| 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 | 37 | Very low | 38.9 | Very low | 246 Ų | 246 | 173.5 Ų | 173.5 | 100% | 1.212 | 84% | 0.838 | S | S | * | * | 0 | 115.4 | 0 | -64.4 | 180 | -159.1 | 0 | 0 | 105.7 | |||||
| 2 | E | 44.5 | Very low | 38.2 | Very low | 188 Ų | 188 | 170.9 Ų | 170.9 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | cis | -159.9 | 132.3 | 7.8 | -176.8 | 172.4 | 119.3 | 0 | 0 | 104.4 | ||||
| 3 | E | 33.5 | Very low | 38 | Very low | 167 Ų | 167 | 165.8 Ų | 165.8 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | -88.1 | 137.4 | -176.9 | -164.9 | 178.5 | -175 | 0 | 0 | 108.5 | ||||
| 4 | R | 41.2 | Very low | 37.6 | Very low | 193 Ų | 193 | 169.1 Ų | 169.1 | 73% | 0.728 | 83% | 0.831 | S | S | * | * | trans | -138.8 | 85.6 | 168.5 | -157 | 175.5 | -159.4 | -147.9 | 9.3 | 112.6 | ||||
| 5 | E | 42.4 | Very low | 37.2 | Very low | 145 Ų | 145 | 170.1 Ų | 170.1 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | trans | -61.2 | 145.4 | 153.8 | -62.6 | -173.1 | 118.1 | 0 | 0 | 110.8 | ||||
| 6 | R | 42.8 | Very low | 36.7 | Very low | 205 Ų | 205 | 166.1 Ų | 166.1 | 77% | 0.774 | 83% | 0.826 | S | S | * | * | trans | -123.5 | 105.4 | 160.2 | -84.7 | -177.5 | 169.9 | -171.3 | -7.3 | 109.6 | ||||
| 7 | K | 37.7 | Very low | 36.6 | Very low | 184 Ų | 184 | 160.8 Ų | 160.8 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -64.6 | 145.7 | 174.6 | -110.9 | 158.2 | 175 | 159.2 | 0 | 112.6 | ||||
| 8 | S | 36.2 | Very low | 36.3 | Very low | 117 Ų | 117 | 162.9 Ų | 162.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -67.1 | 147.6 | 162 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 9 | A | 34.5 | Very low | 36.5 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -153.1 | 121 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | R | 37.9 | Very low | 36.6 | Very low | 235 Ų | 235 | 156.9 Ų | 156.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -84.6 | 162.5 | 150.4 | -67.1 | -178.5 | 175 | -172.7 | -1.8 | 108 | ||||
| 11 | P | 40.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 157.5 Ų | 157.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | -146 | 173 | 113.9 | 33.2 | -14.5 | 0 | 0 | 0 | 115.7 | |||||
| 12 | D | 30.6 | Very low | 36.6 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 158.3 | -164.1 | -74.4 | -67.3 | 0 | 0 | 0 | 118.3 | ||||
| 13 | S | 35.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 29.5 | 121.3 | 139.4 | 72.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 14 | K | 32.3 | Very low | 37.2 | Very low | 212 Ų | 212 | 146 Ų | 146 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | trans | -134 | 123.7 | 139.6 | -87.9 | -175.4 | 178.7 | 175.9 | 0 | 110.6 | ||||
| 15 | H | 30.9 | Very low | 37.6 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 127.6 | 174.2 | -156.2 | -83.3 | 0 | 0 | 0 | 108.2 | ||||
| 16 | S | 29.7 | Very low | 37.4 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -141.8 | 104.5 | 161.6 | 58 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 17 | A | 35 | Very low | 37.6 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 125 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | F | 30.1 | Very low | 37.9 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | -145.9 | 106.1 | 152.8 | -81.2 | -78.9 | 0 | 0 | 0 | 106 | ||||
| 19 | G | 41.4 | Very low | 38.7 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -72.3 | 162.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | P | 37 | Very low | 39.6 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | trans | -113.1 | 117.6 | 147.8 | 13.2 | 6.5 | 0 | 0 | 0 | 108.9 | ||||
| 21 | E | 37.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -62.4 | 159.1 | 156 | -140.2 | -169.9 | 146.2 | 0 | 0 | 109.9 | ||||
| 22 | L | 37.1 | Very low | 41.7 | Very low | 136 Ų | 136 | 125 Ų | 125 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | trans | 86 | 95.3 | 156.3 | -64.7 | 150.3 | 0 | 0 | 0 | 117.9 | ||||
| 23 | V | 48.6 | Very low | 43.3 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | trans | -31.8 | 133.8 | 142.3 | -144.9 | 0 | 0 | 0 | 0 | 111.9 | E25 | V23-E25 HydrophobicContact CG1-CG 4.44Š| ||
| 24 | P | 42.6 | Very low | 44.8 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -109.6 | 110.2 | 140.4 | 7.8 | 12.3 | 0 | 0 | 0 | 107.6 | A26 | P24-A26 VanDerWaalsContact C-N 3.32Å; P24-A26 PolarHBondContact O-N 3.09Å | ||
| 25 | E | 48.2 | Very low | 47 | Very low | 185 Ų | 185 | 112.8 Ų | 112.8 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | trans | -53.7 | 100.1 | 154.7 | -63.7 | -83.7 | 131.7 | 0 | 0 | 107.3 | V23 | V23-E25 HydrophobicContact CG1-CG 4.44Š| ||
| 26 | A | 39.2 | Very low | 49.1 | Very low | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 63% | 0.625 | S | S | . | * | trans | -137.7 | 99.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | P24 T28 | P24-A26 VanDerWaalsContact C-N 3.32Å; P24-A26 PolarHBondContact O-N 3.09Å; A26-T28 WeakPolarHBondContact O-CB 3.39Å; A26-T28 VanDerWaalsContact O-CG2 3.3Å; A26-T28 WeakPolarHBondContact O-CG2 3.06Å; A26-T28 PolarHBondContact O-N 3.14Å; A26-T28 PolarHBondContact O-OG1 2.85Å | ||
| 27 | D | 46.6 | Very low | 51.4 | Low | 157 Ų | 157 | 103.6 Ų | 103.6 | 84% | 0.84 | 60% | 0.603 | S | S | * | * | trans | 25.5 | 51.2 | 140.1 | -146.5 | 38 | 0 | 0 | 0 | 117.3 | ||||
| 28 | T | 44.9 | Very low | 53.5 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | trans | -98.9 | 11.3 | -172.8 | 32.2 | 0 | 0 | 0 | 0 | 114 | A26 D30 | A26-T28 WeakPolarHBondContact O-CB 3.39Å; A26-T28 VanDerWaalsContact O-CG2 3.3Å; A26-T28 WeakPolarHBondContact O-CG2 3.06Å; A26-T28 PolarHBondContact O-N 3.14Å; A26-T28 PolarHBondContact O-OG1 2.85Å; T28-D30 PolarHBondContact O-N 3.22Å; T28-D30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | G | 51.7 | Low | 55.6 | Low | 54 Ų | 54 | 98.2 Ų | 98.2 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -23.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A33 | G29-A33 WeakPolarHBondContact O-CB 3.12Å |
| 30 | D | 54.5 | Low | 57.5 | Low | 113 Ų | 113 | 96.1 Ų | 96.1 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -94.3 | -31.5 | -170.4 | -52.1 | -37.4 | 0 | 0 | 0 | 113.1 | T28 N34 | T28-D30 PolarHBondContact O-N 3.22Å; T28-D30 VanDerWaalsContact O-N 3.13Å; D30-N34 PolarHBondContact O-N 2.93Å; D30-N34 PolarHBondContact O-ND2 3.27Å |
| 31 | D | 59.3 | Low | 59.5 | Low | 93 Ų | 93 | 99.7 Ų | 99.7 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.4 | -42.9 | -179.2 | -77.4 | -51.8 | 0 | 0 | 0 | 111.6 | A33 N34 E35 | D31-A33 VanDerWaalsContact C-N 3.25Å; D31-A33 PolarHBondContact O-N 3.09Å; D31-N34 PolarHBondContact O-N 3.35Å; D31-N34 VanDerWaalsContact O-N 3.08Å; D31-E35 WeakPolarHBondContact O-CG 3.1Å; D31-E35 PolarHBondContact O-N 2.91Å |
| 32 | E | 62 | Low | 61.7 | Low | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -34.4 | 175 | -66.1 | -167.9 | 108.4 | 0 | 0 | 111.6 | N34 E35 L36 | E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.17Å; E32-E35 PolarHBondContact O-N 3.36Å; E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 VanDerWaalsContact O-CG 3.25Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.36Å |
| 33 | A | 65 | Low | 64.1 | Low | 53 Ų | 53 | 95.4 Ų | 95.4 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G29 D31 N37 | G29-A33 WeakPolarHBondContact O-CB 3.12Å; D31-A33 VanDerWaalsContact C-N 3.25Å; D31-A33 PolarHBondContact O-N 3.09Å; A33-N37 VanDerWaalsContact O-CB 3.3Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.88Å |
| 34 | N | 68 | Low | 65.8 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79 | -28.4 | 177 | -77.2 | -43.9 | 0 | 0 | 0 | 112.9 | D30 D31 E32 S40 | D30-N34 PolarHBondContact O-N 2.93Å; D30-N34 PolarHBondContact O-ND2 3.27Å; D31-N34 PolarHBondContact O-N 3.35Å; D31-N34 VanDerWaalsContact O-N 3.08Å; E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.17Å; N34-S40 WeakPolarHBondContact O-CB 3.39Å; N34-S40 PolarHBondContact O-OG 2.92Å |
