| 180 | Q | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 96.7 | 174.5 | -172.4 | 174 | -22.1 | 0 | 0 | 108.1 | L43 A44 F182 G183 V184 F189 | L43-Q180 WeakPolarHBondContact CA-O 3.31Å; A44-Q180 PolarHBondContact N-O 3.23Å; A44-Q180 PolarHBondContact O-N 3.41Å; Q180-F182 WeakPolarHBondContact CG-O 3.47Å; Q180-F182 PolarHBondContact NE2-O 2.75Å; Q180-G183 PolarHBondContact NE2-O 3.43Å; Q180-V184 HydrophobicContact CB-CG2 3.77Å; Q180-V184 HydrophobicContact CG-CG2 3.57Å; Q180-V184 WeakPolarHBondContact O-CG2 3.43Å; Q180-F189 HydrophobicContact CB-CD1 3.8Å; Q180-F189 HydrophobicContact CB-CE1 4.16Å |
| 181 | P | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -81.2 | -14.9 | -173.8 | 23.5 | -23.1 | 0 | 0 | 0 | 114.7 | L43 S83 F104 W111 | L43-P181 HydrophobicContact CD1-CB 4.12Å; S83-P181 WeakPolarHBondContact CB-O 3.47Å; S83-P181 WeakPolarHBondContact OG-CB 3.41Å; S83-P181 PolarHBondContact OG-O 2.84Å; S83-P181 VanDerWaalsContact OG-O 3.06Å; F104-P181 HydrophobicContact CB-CB 3.59Å; F104-P181 HydrophobicContact CB-CG 3.88Å; F104-P181 HydrophobicContact CD1-CB 4.09Å; F104-P181 HydrophobicContact CD1-CG 3.88Å; F104-P181 HydrophobicContact CD2-CB 3.72Å; F104-P181 HydrophobicContact CD2-CG 4.41Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CG-CB 3.52Å; F104-P181 HydrophobicContact CG-CG 3.79Å; W111-P181 HydrophobicContact CD2-CG 3.39Å; W111-P181 HydrophobicContact CE3-CG 3.34Å; W111-P181 HydrophobicContact CG-CG 4.05Å; W111-P181 HydrophobicContact CH2-CG 3.88Å; W111-P181 VanDerWaalsContact CZ2-CD 3.43Å; W111-P181 HydrophobicContact CZ2-CG 3.9Å; W111-P181 HydrophobicContact CZ3-CG 3.61Å | ||
| 182 | F | 93.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -140.7 | 150.8 | -177.3 | -55.4 | -80.1 | 0 | 0 | 0 | 110.4 | S79 F104 K106 W111 Q180 V184 | S79-F182 WeakPolarHBondContact O-CE1 3.46Å; F104-F182 HydrophobicContact CB-CE2 4.03Å; F104-F182 HydrophobicContact CB-CZ 4.35Å; K106-F182 HydrophobicContact CB-CE2 4.5Å; K106-F182 HydrophobicContact CB-CZ 4.37Å; W111-F182 HydrophobicContact CB-CD2 3.73Å; W111-F182 HydrophobicContact CB-CE2 3.6Å; W111-F182 AromaticContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CE2 4.1Å; Q180-F182 WeakPolarHBondContact CG-O 3.47Å; Q180-F182 PolarHBondContact NE2-O 2.75Å; F182-V184 VanDerWaalsContact C-N 3.26Å; F182-V184 PolarHBondContact O-N 2.84Å |
| 183 | G | 88.3 | Confident | 91.4 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 69.4 | 17.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q180 | Q180-G183 PolarHBondContact NE2-O 3.43Š|
| 184 | V | 89.9 | Confident | 91.2 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.085 | 27% | 0.272 | C | S | . | . | trans | -68.7 | 137.4 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | G41 C42 A44 Q180 F182 G187 V188 | G41-V184 CarbonylContact O-C 3.58Å; G41-V184 WeakPolarHBondContact O-CB 3.46Å; G41-V184 VanDerWaalsContact O-CG1 3.31Å; G41-V184 WeakPolarHBondContact O-CG1 3.42Å; C42-V184 WeakPolarHBondContact O-CG2 3.38Å; A44-V184 HydrophobicContact CB-CG1 4.11Å; A44-V184 HydrophobicContact CB-CG2 4.09Å; Q180-V184 HydrophobicContact CB-CG2 3.77Å; Q180-V184 HydrophobicContact CG-CG2 3.57Å; Q180-V184 WeakPolarHBondContact O-CG2 3.43Å; F182-V184 VanDerWaalsContact C-N 3.26Å; F182-V184 PolarHBondContact O-N 2.84Å; V184-G187 VanDerWaalsContact CG1-CA 3.49Å; V184-V188 WeakPolarHBondContact CG1-O 3.14Å | ||
| 185 | K | 85.4 | Confident | 90.9 | Very high | 167 Ų | 167 | 48.9 Ų | 48.9 | 73% | 0.726 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -113.9 | 125 | 173.1 | -65.3 | -177.5 | 179.9 | 177.8 | 0 | 108.2 | G187 V188 | K185-G187 PolarHBondContact O-N 3.01Å; K185-G187 VanDerWaalsContact O-N 3.08Å; K185-V188 PolarHBondContact O-N 3.37Å |
| 186 | D | 83.6 | Confident | 90.4 | Very high | 153 Ų | 153 | 51.2 Ų | 51.2 | 82% | 0.818 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 29.1 | 177.2 | -53.9 | -46.4 | 0 | 0 | 0 | 114.6 | V188 | D186-V188 PolarHBondContact O-N 3.08Š|
| 187 | G | 80.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -2.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y36 N38 G41 V184 K185 | Y36-G187 PolarHBondContact OH-O 2.87Å; N38-G187 WeakPolarHBondContact ND2-CA 3.09Å; G41-G187 PolarHBondContact O-N 3.39Å; V184-G187 VanDerWaalsContact CG1-CA 3.49Å; K185-G187 PolarHBondContact O-N 3.01Å; K185-G187 VanDerWaalsContact O-N 3.08Å |
| 188 | V | 87 | Confident | 88.8 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 62% | 0.618 | 36% | 0.355 | S | S | * | . | B | Isolated β-bridge | trans | -85.2 | 129.9 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V184 K185 D186 G190 | V184-V188 WeakPolarHBondContact CG1-O 3.14Å; K185-V188 PolarHBondContact O-N 3.37Å; D186-V188 PolarHBondContact O-N 3.08Å; V188-G190 PolarHBondContact O-N 2.8Å |
| 189 | F | 90.4 | Very high | 88.2 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 19% | 0.193 | 38% | 0.377 | C | S | . | . | trans | -61.8 | 131.8 | 171.5 | -67.1 | -79.3 | 0 | 0 | 0 | 110.2 | Y36 A44 F46 Q178 Q180 | Y36-F189 AromaticContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CZ 4.42Å; Y36-F189 HydrophobicContact CE2-CD2 4.4Å; Y36-F189 AromaticContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CZ 4.12Å; A44-F189 HydrophobicContact CB-CD1 3.86Å; A44-F189 HydrophobicContact CB-CD2 4.46Å; A44-F189 HydrophobicContact CB-CE1 3.45Å; A44-F189 VanDerWaalsContact CB-CE1 3.45Å; A44-F189 HydrophobicContact CB-CE2 4.12Å; A44-F189 HydrophobicContact CB-CG 4.35Å; A44-F189 HydrophobicContact CB-CZ 3.59Å; A44-F189 WeakPolarHBondContact O-CE1 3.34Å; F46-F189 HydrophobicContact CB-CE2 3.91Å; F46-F189 HydrophobicContact CB-CZ 3.74Å; Q178-F189 HydrophobicContact CB-CE1 4.44Å; Q178-F189 HydrophobicContact CB-CZ 4.47Å; Q178-F189 HydrophobicContact CG-CD1 3.86Å; Q178-F189 HydrophobicContact CG-CE1 3.8Å; Q178-F189 HydrophobicContact CG-CG 4.31Å; Q178-F189 HydrophobicContact CG-CZ 4.19Å; Q180-F189 HydrophobicContact CB-CD1 3.8Å; Q180-F189 HydrophobicContact CB-CE1 4.16Å | ||
| 190 | G | 89.6 | Confident | 87.7 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | trans | -82.8 | -157.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V188 | V188-G190 PolarHBondContact O-N 2.8Š| ||
| 191 | D | 92.3 | Very high | 87.4 | Confident | 129 Ų | 129 | 76.4 Ų | 76.4 | 69% | 0.69 | 43% | 0.432 | S | S | * | . | trans | -60.8 | 147.1 | 175.6 | -67.3 | -32.4 | 0 | 0 | 0 | 111.3 | L148 G149 | L148-D191 CarbonylContact C-O 3.59Å; L148-D191 VanDerWaalsContact CA-O 3.24Å; L148-D191 WeakPolarHBondContact CA-O 3.18Å; L148-D191 HydrophobicContact CD2-CB 3.34Å; G149-D191 PolarHBondContact N-O 3.16Å | ||
| 192 | V | 92.5 | Very high | 87.2 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 26% | 0.261 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.5 | -173.9 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | G149 K151 Q178 | G149-V192 CarbonylContact O-C 3.55Å; G149-V192 WeakPolarHBondContact O-CA 3.47Å; K151-V192 HydrophobicContact CB-CB 4.09Å; K151-V192 HydrophobicContact CB-CG2 3.94Å; K151-V192 HydrophobicContact CD-CG2 4.04Å; Q178-V192 HydrophobicContact CG-CG1 4.23Å |