| 35 | E | 77.5 | Confident | 67.7 | Low | 74 Ų | 74 | 91.4 Ų | 91.4 | 35% | 0.346 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.4 | -29.8 | 175.1 | -69.8 | -179.3 | 168.7 | 0 | 0 | 112.5 | D31 E32 F43 D44 | D31-E35 WeakPolarHBondContact O-CG 3.1Å; D31-E35 PolarHBondContact O-N 2.91Å; E32-E35 PolarHBondContact O-N 3.36Å; E35-F43 WeakPolarHBondContact O-CA 3.39Å; E35-F43 VanDerWaalsContact O-CD2 3.29Å; E35-F43 WeakPolarHBondContact O-CD2 3.48Å; E35-D44 PolarHBondContact O-N 3.19Å |
| 36 | L | 75.4 | Confident | 69.3 | Low | 44 Ų | 44 | 87.9 Ų | 87.9 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -85.9 | -13.1 | 176.3 | -66.4 | 173.4 | 0 | 0 | 0 | 113.7 | E32 V38 L47 A48 P55 | E32-L36 WeakPolarHBondContact O-CB 3.2Å; E32-L36 VanDerWaalsContact O-CG 3.25Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.36Å; L36-V38 PolarHBondContact O-N 3.32Å; L36-L47 HydrophobicContact CD2-CB 4.5Å; L36-A48 HydrophobicContact CD2-CB 4.26Å; L36-P55 HydrophobicContact CB-CB 4.39Å; L36-P55 WeakPolarHBondContact O-CB 3.45Å |
| 37 | N | 77.5 | Confident | 71.4 | Confident | 52 Ų | 52 | 89.1 Ų | 89.1 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | trans | -84 | 117.1 | -176.9 | -171 | -13.1 | 0 | 0 | 0 | 111.7 | A33 C39 S40 F43 | A33-N37 VanDerWaalsContact O-CB 3.3Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.88Å; N37-C39 PolarHBondContact O-N 3.18Å; N37-C39 PolarHBondContact OD1-N 2.67Å; N37-C39 VanDerWaalsContact OD1-N 3.14Å; N37-S40 WeakPolarHBondContact O-CB 3.48Å; N37-S40 PolarHBondContact O-N 3.43Å; N37-F43 VanDerWaalsContact C-CD2 3.49Å; N37-F43 VanDerWaalsContact O-CD2 3.32Å; N37-F43 WeakPolarHBondContact O-CD2 3.27Å | ||
| 38 | V | 80 | Confident | 73.2 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.9 | -178.1 | -175.2 | 0 | 0 | 0 | 0 | 113 | L36 F43 L57 | L36-V38 PolarHBondContact O-N 3.32Å; V38-F43 HydrophobicContact CG2-CE2 3.98Å; V38-F43 HydrophobicContact CG2-CZ 4.22Å; V38-L57 HydrophobicContact CG2-CD2 4.49Å |
| 39 | C | 73.6 | Confident | 74.9 | Confident | 94 Ų | 94 | 84.4 Ų | 84.4 | 64% | 0.635 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.2 | -180 | -64.5 | 0 | 0 | 0 | 0 | 114.6 | N37 | N37-C39 PolarHBondContact O-N 3.18Å; N37-C39 PolarHBondContact OD1-N 2.67Å; N37-C39 VanDerWaalsContact OD1-N 3.14Å |
| 40 | S | 80.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 90.7 Ų | 90.7 | 23% | 0.231 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -89.6 | 149.1 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 112 | N34 N37 K42 F43 | N34-S40 WeakPolarHBondContact O-CB 3.39Å; N34-S40 PolarHBondContact O-OG 2.92Å; N37-S40 WeakPolarHBondContact O-CB 3.48Å; N37-S40 PolarHBondContact O-N 3.43Å; S40-K42 PolarHBondContact O-N 2.82Å; S40-K42 PolarHBondContact OG-N 3.33Å; S40-F43 PolarHBondContact O-N 3.35Å |
| 41 | E | 80.2 | Confident | 77.8 | Confident | 204 Ų | 204 | 86.6 Ų | 86.6 | 95% | 0.953 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19 | 175.5 | -65.4 | -179.1 | 176.9 | 0 | 0 | 113 | ||
| 42 | K | 84.1 | Confident | 78.6 | Confident | 148 Ų | 148 | 89.1 Ų | 89.1 | 64% | 0.643 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 21.9 | -179.3 | -61.1 | -178.1 | -177.9 | 177.7 | 0 | 113.3 | S40 D44 | S40-K42 PolarHBondContact O-N 2.82Å; S40-K42 PolarHBondContact OG-N 3.33Å; K42-D44 PolarHBondContact O-N 3.44Å |
| 43 | F | 85.8 | Confident | 79.1 | Confident | 68 Ų | 68 | 86.7 Ų | 86.7 | 30% | 0.298 | 48% | 0.475 | S | S | . | . | trans | -63.7 | 123.9 | -177.7 | 177.4 | -106 | 0 | 0 | 0 | 112.4 | E35 N37 V38 S40 P45 A48 | E35-F43 WeakPolarHBondContact O-CA 3.39Å; E35-F43 VanDerWaalsContact O-CD2 3.29Å; E35-F43 WeakPolarHBondContact O-CD2 3.48Å; N37-F43 VanDerWaalsContact C-CD2 3.49Å; N37-F43 VanDerWaalsContact O-CD2 3.32Å; N37-F43 WeakPolarHBondContact O-CD2 3.27Å; V38-F43 HydrophobicContact CG2-CE2 3.98Å; V38-F43 HydrophobicContact CG2-CZ 4.22Å; S40-F43 PolarHBondContact O-N 3.35Å; F43-P45 HydrophobicContact CE1-CB 4.09Å; F43-A48 HydrophobicContact CE2-CB 3.75Å; F43-A48 HydrophobicContact CZ-CB 3.72Å | ||
| 44 | D | 84.3 | Confident | 79.3 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 31% | 0.305 | 49% | 0.491 | S | S | . | . | trans | -103 | 111.3 | 174 | -172 | -15.2 | 0 | 0 | 0 | 111 | E35 K42 L46 L47 A48 | E35-D44 PolarHBondContact O-N 3.19Å; K42-D44 PolarHBondContact O-N 3.44Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 3.14Å; D44-L46 PolarHBondContact OD1-N 2.92Å; D44-L47 HydrophobicContact CB-CB 4.15Å; D44-L47 HydrophobicContact CB-CD1 4Å; D44-L47 HydrophobicContact CB-CG 4.2Å; D44-A48 WeakPolarHBondContact O-CB 3.2Å; D44-A48 PolarHBondContact O-N 3.46Å; D44-A48 VanDerWaalsContact O-N 3.14Å | ||
| 45 | P | 83.9 | Confident | 79.4 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -25.1 | -179 | 28.5 | -35.6 | 0 | 0 | 0 | 113.7 | F43 L49 | F43-P45 HydrophobicContact CE1-CB 4.09Å; P45-L49 WeakPolarHBondContact O-CB 3.1Å; P45-L49 PolarHBondContact O-N 2.89Å |
| 46 | L | 82 | Confident | 79 | Confident | 111 Ų | 111 | 87 Ų | 87 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -76.5 | -45.7 | -179.7 | -69.9 | 173.4 | 0 | 0 | 0 | 110.5 | D44 A48 L49 Y50 | D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 3.14Å; D44-L46 PolarHBondContact OD1-N 2.92Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 2.7Å; L46-L49 PolarHBondContact O-N 2.78Å; L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.47Å; L46-Y50 PolarHBondContact O-N 3.08Å; L46-Y50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 82.6 | Confident | 78.9 | Confident | 84 Ų | 84 | 89.9 Ų | 89.9 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 174.9 | -70 | 175.5 | 0 | 0 | 0 | 111.4 | L36 D44 L49 Y50 S51 | L36-L47 HydrophobicContact CD2-CB 4.5Å; D44-L47 HydrophobicContact CB-CB 4.15Å; D44-L47 HydrophobicContact CB-CD1 4Å; D44-L47 HydrophobicContact CB-CG 4.2Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.83Å; L47-Y50 PolarHBondContact O-N 3.1Å; L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.48Å; L47-S51 PolarHBondContact O-N 3.24Å |
| 48 | A | 83.3 | Confident | 78.5 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 12% | 0.124 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L36 F43 D44 L46 S51 P55 | L36-A48 HydrophobicContact CD2-CB 4.26Å; F43-A48 HydrophobicContact CE2-CB 3.75Å; F43-A48 HydrophobicContact CZ-CB 3.72Å; D44-A48 WeakPolarHBondContact O-CB 3.2Å; D44-A48 PolarHBondContact O-N 3.46Å; D44-A48 VanDerWaalsContact O-N 3.14Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 2.7Å; A48-S51 PolarHBondContact O-OG 2.96Å; A48-P55 HydrophobicContact CB-CG 4.31Å |
| 49 | L | 82.3 | Confident | 78.2 | Confident | 128 Ų | 128 | 93.7 Ų | 93.7 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -82.5 | -35.1 | 177.7 | -176.3 | 66.2 | 0 | 0 | 0 | 112.2 | P45 L46 L47 | P45-L49 WeakPolarHBondContact O-CB 3.1Å; P45-L49 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 2.78Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.83Å |
| 50 | Y | 84 | Confident | 78 | Confident | 185 Ų | 185 | 95 Ų | 95 | 73% | 0.725 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -95.5 | -2 | -179.3 | -67.6 | -70.1 | 0 | 0 | 0 | 113.3 | L46 L47 | L46-Y50 VanDerWaalsContact O-CD2 3.23Å; L46-Y50 WeakPolarHBondContact O-CD2 3.47Å; L46-Y50 PolarHBondContact O-N 3.08Å; L46-Y50 VanDerWaalsContact O-N 3.16Å; L47-Y50 PolarHBondContact O-N 3.1Å |
| 51 | S | 81.8 | Confident | 77.7 | Confident | 28 Ų | 28 | 101.2 Ų | 101.2 | 20% | 0.196 | 56% | 0.559 | C | S | . | * | trans | -66.7 | 135.4 | 176.7 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | L47 A48 A53 | L47-S51 VanDerWaalsContact O-CB 3.3Å; L47-S51 WeakPolarHBondContact O-CB 3.48Å; L47-S51 PolarHBondContact O-N 3.24Å; A48-S51 PolarHBondContact O-OG 2.96Å; S51-A53 PolarHBondContact O-N 2.91Å; S51-A53 PolarHBondContact OG-O 3.08Å | ||