| 193 | T | 91.9 | Very high | 87.1 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.252 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.9 | 165.5 | -54.9 | 0 | 0 | 0 | 0 | 108.7 | L148 G149 Y150 K151 | L148-T193 WeakPolarHBondContact CD1-OG1 3.32Å; G149-T193 PolarHBondContact O-N 2.96Å; Y150-T193 CarbonylContact C-O 3.52Å; Y150-T193 WeakPolarHBondContact CA-O 3.28Å; K151-T193 PolarHBondContact N-O 2.93Å |
| 194 | D | 91.5 | Very high | 87.3 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 152.4 | 174.1 | -150.2 | -47.2 | 0 | 0 | 0 | 110.9 | K151 V196 | K151-D194 CarbonylContact O-C 3.55Å; K151-D194 WeakPolarHBondContact O-CA 3.45Å; D194-V196 VanDerWaalsContact C-N 3.32Å; D194-V196 HydrophobicContact CB-CG2 4.46Å; D194-V196 PolarHBondContact OD1-N 2.86Å |
| 195 | C | 89.1 | Confident | 87.5 | Confident | 48 Ų | 48 | 86 Ų | 86 | 32% | 0.324 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -74.6 | -23.9 | 177.2 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | Y150 K151 C152 | Y150-C195 HydrophobicContact CE2-CB 3.94Å; Y150-C195 WeakPolarHBondContact OH-CB 3.44Å; K151-C195 PolarHBondContact O-N 2.82Å; C152-C195 WeakPolarHBondContact CA-SG 3.46Å; C152-C195 HydrophobicContact CB-CB 3.44Å; C152-C195 VanDerWaalsContact CB-CB 3.44Å; C152-C195 WeakPolarHBondContact CB-SG 3.39Å; C152-C195 WeakPolarHBondContact SG-CB 3.31Å; C152-C195 CovalentContact SG-SG 2.04Å; C152-C195 PolarHBondContact SG-SG 2.88Å |
| 196 | V | 83.6 | Confident | 88 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -87.1 | 122.7 | 171.2 | -67.3 | 0 | 0 | 0 | 0 | 109 | D194 | D194-V196 VanDerWaalsContact C-N 3.32Å; D194-V196 HydrophobicContact CB-CG2 4.46Å; D194-V196 PolarHBondContact OD1-N 2.86Å |
| 197 | G | 78.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 61% | 0.608 | 45% | 0.447 | S | S | * | . | trans | -60.9 | 139.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F199 | G197-F199 PolarHBondContact O-N 2.95Å; G197-F199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | Y | 77.6 | Confident | 89.3 | Confident | 185 Ų | 185 | 82.7 Ų | 82.7 | 73% | 0.725 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -54.8 | -30.7 | 176.8 | -64.1 | -81.5 | 0 | 0 | 0 | 113 | S200 | Y198-S200 PolarHBondContact O-N 3.11Š|
| 199 | F | 81.1 | Confident | 89.8 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -97.1 | 70.2 | -179 | -62.5 | -79.8 | 0 | 0 | 0 | 112 | G197 V203 | G197-F199 PolarHBondContact O-N 2.95Å; G197-F199 VanDerWaalsContact O-N 3.13Å; F199-V203 HydrophobicContact CD1-CG1 4.47Å |
| 200 | S | 86 | Confident | 90.1 | Very high | 59 Ų | 59 | 83.1 Ų | 83.1 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | trans | -65.2 | 162.7 | 172.4 | 75.8 | 0 | 0 | 0 | 0 | 111.8 | Y198 G202 V203 W204 | Y198-S200 PolarHBondContact O-N 3.11Å; S200-G202 PolarHBondContact O-N 3.2Å; S200-G202 VanDerWaalsContact O-N 3.16Å; S200-G202 PolarHBondContact OG-N 2.72Å; S200-V203 PolarHBondContact O-N 3.29Å; S200-V203 PolarHBondContact OG-N 3.01Å; S200-W204 PolarHBondContact O-N 2.91Å; S200-W204 VanDerWaalsContact O-N 3.11Å | ||
| 201 | I | 89.8 | Confident | 90.5 | Very high | 148 Ų | 148 | 86 Ų | 86 | 76% | 0.759 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.2 | -32.6 | 174.3 | -171.9 | 59.6 | 0 | 0 | 0 | 112.7 | W204 S205 | I201-W204 PolarHBondContact O-N 2.82Å; I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 2.86Å |
| 202 | G | 90.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 85.1 Ų | 85.1 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S200 S205 S206 | S200-G202 PolarHBondContact O-N 3.2Å; S200-G202 VanDerWaalsContact O-N 3.16Å; S200-G202 PolarHBondContact OG-N 2.72Å; G202-S205 PolarHBondContact O-OG 3Å; G202-S205 VanDerWaalsContact O-OG 3.07Å; G202-S206 WeakPolarHBondContact O-CB 3.47Å; G202-S206 PolarHBondContact O-N 2.86Å |