| 52 | P | 76.7 | Confident | 77.5 | Confident | 146 Ų | 146 | 97 Ų | 97 | 95% | 0.948 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -69.7 | -22.9 | 179.5 | 25.1 | -31.8 | 0 | 0 | 0 | 112.8 | ||
| 53 | A | 72.9 | Confident | 77.2 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -103.8 | 136 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S51 | S51-A53 PolarHBondContact O-N 2.91Å; S51-A53 PolarHBondContact OG-O 3.08Å |
| 54 | A | 68.3 | Low | 76.9 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 55 | P | 70.1 | Confident | 76.7 | Confident | 27 Ų | 27 | 97.3 Ų | 97.3 | 18% | 0.175 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 147 | 179.6 | 22.4 | -32.6 | 0 | 0 | 0 | 110.9 | L36 A48 L57 | L36-P55 HydrophobicContact CB-CB 4.39Å; L36-P55 WeakPolarHBondContact O-CB 3.45Å; A48-P55 HydrophobicContact CB-CG 4.31Å; P55-L57 PolarHBondContact O-N 3.09Å |
| 56 | P | 69.9 | Low | 76.8 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | trans | -62.3 | 105.5 | 179.4 | 25.6 | -32.5 | 0 | 0 | 0 | 109.4 | ||||
| 57 | L | 72.1 | Confident | 77 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 55% | 0.55 | 56% | 0.563 | S | S | . | * | trans | -70.3 | 135.6 | 176.1 | -65.2 | 177.3 | 0 | 0 | 0 | 109 | V38 P55 F59 | V38-L57 HydrophobicContact CG2-CD2 4.49Å; P55-L57 PolarHBondContact O-N 3.09Å; L57-F59 PolarHBondContact O-N 3.3Å | ||
| 58 | P | 70.8 | Confident | 77.1 | Confident | 58 Ų | 58 | 101.1 Ų | 101.1 | 38% | 0.377 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -61.7 | -20.6 | -177 | 22.4 | -33.2 | 0 | 0 | 0 | 113.5 | ||
| 59 | F | 72.8 | Confident | 77 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 63% | 0.627 | 59% | 0.594 | S | S | * | * | trans | -132.6 | 81.3 | 178.6 | -55.7 | -72.3 | 0 | 0 | 0 | 110.7 | L57 N61 I62 | L57-F59 PolarHBondContact O-N 3.3Å; F59-N61 PolarHBondContact O-N 3.09Å; F59-I62 HydrophobicContact CB-CB 4.2Å; F59-I62 HydrophobicContact CB-CG2 4.46Å; F59-I62 WeakPolarHBondContact O-CG2 3.45Å; F59-I62 PolarHBondContact O-N 3.45Å | ||
| 60 | P | 69.4 | Low | 77 | Confident | 121 Ų | 121 | 101 Ų | 101 | 79% | 0.786 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -20.8 | -172.7 | 25.5 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 61 | N | 74.4 | Confident | 76.9 | Confident | 164 Ų | 164 | 97.8 Ų | 97.8 | 88% | 0.877 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 17.1 | -178.2 | -154.5 | 8.2 | 0 | 0 | 0 | 113.1 | F59 | F59-N61 PolarHBondContact O-N 3.09Š|
| 62 | I | 77.1 | Confident | 77 | Confident | 114 Ų | 114 | 100.5 Ų | 100.5 | 59% | 0.585 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -77.5 | 137.4 | 175.8 | -157.6 | 162.1 | 0 | 0 | 0 | 110 | F59 C64 | F59-I62 HydrophobicContact CB-CB 4.2Å; F59-I62 HydrophobicContact CB-CG2 4.46Å; F59-I62 WeakPolarHBondContact O-CG2 3.45Å; F59-I62 PolarHBondContact O-N 3.45Å; I62-C64 PolarHBondContact O-N 3.4Å |
| 63 | K | 77.6 | Confident | 76.8 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 55% | 0.548 | 55% | 0.549 | S | S | . | . | trans | -70.4 | 107.8 | 175.2 | -173.3 | 174.9 | 178.2 | -173.8 | 0 | 108.9 | F65 | K63-F65 HydrophobicContact CB-CE2 4.46Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CE1 3.7Å; K63-F65 HydrophobicContact CD-CZ 3.88Å; K63-F65 HydrophobicContact CG-CD1 4.5Å; K63-F65 HydrophobicContact CG-CE1 4.03Å; K63-F65 HydrophobicContact CG-CZ 4.1Å; K63-F65 WeakPolarHBondContact O-CD2 3.37Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-F65 PolarHBondContact O-N 2.96Å | ||
| 64 | C | 78.4 | Confident | 77.1 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 69% | 0.689 | 54% | 0.544 | S | S | * | . | trans | -66.2 | 124.7 | 171.5 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | I62 | I62-C64 PolarHBondContact O-N 3.4Š| ||
| 65 | F | 81.3 | Confident | 77.6 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 23% | 0.228 | 54% | 0.535 | C | S | . | . | trans | -102.4 | 133 | 173.4 | -63.7 | -69.1 | 0 | 0 | 0 | 108.3 | K63 N67 E70 Y71 F74 | K63-F65 HydrophobicContact CB-CE2 4.46Å; K63-F65 HydrophobicContact CB-CZ 4.22Å; K63-F65 HydrophobicContact CD-CE1 3.7Å; K63-F65 HydrophobicContact CD-CZ 3.88Å; K63-F65 HydrophobicContact CG-CD1 4.5Å; K63-F65 HydrophobicContact CG-CE1 4.03Å; K63-F65 HydrophobicContact CG-CZ 4.1Å; K63-F65 WeakPolarHBondContact O-CD2 3.37Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-F65 PolarHBondContact O-N 2.96Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.1Å; F65-E70 HydrophobicContact CB-CB 4.28Å; F65-E70 HydrophobicContact CD1-CB 4.07Å; F65-E70 VanDerWaalsContact CD1-CD 3.49Å; F65-E70 HydrophobicContact CD1-CG 3.59Å; F65-E70 HydrophobicContact CE1-CG 4.21Å; F65-E70 HydrophobicContact CG-CG 4.48Å; F65-Y71 AromaticContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CG 4.45Å; F65-Y71 AromaticContact CE2-CD2 3.95Å; F65-Y71 HydrophobicContact CE2-CD2 3.95Å; F65-F74 HydrophobicContact CE1-CB 4.05Å; F65-F74 HydrophobicContact CE1-CD2 4.31Å; F65-F74 HydrophobicContact CE1-CG 4.18Å; F65-F74 HydrophobicContact CE2-CB 4.45Å; F65-F74 HydrophobicContact CE2-CD1 4.18Å; F65-F74 HydrophobicContact CE2-CG 4.28Å; F65-F74 HydrophobicContact CZ-CB 3.72Å; F65-F74 AromaticContact CZ-CD1 3.8Å; F65-F74 HydrophobicContact CZ-CD1 3.8Å; F65-F74 AromaticContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CE1 4.35Å; F65-F74 HydrophobicContact CZ-CE2 4.35Å; F65-F74 AromaticContact CZ-CG 3.49Å; F65-F74 HydrophobicContact CZ-CG 3.49Å; F65-F74 VanDerWaalsContact CZ-CG 3.49Å | ||
| 66 | N | 85.1 | Confident | 77.9 | Confident | 143 Ų | 143 | 105.1 Ų | 105.1 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -73.4 | -27.4 | -178.1 | -69.9 | -26 | 0 | 0 | 0 | 111.8 | E70 | N66-E70 PolarHBondContact N-OE2 3.48Š|
| 67 | N | 85.6 | Confident | 77.7 | Confident | 113 Ų | 113 | 103 Ų | 103 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -136.2 | 149.3 | -174.4 | -67.3 | -40.4 | 0 | 0 | 0 | 111.7 | F65 A69 E70 Y71 | F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.1Å; N67-A69 PolarHBondContact O-N 3.35Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.49Å; N67-Y71 PolarHBondContact O-N 3.21Å |
| 68 | V | 84.6 | Confident | 76.6 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.6 | -35.8 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E70 Y71 E72 | V68-E70 VanDerWaalsContact C-N 3.29Å; V68-E70 PolarHBondContact O-N 3.19Å; V68-Y71 WeakPolarHBondContact O-CB 3.45Å; V68-Y71 PolarHBondContact O-N 3.47Å; V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.29Å; V68-E72 PolarHBondContact O-N 2.64Å |
| 69 | A | 82.6 | Confident | 75.8 | Confident | 71 Ų | 71 | 109.8 Ų | 109.8 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -35 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N67 S73 | N67-A69 PolarHBondContact O-N 3.35Å; A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.42Å |
| 70 | E | 81.6 | Confident | 75 | Confident | 69 Ų | 69 | 106.6 Ų | 106.6 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.9 | -43.1 | 178.1 | -163.4 | -174.1 | 170 | 0 | 0 | 110.5 | F65 N66 N67 V68 S73 F74 | F65-E70 HydrophobicContact CB-CB 4.28Å; F65-E70 HydrophobicContact CD1-CB 4.07Å; F65-E70 VanDerWaalsContact CD1-CD 3.49Å; F65-E70 HydrophobicContact CD1-CG 3.59Å; F65-E70 HydrophobicContact CE1-CG 4.21Å; F65-E70 HydrophobicContact CG-CG 4.48Å; N66-E70 PolarHBondContact N-OE2 3.48Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.49Å; V68-E70 VanDerWaalsContact C-N 3.29Å; V68-E70 PolarHBondContact O-N 3.19Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-S73 PolarHBondContact O-OG 2.8Å; E70-F74 WeakPolarHBondContact O-CB 3.41Å; E70-F74 PolarHBondContact O-N 3.18Å |
| 71 | Y | 82.1 | Confident | 74.3 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 46% | 0.459 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.2 | -47.4 | 173.5 | 175.2 | -110.7 | 0 | 0 | 0 | 112.2 | F65 N67 V68 S73 F74 L75 | F65-Y71 AromaticContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CD2 3.86Å; F65-Y71 HydrophobicContact CD2-CG 4.45Å; F65-Y71 AromaticContact CE2-CD2 3.95Å; F65-Y71 HydrophobicContact CE2-CD2 3.95Å; N67-Y71 PolarHBondContact O-N 3.21Å; V68-Y71 WeakPolarHBondContact O-CB 3.45Å; V68-Y71 PolarHBondContact O-N 3.47Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.49Å; Y71-F74 WeakPolarHBondContact O-CB 3.36Å; Y71-F74 PolarHBondContact O-N 3.41Å; Y71-F74 VanDerWaalsContact O-N 3.14Å; Y71-L75 HydrophobicContact CD1-CD1 4.01Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 4.03Å; Y71-L75 HydrophobicContact CE2-CG 4.23Å; Y71-L75 PolarHBondContact O-N 2.76Å |
| 72 | E | 82.9 | Confident | 73.3 | Confident | 86 Ų | 86 | 104.8 Ų | 104.8 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -38.9 | 176.2 | -76.1 | -171.3 | -155.1 | 0 | 0 | 112.1 | V68 F74 L75 K76 | V68-E72 HydrophobicContact CG1-CG 4.37Å; V68-E72 WeakPolarHBondContact O-CG 3.29Å; V68-E72 PolarHBondContact O-N 2.64Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-F74 PolarHBondContact O-N 3.5Å; E72-L75 PolarHBondContact O-N 2.9Å; E72-K76 WeakPolarHBondContact O-CB 3.47Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.39Å; E72-K76 IonicContact OE2-NZ 2.74Å; E72-K76 PolarHBondContact OE2-NZ 2.87Å |
| 73 | S | 74.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 105.7 Ų | 105.7 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -34 | 176.8 | 80.2 | 0 | 0 | 0 | 0 | 112.3 | A69 E70 Y71 G77 G78 | A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.42Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-S73 PolarHBondContact O-OG 2.8Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.49Å; S73-G77 PolarHBondContact O-N 3.17Å; S73-G78 PolarHBondContact O-N 2.76Å |
| 74 | F | 77.5 | Confident | 71.8 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 46% | 0.456 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -46.6 | 175.9 | 179.6 | -99.1 | 0 | 0 | 0 | 111.2 | F65 E70 Y71 E72 G77 | F65-F74 HydrophobicContact CE1-CB 4.05Å; F65-F74 HydrophobicContact CE1-CD2 4.31Å; F65-F74 HydrophobicContact CE1-CG 4.18Å; F65-F74 HydrophobicContact CE2-CB 4.45Å; F65-F74 HydrophobicContact CE2-CD1 4.18Å; F65-F74 HydrophobicContact CE2-CG 4.28Å; F65-F74 HydrophobicContact CZ-CB 3.72Å; F65-F74 AromaticContact CZ-CD1 3.8Å; F65-F74 HydrophobicContact CZ-CD1 3.8Å; F65-F74 AromaticContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CD2 3.8Å; F65-F74 HydrophobicContact CZ-CE1 4.35Å; F65-F74 HydrophobicContact CZ-CE2 4.35Å; F65-F74 AromaticContact CZ-CG 3.49Å; F65-F74 HydrophobicContact CZ-CG 3.49Å; F65-F74 VanDerWaalsContact CZ-CG 3.49Å; E70-F74 WeakPolarHBondContact O-CB 3.41Å; E70-F74 PolarHBondContact O-N 3.18Å; Y71-F74 WeakPolarHBondContact O-CB 3.36Å; Y71-F74 PolarHBondContact O-N 3.41Å; Y71-F74 VanDerWaalsContact O-N 3.14Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-F74 PolarHBondContact O-N 3.5Å; F74-G77 PolarHBondContact O-N 2.91Å |
| 75 | L | 79.5 | Confident | 71 | Confident | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -45.9 | 174.8 | -82.7 | 171.7 | 0 | 0 | 0 | 112.7 | Y71 E72 G77 | Y71-L75 HydrophobicContact CD1-CD1 4.01Å; Y71-L75 HydrophobicContact CE1-CD1 3.36Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 4.03Å; Y71-L75 HydrophobicContact CE2-CG 4.23Å; Y71-L75 PolarHBondContact O-N 2.76Å; E72-L75 PolarHBondContact O-N 2.9Å; L75-G77 PolarHBondContact O-N 2.71Å; L75-G77 VanDerWaalsContact O-N 3.09Å |
| 76 | K | 76.2 | Confident | 70.2 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 68% | 0.683 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 3.1 | -178.6 | -69.1 | 168.8 | -179.3 | 165.6 | 0 | 113 | E72 G78 | E72-K76 WeakPolarHBondContact O-CB 3.47Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.39Å; E72-K76 IonicContact OE2-NZ 2.74Å; E72-K76 PolarHBondContact OE2-NZ 2.87Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 3.3Å |
| 77 | G | 65.2 | Low | 69.5 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 45% | 0.454 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 59.8 | 38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S73 F74 L75 | S73-G77 PolarHBondContact O-N 3.17Å; F74-G77 PolarHBondContact O-N 2.91Å; L75-G77 PolarHBondContact O-N 2.71Å; L75-G77 VanDerWaalsContact O-N 3.09Å |
| 78 | G | 50.1 | Low | 68.8 | Low | 35 Ų | 35 | 102.5 Ų | 102.5 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | trans | -56.6 | 146.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S73 K76 G80 R81 | S73-G78 PolarHBondContact O-N 2.76Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 3.3Å; G78-G80 PolarHBondContact O-N 2.8Å; G78-R81 PolarHBondContact O-N 2.95Å | ||
| 79 | R | 53.8 | Low | 68.2 | Low | 270 Ų | 270 | 103 Ų | 103 | 100% | 1.019 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37 | 93.1 | 177.9 | -66.1 | 178.8 | 177 | -176.1 | 0.1 | 112.5 | ||
| 80 | G | 55.3 | Low | 67.6 | Low | 75 Ų | 75 | 109.2 Ų | 109.2 | 77% | 0.773 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161 | -21.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G78 A82 | G78-G80 PolarHBondContact O-N 2.8Å; G80-A82 PolarHBondContact O-N 3.4Å |
| 81 | R | 55.9 | Low | 67 | Low | 182 Ų | 182 | 111.8 Ų | 111.8 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | trans | -65.7 | 103.1 | 166.4 | -137.3 | 170 | -174.3 | 150.4 | -1.3 | 108.6 | G78 K83 | G78-R81 PolarHBondContact O-N 2.95Å; R81-K83 PolarHBondContact O-N 3.25Å | ||
| 82 | A | 53.4 | Low | 66.6 | Low | 65 Ų | 65 | 114.4 Ų | 114.4 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | trans | -65.5 | 92.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | G80 V87 | G80-A82 PolarHBondContact O-N 3.4Å; A82-V87 HydrophobicContact CB-CG2 3.45Å; A82-V87 VanDerWaalsContact CB-CG2 3.45Å | ||
| 83 | K | 60.9 | Low | 66 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 58% | 0.578 | 58% | 0.582 | S | S | * | * | trans | -47.5 | 135.3 | 165.3 | -69.6 | -172.3 | 176.6 | -172.5 | 0 | 106.5 | R81 E85 N86 V87 | R81-K83 PolarHBondContact O-N 3.25Å; K83-E85 PolarHBondContact O-N 3.31Å; K83-N86 HydrophobicContact CB-CB 4.48Å; K83-N86 WeakPolarHBondContact O-CA 3.31Å; K83-N86 WeakPolarHBondContact O-CB 3.5Å; K83-N86 PolarHBondContact O-N 3.05Å; K83-V87 PolarHBondContact O-N 2.74Å | ||
| 84 | P | 60.9 | Low | 65.8 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 74% | 0.74 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -52.8 | -35.3 | -177.7 | 19.2 | -31.1 | 0 | 0 | 0 | 111.4 | N86 V87 E88 | P84-N86 PolarHBondContact O-N 3.24Å; P84-V87 PolarHBondContact O-N 3.43Å; P84-E88 PolarHBondContact O-N 3.44Å |
| 85 | E | 62.2 | Low | 65.3 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -55.2 | -41.3 | 171.2 | -166.2 | -162.8 | 152.8 | 0 | 0 | 114.1 | K83 K89 | K83-E85 PolarHBondContact O-N 3.31Å; E85-K89 VanDerWaalsContact O-CB 3.27Å; E85-K89 WeakPolarHBondContact O-CB 3.37Å; E85-K89 PolarHBondContact O-N 3.11Å |
| 86 | N | 65.6 | Low | 64.6 | Low | 86 Ų | 86 | 124.5 Ų | 124.5 | 46% | 0.46 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75 | -29.5 | 179 | -80.8 | -31.8 | 0 | 0 | 0 | 112.6 | K83 P84 R90 | K83-N86 HydrophobicContact CB-CB 4.48Å; K83-N86 WeakPolarHBondContact O-CA 3.31Å; K83-N86 WeakPolarHBondContact O-CB 3.5Å; K83-N86 PolarHBondContact O-N 3.05Å; P84-N86 PolarHBondContact O-N 3.24Å; N86-R90 WeakPolarHBondContact O-CB 3.46Å; N86-R90 PolarHBondContact O-N 3.26Å; N86-R90 VanDerWaalsContact O-N 3.14Å |
| 87 | V | 69.4 | Low | 63.8 | Low | 58 Ų | 58 | 120 Ų | 120 | 35% | 0.352 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.8 | -48.1 | 174.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | A82 K83 P84 K89 R90 Q91 | A82-V87 HydrophobicContact CB-CG2 3.45Å; A82-V87 VanDerWaalsContact CB-CG2 3.45Å; K83-V87 PolarHBondContact O-N 2.74Å; P84-V87 PolarHBondContact O-N 3.43Å; V87-K89 PolarHBondContact O-N 3.29Å; V87-R90 WeakPolarHBondContact O-CA 3.43Å; V87-R90 WeakPolarHBondContact O-CB 3.43Å; V87-R90 PolarHBondContact O-N 3.35Å; V87-R90 VanDerWaalsContact O-N 3.08Å; V87-Q91 HydrophobicContact CG1-CG 4.49Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.44Å |