| 203 | V | 91.2 | Very high | 91 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | F199 S200 S206 L207 | F199-V203 HydrophobicContact CD1-CG1 4.47Å; S200-V203 PolarHBondContact O-N 3.29Å; S200-V203 PolarHBondContact OG-N 3.01Å; V203-S206 PolarHBondContact O-N 3.16Å; V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 PolarHBondContact O-N 2.89Å |
| 204 | W | 92.3 | Very high | 91.3 | Very high | 125 Ų | 125 | 90.1 Ų | 90.1 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 177.3 | -85.3 | 111.8 | 0 | 0 | 0 | 113.4 | S200 I201 S206 L207 I208 | S200-W204 PolarHBondContact O-N 2.91Å; S200-W204 VanDerWaalsContact O-N 3.11Å; I201-W204 PolarHBondContact O-N 2.82Å; W204-S206 VanDerWaalsContact C-N 3.34Å; W204-S206 PolarHBondContact O-N 3.46Å; W204-L207 HydrophobicContact CE3-CD2 4.24Å; W204-L207 HydrophobicContact CZ3-CD2 4.06Å; W204-L207 PolarHBondContact O-N 2.81Å; W204-I208 WeakPolarHBondContact O-CB 3.26Å; W204-I208 WeakPolarHBondContact O-CD1 3.48Å; W204-I208 VanDerWaalsContact O-CG1 3.22Å; W204-I208 WeakPolarHBondContact O-CG1 3.4Å; W204-I208 PolarHBondContact O-N 2.85Å |
| 205 | S | 93.7 | Very high | 91.6 | Very high | 64 Ų | 64 | 90.9 Ų | 90.9 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 178.4 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | I201 G202 V209 | I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 2.86Å; G202-S205 PolarHBondContact O-OG 3Å; G202-S205 VanDerWaalsContact O-OG 3.07Å; S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 VanDerWaalsContact O-CG2 3.25Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 2.98Å |
| 206 | S | 94.9 | Very high | 92 | Very high | 72 Ų | 72 | 93 Ų | 93 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | G202 V203 W204 V209 S210 | G202-S206 WeakPolarHBondContact O-CB 3.47Å; G202-S206 PolarHBondContact O-N 2.86Å; V203-S206 PolarHBondContact O-N 3.16Å; W204-S206 VanDerWaalsContact C-N 3.34Å; W204-S206 PolarHBondContact O-N 3.46Å; S206-V209 PolarHBondContact O-N 3.09Å; S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 2.87Å; S206-S210 PolarHBondContact O-OG 2.82Å |
| 207 | L | 95.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 93.1 Ų | 93.1 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 178 | -175.9 | 63.6 | 0 | 0 | 0 | 111.2 | V203 W204 S210 I211 | V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 PolarHBondContact O-N 2.89Å; W204-L207 HydrophobicContact CE3-CD2 4.24Å; W204-L207 HydrophobicContact CZ3-CD2 4.06Å; W204-L207 PolarHBondContact O-N 2.81Å; L207-S210 PolarHBondContact O-N 2.93Å; L207-I211 HydrophobicContact CD1-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.96Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.27Å; L207-I211 PolarHBondContact O-N 3.07Å |
| 208 | I | 96.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 93.7 Ų | 93.7 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 178.5 | -69.1 | 165.9 | 0 | 0 | 0 | 111.1 | W204 S210 I211 L212 | W204-I208 WeakPolarHBondContact O-CB 3.26Å; W204-I208 WeakPolarHBondContact O-CD1 3.48Å; W204-I208 VanDerWaalsContact O-CG1 3.22Å; W204-I208 WeakPolarHBondContact O-CG1 3.4Å; W204-I208 PolarHBondContact O-N 2.85Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 2.8Å; I208-I211 PolarHBondContact O-N 2.86Å; I208-L212 WeakPolarHBondContact O-CB 3.31Å; I208-L212 PolarHBondContact O-N 3.41Å |
| 209 | V | 97.2 | Very high | 94.5 | Very high | 95 Ų | 95 | 92.5 Ų | 92.5 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | S205 S206 L212 L213 | S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 VanDerWaalsContact O-CG2 3.25Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 2.98Å; S206-V209 PolarHBondContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 2.85Å; V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.21Å |
| 210 | S | 96.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 87 Ų | 87 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | S206 L207 I208 L212 L213 V214 | S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 2.87Å; S206-S210 PolarHBondContact O-OG 2.82Å; L207-S210 PolarHBondContact O-N 2.93Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 2.8Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 2.89Å; S210-L213 PolarHBondContact O-N 2.88Å; S210-V214 WeakPolarHBondContact O-CB 3.37Å; S210-V214 VanDerWaalsContact O-CG2 3.28Å; S210-V214 WeakPolarHBondContact O-CG2 3.04Å; S210-V214 PolarHBondContact O-N 2.83Å |
| 211 | I | 97.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 89.1 Ų | 89.1 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.5 | -70 | 167.2 | 0 | 0 | 0 | 110.8 | L207 I208 V214 S215 | L207-I211 HydrophobicContact CD1-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.96Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.27Å; L207-I211 PolarHBondContact O-N 3.07Å; I208-I211 PolarHBondContact O-N 2.86Å; I211-V214 PolarHBondContact O-N 2.87Å; I211-S215 WeakPolarHBondContact O-CB 3.04Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.78Å |
| 212 | L | 97.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 86.6 Ų | 86.6 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 178.1 | -174.4 | 150.9 | 0 | 0 | 0 | 111.7 | I208 V209 S210 S215 V216 | I208-L212 WeakPolarHBondContact O-CB 3.31Å; I208-L212 PolarHBondContact O-N 3.41Å; V209-L212 PolarHBondContact O-N 2.85Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 2.89Å; L212-S215 WeakPolarHBondContact O-CB 3.38Å; L212-S215 PolarHBondContact O-N 2.8Å; L212-V216 HydrophobicContact CD2-CG2 4.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.84Å |
| 213 | L | 97.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 89.9 Ų | 89.9 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 177.9 | -175.1 | 152.6 | 0 | 0 | 0 | 111.2 | V209 S210 S215 V216 L217 | V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.21Å; S210-L213 PolarHBondContact O-N 2.88Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.89Å; L213-V216 PolarHBondContact O-N 2.79Å; L213-L217 VanDerWaalsContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 2.85Å |
| 214 | V | 98.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 92.8 Ų | 92.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | S210 I211 T218 | S210-V214 WeakPolarHBondContact O-CB 3.37Å; S210-V214 VanDerWaalsContact O-CG2 3.28Å; S210-V214 WeakPolarHBondContact O-CG2 3.04Å; S210-V214 PolarHBondContact O-N 2.83Å; I211-V214 PolarHBondContact O-N 2.87Å; V214-T218 VanDerWaalsContact O-CB 3.25Å; V214-T218 WeakPolarHBondContact O-CB 3.35Å; V214-T218 PolarHBondContact O-N 2.91Å; V214-T218 PolarHBondContact O-OG1 3.08Å |
| 215 | S | 97.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 91 Ų | 91 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | I211 L212 L213 T218 Y219 | I211-S215 WeakPolarHBondContact O-CB 3.04Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.78Å; L212-S215 WeakPolarHBondContact O-CB 3.38Å; L212-S215 PolarHBondContact O-N 2.8Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.89Å; S215-T218 PolarHBondContact O-N 3.06Å; S215-Y219 WeakPolarHBondContact O-CB 2.87Å; S215-Y219 PolarHBondContact O-N 2.79Å |