| 88 | E | 71.4 | Confident | 63.7 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 179.7 | -165.3 | -175 | 171 | 0 | 0 | 111.7 | P84 R90 Q91 R92 | P84-E88 PolarHBondContact O-N 3.44Å; E88-R90 PolarHBondContact O-N 3.37Å; E88-Q91 PolarHBondContact O-N 2.94Å; E88-R92 WeakPolarHBondContact O-CB 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NE 3.14Å; E88-R92 PolarHBondContact OE1-NE 2.78Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å |
| 89 | K | 70.8 | Confident | 64.3 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.9 | -29.7 | 174.8 | -158.8 | 171.9 | -164.8 | 166.1 | 0 | 112.3 | E85 V87 K93 | E85-K89 VanDerWaalsContact O-CB 3.27Å; E85-K89 WeakPolarHBondContact O-CB 3.37Å; E85-K89 PolarHBondContact O-N 3.11Å; V87-K89 PolarHBondContact O-N 3.29Å; K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CD 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.09Å; K89-K93 PolarHBondContact O-N 3.29Å |
| 90 | R | 70.5 | Confident | 64.8 | Low | 202 Ų | 202 | 116.2 Ų | 116.2 | 76% | 0.762 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.5 | -39 | 175.3 | -166.2 | 173.8 | 178.5 | -177.4 | -2.7 | 111.5 | N86 V87 E88 K93 A94 | N86-R90 WeakPolarHBondContact O-CB 3.46Å; N86-R90 PolarHBondContact O-N 3.26Å; N86-R90 VanDerWaalsContact O-N 3.14Å; V87-R90 WeakPolarHBondContact O-CA 3.43Å; V87-R90 WeakPolarHBondContact O-CB 3.43Å; V87-R90 PolarHBondContact O-N 3.35Å; V87-R90 VanDerWaalsContact O-N 3.08Å; E88-R90 PolarHBondContact O-N 3.37Å; R90-K93 PolarHBondContact O-N 3.1Å; R90-A94 PolarHBondContact O-N 3.24Å |
| 91 | Q | 70.2 | Confident | 65.7 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -47.1 | 174 | -71.4 | 176.5 | -2.2 | 0 | 0 | 111.9 | V87 E88 K93 A94 M95 | V87-Q91 HydrophobicContact CG1-CG 4.49Å; V87-Q91 WeakPolarHBondContact O-CG 3.41Å; V87-Q91 PolarHBondContact O-N 3.44Å; E88-Q91 PolarHBondContact O-N 2.94Å; Q91-K93 VanDerWaalsContact C-N 3.25Å; Q91-K93 PolarHBondContact O-N 2.97Å; Q91-A94 WeakPolarHBondContact O-CB 3.24Å; Q91-A94 PolarHBondContact O-N 3.1Å; Q91-M95 PolarHBondContact O-N 3.45Å |
| 92 | R | 72.4 | Confident | 66.6 | Low | 171 Ų | 171 | 114.3 Ų | 114.3 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.9 | -35.1 | 174.4 | -70.6 | 177.8 | -175.7 | -154.1 | 3 | 112.4 | E88 K96 | E88-R92 WeakPolarHBondContact O-CB 3.24Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.99Å; E88-R92 IonicContact OE1-CZ 3.25Å; E88-R92 VanDerWaalsContact OE1-CZ 3.25Å; E88-R92 IonicContact OE1-NE 3.14Å; E88-R92 PolarHBondContact OE1-NE 2.78Å; E88-R92 VanDerWaalsContact OE1-NE 3.14Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.09Å; R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.14Å; R92-K96 VanDerWaalsContact O-N 3.17Å |
| 93 | K | 70.9 | Confident | 67.4 | Low | 149 Ų | 149 | 119.7 Ų | 119.7 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.1 | -35.2 | 174 | -77.8 | 175.8 | -179.5 | -177.1 | 0 | 112.9 | K89 R90 Q91 | K89-K93 WeakPolarHBondContact O-CB 3.34Å; K89-K93 WeakPolarHBondContact O-CD 3.35Å; K89-K93 WeakPolarHBondContact O-CG 3.09Å; K89-K93 PolarHBondContact O-N 3.29Å; R90-K93 PolarHBondContact O-N 3.1Å; Q91-K93 VanDerWaalsContact C-N 3.25Å; Q91-K93 PolarHBondContact O-N 2.97Å |
| 94 | A | 69.6 | Low | 67.9 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R90 Q91 | R90-A94 PolarHBondContact O-N 3.24Å; Q91-A94 WeakPolarHBondContact O-CB 3.24Å; Q91-A94 PolarHBondContact O-N 3.1Å |
| 95 | M | 66.2 | Low | 68.6 | Low | 156 Ų | 156 | 117.7 Ų | 117.7 | 77% | 0.768 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.7 | -25.3 | 177.6 | -116.8 | 174.4 | 177.9 | 0 | 0 | 113.9 | Q91 G97 V98 | Q91-M95 PolarHBondContact O-N 3.45Å; M95-G97 PolarHBondContact O-N 3Å; M95-V98 PolarHBondContact O-N 2.92Å |
| 96 | K | 65.1 | Low | 69.3 | Low | 192 Ų | 192 | 120.2 Ų | 120.2 | 84% | 0.835 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -4.3 | -179.7 | -166.6 | 165.9 | -176.8 | 171.8 | 0 | 114.6 | R92 | R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.14Å; R92-K96 VanDerWaalsContact O-N 3.17Å |
| 97 | G | 60.4 | Low | 69.6 | Low | 63 Ų | 63 | 120.9 Ų | 120.9 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 2.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M95 A99 | M95-G97 PolarHBondContact O-N 3Å; G97-A99 PolarHBondContact O-N 3.35Å; G97-A99 VanDerWaalsContact O-N 3.14Å |
| 98 | V | 63.8 | Low | 69.7 | Low | 104 Ų | 104 | 124.8 Ų | 124.8 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | trans | -67 | 115.9 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | M95 D100 | M95-V98 PolarHBondContact O-N 2.92Å; V98-D100 PolarHBondContact O-N 3.08Å | ||
| 99 | A | 62.2 | Low | 69.9 | Low | 65 Ų | 65 | 129.3 Ų | 129.3 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | trans | -81.5 | 100.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109 | G97 P101 I104 | G97-A99 PolarHBondContact O-N 3.35Å; G97-A99 VanDerWaalsContact O-N 3.14Å; A99-P101 WeakPolarHBondContact O-CD 3.11Å; A99-I104 HydrophobicContact CB-CD1 3.76Å | ||
| 100 | D | 64.5 | Low | 69.8 | Low | 101 Ų | 101 | 131.1 Ų | 131.1 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | trans | -58.7 | 117.6 | 172.8 | -74.8 | -42.6 | 0 | 0 | 0 | 109.6 | V98 E102 R103 I104 | V98-D100 PolarHBondContact O-N 3.08Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.65Å; D100-R103 HydrophobicContact CB-CB 3.92Å; D100-R103 WeakPolarHBondContact O-CB 3.41Å; D100-R103 PolarHBondContact O-N 2.98Å; D100-I104 PolarHBondContact O-N 3.02Å | ||
| 101 | P | 73.4 | Confident | 69.4 | Low | 84 Ų | 84 | 129.1 Ų | 129.1 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.9 | -37.3 | -174.8 | 23.3 | -32.3 | 0 | 0 | 0 | 111.5 | A99 R103 I104 E105 | A99-P101 WeakPolarHBondContact O-CD 3.11Å; P101-R103 VanDerWaalsContact C-N 3.28Å; P101-R103 PolarHBondContact O-N 2.95Å; P101-I104 PolarHBondContact O-N 2.77Å; P101-E105 PolarHBondContact O-N 3.49Å |
| 102 | E | 74.8 | Confident | 68.9 | Low | 132 Ų | 132 | 128.4 Ų | 128.4 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.9 | -33.7 | 176.2 | -61 | -170.6 | 169.3 | 0 | 0 | 112.9 | D100 R106 | D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.65Å; E102-R106 WeakPolarHBondContact O-CG 2.89Å; E102-R106 PolarHBondContact O-N 2.73Å |
| 103 | R | 69.9 | Low | 68 | Low | 178 Ų | 178 | 127.4 Ų | 127.4 | 67% | 0.672 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.8 | -38.6 | 178.1 | -166.4 | 179.2 | -178.5 | -162.7 | 2.1 | 110.6 | D100 P101 L107 | D100-R103 HydrophobicContact CB-CB 3.92Å; D100-R103 WeakPolarHBondContact O-CB 3.41Å; D100-R103 PolarHBondContact O-N 2.98Å; P101-R103 VanDerWaalsContact C-N 3.28Å; P101-R103 PolarHBondContact O-N 2.95Å; R103-L107 HydrophobicContact CG-CD1 3.96Å; R103-L107 WeakPolarHBondContact O-CD1 3.47Å; R103-L107 PolarHBondContact O-N 2.75Å; R103-L107 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 70.9 | Confident | 66.8 | Low | 74 Ų | 74 | 127.3 Ų | 127.3 | 38% | 0.379 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.8 | -42.6 | 175.9 | -65.9 | 164.8 | 0 | 0 | 0 | 110.7 | A99 D100 P101 L107 K108 | A99-I104 HydrophobicContact CB-CD1 3.76Å; D100-I104 PolarHBondContact O-N 3.02Å; P101-I104 PolarHBondContact O-N 2.77Å; I104-L107 PolarHBondContact O-N 2.66Å; I104-K108 HydrophobicContact CG2-CD 4.24Å; I104-K108 HydrophobicContact CG2-CG 4.46Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.21Å |
| 105 | E | 76.4 | Confident | 65.8 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.7 | -41.2 | 179.2 | -73.8 | 177.3 | -177.6 | 0 | 0 | 112.6 | P101 L107 K108 K109 | P101-E105 PolarHBondContact O-N 3.49Å; E105-L107 PolarHBondContact O-N 3.16Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K109 WeakPolarHBondContact O-CB 3.39Å; E105-K109 PolarHBondContact O-N 3.17Å |