| 216 | V | 97.8 | Very high | 96 | Very high | 91 Ų | 91 | 91.6 Ų | 91.6 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.7 | -39 | 179 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | L212 L213 Y219 G220 | L212-V216 HydrophobicContact CD2-CG2 4.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.84Å; L213-V216 PolarHBondContact O-N 2.79Å; V216-Y219 PolarHBondContact O-N 3.12Å; V216-G220 PolarHBondContact O-N 3.41Å |
| 217 | L | 97.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.5 | 180 | 64.4 | 0 | 0 | 0 | 111.3 | L213 Y219 G220 L221 | L213-L217 VanDerWaalsContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 2.85Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 2.97Å; L217-G220 PolarHBondContact O-N 2.85Å; L217-L221 HydrophobicContact CD1-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.41Å |
| 218 | T | 97.2 | Very high | 95.1 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 177.6 | -56 | 0 | 0 | 0 | 0 | 110.6 | V214 S215 G220 L221 V222 | V214-T218 VanDerWaalsContact O-CB 3.25Å; V214-T218 WeakPolarHBondContact O-CB 3.35Å; V214-T218 PolarHBondContact O-N 2.91Å; V214-T218 PolarHBondContact O-OG1 3.08Å; S215-T218 PolarHBondContact O-N 3.06Å; T218-G220 PolarHBondContact O-N 2.85Å; T218-L221 PolarHBondContact O-N 2.79Å; T218-V222 HydrophobicContact CG2-CG2 4.5Å; T218-V222 VanDerWaalsContact O-CG2 3.29Å; T218-V222 WeakPolarHBondContact O-CG2 3.16Å; T218-V222 PolarHBondContact O-N 2.93Å |
| 219 | Y | 96.7 | Very high | 94.1 | Very high | 160 Ų | 160 | 97.7 Ų | 97.7 | 63% | 0.627 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.6 | -45.2 | 174.6 | -179.3 | -101.8 | 0 | 0 | 0 | 112.1 | S215 V216 L217 V222 M223 | S215-Y219 WeakPolarHBondContact O-CB 2.87Å; S215-Y219 PolarHBondContact O-N 2.79Å; V216-Y219 PolarHBondContact O-N 3.12Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 2.97Å; Y219-V222 PolarHBondContact O-N 2.84Å; Y219-M223 PolarHBondContact O-N 3.01Å |
| 220 | G | 96.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 96.2 Ų | 96.2 | 31% | 0.309 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.7 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V216 L217 T218 M223 L224 | V216-G220 PolarHBondContact O-N 3.41Å; L217-G220 PolarHBondContact O-N 2.85Å; T218-G220 PolarHBondContact O-N 2.85Å; G220-M223 WeakPolarHBondContact O-CB 3.02Å; G220-M223 PolarHBondContact O-N 2.03Å; G220-L224 WeakPolarHBondContact O-CG 3.25Å; G220-L224 PolarHBondContact O-N 2.8Å |
| 221 | L | 95.7 | Very high | 91.6 | Very high | 102 Ų | 102 | 100.7 Ų | 100.7 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -41 | 176.7 | -72.9 | 171 | 0 | 0 | 0 | 112.3 | L217 T218 M223 L224 A225 | L217-L221 HydrophobicContact CD1-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.41Å; T218-L221 PolarHBondContact O-N 2.79Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 3.29Å; L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.89Å |
| 222 | V | 95.8 | Very high | 90.1 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.8 | -42.6 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | T218 Y219 A225 S226 | T218-V222 HydrophobicContact CG2-CG2 4.5Å; T218-V222 VanDerWaalsContact O-CG2 3.29Å; T218-V222 WeakPolarHBondContact O-CG2 3.16Å; T218-V222 PolarHBondContact O-N 2.93Å; Y219-V222 PolarHBondContact O-N 2.84Å; V222-A225 PolarHBondContact O-N 2.83Å; V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 VanDerWaalsContact O-N 3.1Å |
| 223 | M | 94.5 | Very high | 88.4 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 53% | 0.527 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.2 | -47.5 | 175.1 | -114.2 | -77.1 | -172.9 | 0 | 0 | 111.8 | Y219 G220 L221 A225 S226 V227 | Y219-M223 PolarHBondContact O-N 3.01Å; G220-M223 WeakPolarHBondContact O-CB 3.02Å; G220-M223 PolarHBondContact O-N 2.03Å; L221-M223 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 2.69Å; M223-S226 PolarHBondContact O-N 2.84Å; M223-S226 VanDerWaalsContact O-N 3.12Å; M223-S226 PolarHBondContact O-OG 2.73Å; M223-V227 PolarHBondContact O-N 3.24Å |
| 224 | L | 93.1 | Very high | 86.7 | Confident | 127 Ų | 127 | 109.2 Ų | 109.2 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.6 | -41.8 | 176.7 | -73.1 | 170.6 | 0 | 0 | 0 | 112.4 | G220 L221 S226 V227 | G220-L224 WeakPolarHBondContact O-CG 3.25Å; G220-L224 PolarHBondContact O-N 2.8Å; L221-L224 PolarHBondContact O-N 3.29Å; L224-S226 PolarHBondContact O-N 2.83Å; L224-V227 PolarHBondContact O-N 3.47Å |
| 225 | A | 91.2 | Very high | 85.1 | Confident | 88 Ų | 88 | 109 Ų | 109 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -23.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L221 V222 M223 | L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.89Å; V222-A225 PolarHBondContact O-N 2.83Å; M223-A225 PolarHBondContact O-N 2.69Å |
| 226 | S | 91.3 | Very high | 83.4 | Confident | 76 Ų | 76 | 111.6 Ų | 111.6 | 53% | 0.531 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -81.2 | -13.1 | 176.7 | 76.8 | 0 | 0 | 0 | 0 | 114.2 | V222 M223 L224 Q228 | V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 VanDerWaalsContact O-N 3.1Å; M223-S226 PolarHBondContact O-N 2.84Å; M223-S226 VanDerWaalsContact O-N 3.12Å; M223-S226 PolarHBondContact O-OG 2.73Å; L224-S226 PolarHBondContact O-N 2.83Å; S226-Q228 PolarHBondContact O-N 3.2Å; S226-Q228 VanDerWaalsContact O-N 3.13Å |
| 227 | V | 89.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 115.2 Ų | 115.2 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | trans | -73.2 | 106.5 | 178 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | M223 L224 | M223-V227 PolarHBondContact O-N 3.24Å; L224-V227 PolarHBondContact O-N 3.47Å | ||
| 228 | Q | 81.3 | Confident | 79.9 | Confident | 172 Ų | 172 | 117.9 Ų | 117.9 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.1 | 170.1 | -64.9 | 175.2 | 18 | 0 | 0 | 109 | S226 S230 | S226-Q228 PolarHBondContact O-N 3.2Å; S226-Q228 VanDerWaalsContact O-N 3.13Å; Q228-S230 PolarHBondContact O-N 3.26Å |
| 229 | P | 75.5 | Confident | 78 | Confident | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.8 | 169.6 | -20.9 | 31.7 | 0 | 0 | 0 | 109.8 | E231 | P229-E231 PolarHBondContact O-N 2.88Š|
| 230 | S | 73.2 | Confident | 76.2 | Confident | 65 Ų | 65 | 123.4 Ų | 123.4 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 131.3 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | Q228 I232 Y233 | Q228-S230 PolarHBondContact O-N 3.26Å; S230-I232 PolarHBondContact O-N 3.19Å; S230-Y233 PolarHBondContact O-N 3.25Å; S230-Y233 VanDerWaalsContact O-N 3.11Å |
| 231 | E | 67.8 | Low | 74.6 | Confident | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -56.6 | -10.6 | 179.2 | -59.9 | -168.1 | 177.6 | 0 | 0 | 114.1 | P229 Y233 E234 | P229-E231 PolarHBondContact O-N 2.88Å; E231-Y233 PolarHBondContact O-N 2.95Å; E231-E234 PolarHBondContact O-N 3.03Å |
| 232 | I | 66.1 | Low | 72.9 | Confident | 145 Ų | 145 | 131.6 Ų | 131.6 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60.6 | -24.6 | 174.4 | -74 | 170.5 | 0 | 0 | 0 | 112.2 | S230 | S230-I232 PolarHBondContact O-N 3.19Š|
| 233 | Y | 62.7 | Low | 71.3 | Confident | 194 Ų | 194 | 134.8 Ų | 134.8 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -92.1 | -16.3 | -178.9 | -75.6 | -78.5 | 0 | 0 | 0 | 115 | S230 E231 | S230-Y233 PolarHBondContact O-N 3.25Å; S230-Y233 VanDerWaalsContact O-N 3.11Å; E231-Y233 PolarHBondContact O-N 2.95Å |