| 106 | R | 77.9 | Confident | 64.7 | Low | 176 Ų | 176 | 127.2 Ų | 127.2 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59 | -45.4 | 171.6 | -74.2 | -179.8 | -166.3 | -177.1 | 7.3 | 111.7 | E102 K109 L110 | E102-R106 WeakPolarHBondContact O-CG 2.89Å; E102-R106 PolarHBondContact O-N 2.73Å; R106-K109 PolarHBondContact O-N 2.76Å; R106-L110 WeakPolarHBondContact O-CD1 3.43Å; R106-L110 PolarHBondContact O-N 2.76Å; R106-L110 VanDerWaalsContact O-N 3.11Å |
| 107 | L | 70.4 | Confident | 63.5 | Low | 99 Ų | 99 | 123.3 Ų | 123.3 | 52% | 0.518 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65 | -39.1 | 177.2 | -92.6 | 106.6 | 0 | 0 | 0 | 112.8 | R103 I104 E105 K109 L110 M111 | R103-L107 HydrophobicContact CG-CD1 3.96Å; R103-L107 WeakPolarHBondContact O-CD1 3.47Å; R103-L107 PolarHBondContact O-N 2.75Å; R103-L107 VanDerWaalsContact O-N 3.1Å; I104-L107 PolarHBondContact O-N 2.66Å; E105-L107 PolarHBondContact O-N 3.16Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-L110 PolarHBondContact O-N 3.25Å; L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 2.76Å |
| 108 | K | 71.8 | Confident | 62.8 | Low | 141 Ų | 141 | 127.9 Ų | 127.9 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 174.9 | -78.4 | 179.4 | 178.2 | 178.7 | 0 | 112 | I104 E105 L110 M111 | I104-K108 HydrophobicContact CG2-CD 4.24Å; I104-K108 HydrophobicContact CG2-CG 4.46Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 3.21Å; E105-K108 PolarHBondContact O-N 3.06Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.46Å; K108-M111 PolarHBondContact O-N 2.91Å |
| 109 | K | 76.5 | Confident | 61.7 | Low | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.3 | -30.4 | 177.8 | -165 | 172.1 | -175.7 | 178.2 | 0 | 112.8 | E105 R106 L107 | E105-K109 WeakPolarHBondContact O-CB 3.39Å; E105-K109 PolarHBondContact O-N 3.17Å; R106-K109 PolarHBondContact O-N 2.76Å; L107-K109 VanDerWaalsContact C-N 3.34Å |
| 110 | L | 67.9 | Low | 60.3 | Low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.1 | -19.4 | 174.7 | -92.2 | 140 | 0 | 0 | 0 | 113.9 | R106 L107 K108 | R106-L110 WeakPolarHBondContact O-CD1 3.43Å; R106-L110 PolarHBondContact O-N 2.76Å; R106-L110 VanDerWaalsContact O-N 3.11Å; L107-L110 PolarHBondContact O-N 3.25Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 3.46Å |
| 111 | M | 62.1 | Low | 58.8 | Low | 160 Ų | 160 | 135.3 Ų | 135.3 | 79% | 0.788 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 1.1 | -176.6 | -80.1 | -177.3 | 68.4 | 0 | 0 | 114.9 | L107 K108 | L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 2.76Å; K108-M111 PolarHBondContact O-N 2.91Å |
| 112 | V | 59.3 | Low | 57.1 | Low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | trans | -111.7 | 87.1 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 113 | N | 53.1 | Low | 55.5 | Low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 176.9 | 88 | 147 | -85.1 | -13.2 | 0 | 0 | 0 | 108 | ||||
| 114 | N | 47.2 | Very low | 53.8 | Low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -155.5 | 98 | 150.3 | -138.9 | 26 | 0 | 0 | 0 | 109.6 | V116 | N114-V116 PolarHBondContact O-N 3.3Š| ||
| 115 | P | 48.2 | Very low | 52.5 | Low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -64.9 | 127.2 | 151.9 | 29.2 | -29.1 | 0 | 0 | 0 | 107.2 | S117 | P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 116 | V | 43.3 | Very low | 50.6 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -61.8 | 114 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | N114 | N114-V116 PolarHBondContact O-N 3.3Š| ||
| 117 | S | 39.3 | Very low | 49 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -120.2 | 128.6 | 159.3 | -70.1 | 0 | 0 | 0 | 0 | 107.8 | P115 | P115-S117 PolarHBondContact O-N 3.02Å; P115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 118 | E | 46.7 | Very low | 47.9 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -59.6 | 163.1 | 178.4 | -47 | -83 | 137.4 | 0 | 0 | 111.7 | ||||
| 119 | E | 39.4 | Very low | 47 | Very low | 194 Ų | 194 | 129.9 Ų | 129.9 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | 91 | 126.3 | 170 | -51.4 | -77.2 | 144.3 | 0 | 0 | 118 | ||||
| 120 | G | 32.9 | Very low | 45.7 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 109.9 | 89.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 121 | D | 34.1 | Very low | 45.2 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 24.2 | 143 | 142.3 | -156.8 | 43.7 | 0 | 0 | 0 | 124.8 | ||||
| 122 | S | 36.7 | Very low | 45.1 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | trans | 76.6 | 107.2 | 151.1 | -80.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 123 | S | 42.3 | Very low | 45.3 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | 77.1 | 110.4 | 128.3 | 75.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 124 | G | 33.3 | Very low | 45.7 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 164.3 | 85 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 125 | G | 43.3 | Very low | 46.7 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 38.2 | 91 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 126 | A | 37.9 | Very low | 47.6 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | 179.3 | 98.8 | 129.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | P128 | A126-P128 WeakPolarHBondContact O-CD 3.49Š| |||
| 127 | A | 43.6 | Very low | 48.8 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -51.7 | 117.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | R129 | A127-R129 PolarHBondContact O-N 3.47Š| ||
| 128 | P | 46.6 | Very low | 50.5 | Low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -62.9 | 113.5 | 178.9 | 24.6 | -29.8 | 0 | 0 | 0 | 104.9 | A126 T130 | A126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-T130 WeakPolarHBondContact O-CA 3.33Å; P128-T130 PolarHBondContact O-N 2.95Å | ||
| 129 | R | 52.5 | Low | 52.1 | Low | 236 Ų | 236 | 141.8 Ų | 141.8 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -43.7 | 108.1 | 173.9 | -64.5 | 175.1 | 95.5 | 135.7 | 5.5 | 105.5 | A127 R131 | A127-R129 PolarHBondContact O-N 3.47Å; R129-R131 PolarHBondContact O-N 3.02Å | ||
| 130 | T | 49.5 | Very low | 54.1 | Low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -44.5 | 107.2 | -171.4 | -51.1 | 0 | 0 | 0 | 0 | 106.1 | P128 R132 | P128-T130 WeakPolarHBondContact O-CA 3.33Å; P128-T130 PolarHBondContact O-N 2.95Å; T130-R132 VanDerWaalsContact C-N 3.32Å; T130-R132 PolarHBondContact O-N 3.33Å | ||
| 131 | R | 57.2 | Low | 56.3 | Low | 234 Ų | 234 | 137.1 Ų | 137.1 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -48.8 | 111.1 | 176.2 | -76 | -177.6 | 179.9 | -177.6 | 0.8 | 102.9 | R129 R133 | R129-R131 PolarHBondContact O-N 3.02Å; R131-R133 WeakPolarHBondContact O-CA 3.44Å; R131-R133 PolarHBondContact O-N 2.89Å | ||
| 132 | R | 60.5 | Low | 58.5 | Low | 233 Ų | 233 | 133.2 Ų | 133.2 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -53 | 102.6 | -175.3 | -175.8 | -178.1 | -171.6 | -173.2 | 2.2 | 103.4 | T130 Q134 | T130-R132 VanDerWaalsContact C-N 3.32Å; T130-R132 PolarHBondContact O-N 3.33Å; R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 3.34Å | ||
| 133 | R | 62.8 | Low | 60.6 | Low | 219 Ų | 219 | 135 Ų | 135 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | -51 | 110.3 | -170.9 | -78.1 | -178.4 | 175.3 | 179.5 | -1.7 | 103.3 | R131 K135 | R131-R133 WeakPolarHBondContact O-CA 3.44Å; R131-R133 PolarHBondContact O-N 2.89Å; R133-K135 PolarHBondContact O-N 3.33Å | ||
| 134 | Q | 63.4 | Low | 62.3 | Low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | trans | -58.8 | 101.7 | -179.5 | -76.9 | -81.4 | 10.1 | 0 | 0 | 102.8 | R132 P136 | R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 3.34Å; Q134-P136 VanDerWaalsContact O-N 3.1Å | ||
| 135 | K | 67.5 | Low | 64.6 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 73% | 0.726 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 124.2 | -174.3 | -72.3 | 175 | 178.8 | 179 | 0 | 103.9 | R133 L137 | R133-K135 PolarHBondContact O-N 3.33Å; K135-L137 PolarHBondContact O-N 3.1Å |
| 136 | P | 67.6 | Low | 66.4 | Low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.7 | -179 | 20.4 | -31.3 | 0 | 0 | 0 | 108 | Q134 K138 | Q134-P136 VanDerWaalsContact O-N 3.1Å; P136-K138 WeakPolarHBondContact O-CG 3.05Å; P136-K138 PolarHBondContact O-N 3.11Å |
| 137 | L | 68.4 | Low | 68.1 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 73% | 0.733 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 117.2 | -177.6 | -68.3 | 169.8 | 0 | 0 | 0 | 108 | K135 N139 | K135-L137 PolarHBondContact O-N 3.1Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.33Å |
| 138 | K | 73.4 | Confident | 69.5 | Low | 145 Ų | 145 | 131.6 Ų | 131.6 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | trans | -82.2 | 75.1 | -172.8 | -62.9 | 179.7 | 179.3 | -174.7 | 0 | 109.6 | P136 | P136-K138 WeakPolarHBondContact O-CG 3.05Å; P136-K138 PolarHBondContact O-N 3.11Å | ||
| 139 | N | 82.1 | Confident | 71 | Confident | 94 Ų | 94 | 130.5 Ų | 130.5 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -84.2 | 158.9 | 177.5 | -64 | -16 | 0 | 0 | 0 | 111.3 | L137 L141 T142 R143 | L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.33Å; N139-L141 PolarHBondContact O-N 3.36Å; N139-T142 HydrophobicContact CB-CG2 4.38Å; N139-T142 PolarHBondContact N-OG1 3.22Å; N139-T142 PolarHBondContact O-N 3.14Å; N139-T142 PolarHBondContact O-OG1 3.06Å; N139-R143 PolarHBondContact O-N 3.06Å; N139-R143 VanDerWaalsContact O-N 3.1Å | ||
| 140 | V | 80.6 | Confident | 72.4 | Confident | 60 Ų | 60 | 121.8 Ų | 121.8 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -53.4 | -43.3 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | T142 R143 M144 F186 | V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 3.32Å; V140-R143 PolarHBondContact O-N 3.19Å; V140-M144 HydrophobicContact CG1-CG 4.42Å; V140-M144 HydrophobicContact CG1-SD 4.48Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 3.24Å; V140-F186 WeakPolarHBondContact CG1-O 3.3Å |
| 141 | L | 79.1 | Confident | 74 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.3 | -37.5 | 176.1 | -61.5 | 178.6 | 0 | 0 | 0 | 113.3 | N139 R143 M144 P145 V185 | N139-L141 PolarHBondContact O-N 3.36Å; L141-R143 VanDerWaalsContact C-N 3.3Å; L141-M144 HydrophobicContact CD2-SD 4.16Å; L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.42Å; L141-V185 HydrophobicContact CD2-CG1 3.41Å; L141-V185 VanDerWaalsContact CD2-CG1 3.41Å |
| 142 | T | 80.2 | Confident | 75.2 | Confident | 72 Ų | 72 | 109.7 Ų | 109.7 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77.1 | -19.6 | 177.7 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | N139 V140 | N139-T142 HydrophobicContact CB-CG2 4.38Å; N139-T142 PolarHBondContact N-OG1 3.22Å; N139-T142 PolarHBondContact O-N 3.14Å; N139-T142 PolarHBondContact O-OG1 3.06Å; V140-T142 VanDerWaalsContact C-N 3.29Å; V140-T142 PolarHBondContact O-N 3.32Å |
| 143 | R | 80 | Confident | 76.3 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -90.9 | -26.8 | 179 | -71.5 | -171.9 | 173.6 | -140.8 | 4 | 113.3 | N139 V140 L141 L146 | N139-R143 PolarHBondContact O-N 3.06Å; N139-R143 VanDerWaalsContact O-N 3.1Å; V140-R143 PolarHBondContact O-N 3.19Å; L141-R143 VanDerWaalsContact C-N 3.3Å; R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.91Å |
| 144 | M | 79.7 | Confident | 77.5 | Confident | 14 Ų | 14 | 93.5 Ų | 93.5 | 7% | 0.069 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -51.9 | -44.9 | 179.6 | -84.5 | 173.8 | 62.3 | 0 | 0 | 113.8 | V140 L141 L146 H156 V159 V185 F186 | V140-M144 HydrophobicContact CG1-CG 4.42Å; V140-M144 HydrophobicContact CG1-SD 4.48Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 3.24Å; L141-M144 HydrophobicContact CD2-SD 4.16Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.04Å; M144-H156 VanDerWaalsContact C-CD2 3.46Å; M144-H156 PolarHBondContact O-CD2 3.3Å; M144-H156 VanDerWaalsContact O-CD2 3.25Å; M144-V159 HydrophobicContact CE-CB 4.31Å; M144-V159 HydrophobicContact CE-CG1 3.81Å; M144-V159 HydrophobicContact CE-CG2 4.23Å; M144-V185 HydrophobicContact SD-CB 3.91Å; M144-V185 HydrophobicContact SD-CG1 3.88Å; M144-F186 HydrophobicContact CB-CE1 4.22Å; M144-F186 HydrophobicContact CB-CZ 4.17Å; M144-F186 HydrophobicContact CE-CD1 3.97Å; M144-F186 HydrophobicContact CE-CE1 3.79Å; M144-F186 HydrophobicContact CG-CD1 4.11Å; M144-F186 HydrophobicContact CG-CE1 3.77Å; M144-F186 HydrophobicContact CG-CE2 4.38Å; M144-F186 HydrophobicContact CG-CZ 3.91Å; M144-F186 HydrophobicContact SD-CD1 4.43Å; M144-F186 HydrophobicContact SD-CE1 4.44Å |
| 145 | P | 80.6 | Confident | 78.5 | Confident | 56 Ų | 56 | 84.9 Ų | 84.9 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -72.4 | -20.1 | 177.8 | -18.8 | 33 | 0 | 0 | 0 | 113.9 | L141 C147 Q148 | L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.42Å; P145-C147 PolarHBondContact O-N 2.98Å; P145-Q148 WeakPolarHBondContact O-CG 3.37Å |
| 146 | L | 80.3 | Confident | 79.5 | Confident | 139 Ų | 139 | 77.8 Ų | 77.8 | 73% | 0.728 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -77.6 | -5.7 | -177.3 | -57 | 177 | 0 | 0 | 0 | 112.7 | R143 M144 Q148 | R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.91Å; M144-L146 VanDerWaalsContact C-N 3.29Å; M144-L146 PolarHBondContact O-N 3.04Å; L146-Q148 VanDerWaalsContact C-N 3.32Å |
| 147 | C | 75 | Confident | 80.4 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 22% | 0.216 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -89.3 | 12.9 | 179.7 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | P145 G149 S150 L152 G153 | P145-C147 PolarHBondContact O-N 2.98Å; C147-G149 PolarHBondContact O-N 3.27Å; C147-S150 PolarHBondContact O-N 3.39Å; C147-L152 HydrophobicContact CB-CB 3.9Å; C147-G153 WeakPolarHBondContact O-CA 3.45Å; C147-G153 PolarHBondContact O-N 3.39Å; C147-G153 VanDerWaalsContact O-N 3.11Å |
| 148 | Q | 71.8 | Confident | 81.3 | Confident | 155 Ų | 155 | 71.6 Ų | 71.6 | 72% | 0.724 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131.3 | 175.1 | -75 | 175.3 | -25.4 | 0 | 0 | 111 | P145 L146 | P145-Q148 WeakPolarHBondContact O-CG 3.37Å; L146-Q148 VanDerWaalsContact C-N 3.32Å |
| 149 | G | 78.3 | Confident | 82 | Confident | 92 Ų | 92 | 65 Ų | 65 | 95% | 0.948 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C147 | C147-G149 PolarHBondContact O-N 3.27Š|
| 150 | S | 82.6 | Confident | 82.2 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -106.4 | 161.6 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | C147 L152 G153 E154 | C147-S150 PolarHBondContact O-N 3.39Å; S150-L152 PolarHBondContact O-N 3.17Å; S150-G153 WeakPolarHBondContact O-CA 3.35Å; S150-G153 PolarHBondContact O-N 3.27Å; S150-E154 PolarHBondContact O-N 2.99Å |
| 151 | P | 82.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -50.4 | -26.5 | 165.1 | 18.5 | -34.5 | 0 | 0 | 0 | 114 | G153 L155 W190 | P151-G153 VanDerWaalsContact C-N 3.33Å; P151-L155 PolarHBondContact O-N 2.99Å; P151-W190 HydrophobicContact CB-CH2 4.29Å |
| 152 | L | 82.6 | Confident | 82.9 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.9 | -24.1 | 171.6 | -68.3 | 174.3 | 0 | 0 | 0 | 113.5 | C147 S150 L155 H156 F186 W190 | C147-L152 HydrophobicContact CB-CB 3.9Å; S150-L152 PolarHBondContact O-N 3.17Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L152-L155 WeakPolarHBondContact O-CB 3.32Å; L152-L155 PolarHBondContact O-N 3.08Å; L152-H156 PolarHBondContact O-N 2.87Å; L152-F186 HydrophobicContact CB-CE2 4.12Å; L152-F186 HydrophobicContact CD2-CD2 4.23Å; L152-F186 HydrophobicContact CD2-CE2 4.42Å; L152-F186 WeakPolarHBondContact O-CZ 3.44Å; L152-W190 HydrophobicContact CD2-CD2 3.95Å; L152-W190 HydrophobicContact CD2-CE3 4.15Å; L152-W190 HydrophobicContact CD2-CG 4.5Å; L152-W190 HydrophobicContact CD2-CH2 4.28Å; L152-W190 HydrophobicContact CD2-CZ2 4.08Å; L152-W190 HydrophobicContact CD2-CZ3 4.3Å; L152-W190 HydrophobicContact CG-CZ2 4.47Å |