| 234 | E | 62.6 | Low | 69.7 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -17.2 | -176.8 | -68.8 | -64.7 | 157.4 | 0 | 0 | 113.3 | E231 P236 | E231-E234 PolarHBondContact O-N 3.03Å; E234-P236 WeakPolarHBondContact O-CD 3.03Å |
| 235 | D | 63.9 | Low | 68 | Low | 77 Ų | 77 | 130.6 Ų | 130.6 | 41% | 0.412 | 70% | 0.699 | S | S | . | * | trans | -122.5 | 86.3 | -172.6 | -149.7 | -14.3 | 0 | 0 | 0 | 113 | K237 K238 | D235-K237 PolarHBondContact O-N 2.85Å; D235-K238 HydrophobicContact CB-CB 4.02Å; D235-K238 PolarHBondContact O-N 3.01Å | ||
| 236 | P | 62.4 | Low | 66.5 | Low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13 | 177.2 | 23.2 | -32.1 | 0 | 0 | 0 | 113.2 | E234 | E234-P236 WeakPolarHBondContact O-CD 3.03Š|
| 237 | K | 61.3 | Low | 64.6 | Low | 168 Ų | 168 | 141.6 Ų | 141.6 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -16.7 | -177.5 | -62.4 | -171 | 179.5 | -170.9 | 0 | 114.3 | D235 K239 | D235-K237 PolarHBondContact O-N 2.85Å; K237-K239 PolarHBondContact O-N 3.25Å |
| 238 | K | 59.4 | Low | 63.4 | Low | 156 Ų | 156 | 143.6 Ų | 143.6 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -15.4 | -172.1 | -152.8 | 173.9 | -177.2 | 179.5 | 0 | 114.2 | D235 M240 | D235-K238 HydrophobicContact CB-CB 4.02Å; D235-K238 PolarHBondContact O-N 3.01Å; K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.19Å |
| 239 | K | 57.8 | Low | 62.4 | Low | 186 Ų | 186 | 142.1 Ų | 142.1 | 81% | 0.809 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 13.4 | 176.7 | -149.6 | -165.5 | 173.9 | -167.9 | 0 | 114.3 | K237 I241 | K237-K239 PolarHBondContact O-N 3.25Å; K239-I241 PolarHBondContact O-N 3.2Å |
| 240 | M | 59.5 | Low | 61.7 | Low | 163 Ų | 163 | 144.1 Ų | 144.1 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -76.9 | 80.4 | 159.1 | -69.1 | -177.3 | 67.9 | 0 | 0 | 108 | K238 Q242 | K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.19Å; M240-Q242 PolarHBondContact O-N 3.15Å | ||
| 241 | I | 63 | Low | 61 | Low | 125 Ų | 125 | 148.7 Ų | 148.7 | 64% | 0.641 | 76% | 0.763 | S | S | * | * | trans | -54.3 | 112.1 | 160.4 | -68.6 | 166.5 | 0 | 0 | 0 | 105.3 | K239 L243 | K239-I241 PolarHBondContact O-N 3.2Å; I241-L243 HydrophobicContact CG2-CD2 4.08Å; I241-L243 HydrophobicContact CG2-CG 4.05Å; I241-L243 PolarHBondContact O-N 3.34Å | ||
| 242 | Q | 59.8 | Low | 60.6 | Low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -61.7 | 88.1 | 165.1 | -82.4 | -177.3 | -92.6 | 0 | 0 | 107.3 | M240 G244 | M240-Q242 PolarHBondContact O-N 3.15Å; Q242-G244 PolarHBondContact O-N 3.48Å | ||
| 243 | L | 61 | Low | 60.2 | Low | 163 Ų | 163 | 148.7 Ų | 148.7 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 104 | 159.3 | -67 | 167.9 | 0 | 0 | 0 | 105.7 | I241 | I241-L243 HydrophobicContact CG2-CD2 4.08Å; I241-L243 HydrophobicContact CG2-CG 4.05Å; I241-L243 PolarHBondContact O-N 3.34Å | ||
| 244 | G | 61 | Low | 60 | Low | 70 Ų | 70 | 145.5 Ų | 145.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 124.3 | 77.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q242 | Q242-G244 PolarHBondContact O-N 3.48Š| ||
| 245 | A | 58.6 | Low | 59.8 | Low | 76 Ų | 76 | 144.6 Ų | 144.6 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | trans | -150.3 | 43.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 246 | D | 59.1 | Low | 59.5 | Low | 173 Ų | 173 | 150.3 Ų | 150.3 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -114.2 | 97.1 | 160.9 | -69.9 | -15.5 | 0 | 0 | 0 | 106.2 | ||||
| 247 | N | 51.2 | Low | 59.2 | Low | 221 Ų | 221 | 152.6 Ų | 152.6 | 100% | 1.182 | 80% | 0.8 | S | S | * | * | trans | -129.4 | 0 | 165.8 | 59.5 | -72.6 | 0 | 0 | 0 | 108.7 |
Retrieved 247 of 247 residues in 185.9 ms
(Link to these results)