| 153 | G | 84.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C147 S150 P151 L155 H156 R157 | C147-G153 WeakPolarHBondContact O-CA 3.45Å; C147-G153 PolarHBondContact O-N 3.39Å; C147-G153 VanDerWaalsContact O-N 3.11Å; S150-G153 WeakPolarHBondContact O-CA 3.35Å; S150-G153 PolarHBondContact O-N 3.27Å; P151-G153 VanDerWaalsContact C-N 3.33Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.45Å; G153-H156 WeakPolarHBondContact O-CA 3.49Å; G153-H156 VanDerWaalsContact O-CB 3.24Å; G153-H156 WeakPolarHBondContact O-CB 3.21Å; G153-H156 PolarHBondContact O-N 2.83Å; G153-H156 VanDerWaalsContact O-N 3.1Å; G153-R157 PolarHBondContact O-N 3.36Å |
| 154 | E | 86.3 | Confident | 83.4 | Confident | 101 Ų | 101 | 72 Ų | 72 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 169.9 | -74.8 | -68.7 | 125.7 | 0 | 0 | 111 | S150 H156 R157 C158 | S150-E154 PolarHBondContact O-N 2.99Å; E154-H156 VanDerWaalsContact C-N 3.27Å; E154-H156 PolarHBondContact O-N 3.23Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.34Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.07Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; E154-R157 IonicContact OE2-CZ 3.72Å; E154-R157 IonicContact OE2-NH1 2.82Å; E154-R157 PolarHBondContact OE2-NH1 2.85Å; E154-R157 IonicContact OE2-NH2 3.82Å; E154-R157 PolarHBondContact OE2-NH2 3.06Å; E154-C158 PolarHBondContact O-N 3.23Å; E154-C158 VanDerWaalsContact O-N 3.09Å; E154-C158 PolarHBondContact O-SG 3.17Å |
| 155 | L | 85.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -34.1 | 172.3 | -170.4 | 61.4 | 0 | 0 | 0 | 111.9 | P151 L152 G153 C158 V159 V183 F186 M192 L221 | P151-L155 PolarHBondContact O-N 2.99Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å; L152-L155 WeakPolarHBondContact O-CB 3.32Å; L152-L155 PolarHBondContact O-N 3.08Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-L155 PolarHBondContact O-N 3.45Å; L155-C158 WeakPolarHBondContact O-CB 3.45Å; L155-C158 PolarHBondContact O-N 2.77Å; L155-V159 WeakPolarHBondContact O-CG2 3.33Å; L155-V159 PolarHBondContact O-N 3.35Å; L155-V159 VanDerWaalsContact O-N 3.08Å; L155-V183 HydrophobicContact CD1-CG2 4.35Å; L155-F186 HydrophobicContact CD2-CB 3.78Å; L155-F186 HydrophobicContact CD2-CD1 4.21Å; L155-F186 HydrophobicContact CD2-CD2 4.09Å; L155-F186 HydrophobicContact CD2-CG 3.75Å; L155-F186 HydrophobicContact CG-CB 4.5Å; L155-F186 HydrophobicContact CG-CD1 4.12Å; L155-F186 HydrophobicContact CG-CG 4.18Å; L155-M192 HydrophobicContact CD2-CE 4.24Å; L155-L221 HydrophobicContact CD1-CD2 3.86Å |
| 156 | H | 87.6 | Confident | 83.8 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 172.6 | -172.3 | -104.5 | 0 | 0 | 0 | 112.6 | M144 L152 G153 E154 C158 V159 Q160 F186 | M144-H156 VanDerWaalsContact C-CD2 3.46Å; M144-H156 PolarHBondContact O-CD2 3.3Å; M144-H156 VanDerWaalsContact O-CD2 3.25Å; L152-H156 PolarHBondContact O-N 2.87Å; G153-H156 WeakPolarHBondContact O-CA 3.49Å; G153-H156 VanDerWaalsContact O-CB 3.24Å; G153-H156 WeakPolarHBondContact O-CB 3.21Å; G153-H156 PolarHBondContact O-N 2.83Å; G153-H156 VanDerWaalsContact O-N 3.1Å; E154-H156 VanDerWaalsContact C-N 3.27Å; E154-H156 PolarHBondContact O-N 3.23Å; H156-C158 VanDerWaalsContact C-N 3.31Å; H156-C158 PolarHBondContact O-N 3.14Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 3.03Å; H156-V159 VanDerWaalsContact O-N 3.1Å; H156-Q160 PolarHBondContact CE1-NE2 2.95Å; H156-Q160 PolarHBondContact ND1-OE1 3.47Å; H156-Q160 PolarHBondContact O-N 3.27Å; H156-F186 HydrophobicContact CB-CE1 3.89Å; H156-F186 HydrophobicContact CB-CZ 3.84Å; H156-F186 AromaticContact CD2-CE1 3.98Å |
| 157 | R | 87.3 | Confident | 84 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 173 | -169.2 | 177 | 76.5 | -129 | -11.5 | 110.9 | G153 E154 V159 Q160 E161 | G153-R157 PolarHBondContact O-N 3.36Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.34Å; E154-R157 IonicContact OE1-CZ 2.67Å; E154-R157 IonicContact OE1-NH1 3.07Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; E154-R157 IonicContact OE2-CZ 3.72Å; E154-R157 IonicContact OE2-NH1 2.82Å; E154-R157 PolarHBondContact OE2-NH1 2.85Å; E154-R157 IonicContact OE2-NH2 3.82Å; E154-R157 PolarHBondContact OE2-NH2 3.06Å; R157-V159 PolarHBondContact O-N 3.32Å; R157-Q160 PolarHBondContact O-N 3.23Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; R157-E161 WeakPolarHBondContact CD-OE1 3.5Å; R157-E161 VanDerWaalsContact CG-CD 3.44Å; R157-E161 HydrophobicContact CG-CG 4.24Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact NE-OE2 2.92Å; R157-E161 WeakPolarHBondContact O-CB 3.43Å; R157-E161 PolarHBondContact O-N 3.49Å |
| 158 | C | 87.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -33.5 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | E154 L155 H156 R162 I163 V165 | E154-C158 PolarHBondContact O-N 3.23Å; E154-C158 VanDerWaalsContact O-N 3.09Å; E154-C158 PolarHBondContact O-SG 3.17Å; L155-C158 WeakPolarHBondContact O-CB 3.45Å; L155-C158 PolarHBondContact O-N 2.77Å; H156-C158 VanDerWaalsContact C-N 3.31Å; H156-C158 PolarHBondContact O-N 3.14Å; C158-R162 WeakPolarHBondContact O-CA 3.33Å; C158-R162 PolarHBondContact O-N 3.03Å; C158-I163 HydrophobicContact CB-CB 4.23Å; C158-I163 PolarHBondContact O-N 2.84Å; C158-V165 HydrophobicContact CB-CG2 3.81Å |
| 159 | V | 87.7 | Confident | 84.9 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 172.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | M144 L155 H156 R157 R162 V183 V184 F186 | M144-V159 HydrophobicContact CE-CB 4.31Å; M144-V159 HydrophobicContact CE-CG1 3.81Å; M144-V159 HydrophobicContact CE-CG2 4.23Å; L155-V159 WeakPolarHBondContact O-CG2 3.33Å; L155-V159 PolarHBondContact O-N 3.35Å; L155-V159 VanDerWaalsContact O-N 3.08Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 3.03Å; H156-V159 VanDerWaalsContact O-N 3.1Å; R157-V159 PolarHBondContact O-N 3.32Å; V159-R162 PolarHBondContact O-N 3.14Å; V159-R162 PolarHBondContact O-NH1 3.25Å; V159-V183 HydrophobicContact CG2-CB 3.93Å; V159-V183 HydrophobicContact CG2-CG1 3.73Å; V159-V184 VanDerWaalsContact CG1-O 3.29Å; V159-V184 WeakPolarHBondContact CG1-O 3.35Å; V159-F186 HydrophobicContact CG2-CD1 3.93Å; V159-F186 HydrophobicContact CG2-CE1 4.24Å |
| 160 | Q | 87.9 | Confident | 85.1 | Confident | 124 Ų | 124 | 68.4 Ų | 68.4 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.8 | -49.3 | -177.9 | -72.8 | 177.9 | -45.9 | 0 | 0 | 112 | H156 R157 R162 | H156-Q160 PolarHBondContact CE1-NE2 2.95Å; H156-Q160 PolarHBondContact ND1-OE1 3.47Å; H156-Q160 PolarHBondContact O-N 3.27Å; R157-Q160 PolarHBondContact O-N 3.23Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-R162 PolarHBondContact O-N 2.68Å |
| 161 | E | 88.3 | Confident | 84.9 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.4 | -178.4 | -67.8 | 171.2 | -171.4 | 0 | 0 | 112.7 | R157 I163 | R157-E161 WeakPolarHBondContact CD-OE1 3.5Å; R157-E161 VanDerWaalsContact CG-CD 3.44Å; R157-E161 HydrophobicContact CG-CG 4.24Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact NE-OE2 2.92Å; R157-E161 WeakPolarHBondContact O-CB 3.43Å; R157-E161 PolarHBondContact O-N 3.49Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 HydrophobicContact CB-CD1 3.9Å; E161-I163 HydrophobicContact CB-CG1 3.81Å; E161-I163 PolarHBondContact O-N 3.49Å; E161-I163 WeakPolarHBondContact OE2-CD1 3.42Å |
| 162 | R | 85 | Confident | 84.6 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 50.9 | -175.8 | -61.8 | -67.8 | -167.4 | -108.3 | -1.6 | 111.4 | C158 V159 Q160 F182 | C158-R162 WeakPolarHBondContact O-CA 3.33Å; C158-R162 PolarHBondContact O-N 3.03Å; V159-R162 PolarHBondContact O-N 3.14Å; V159-R162 PolarHBondContact O-NH1 3.25Å; Q160-R162 PolarHBondContact O-N 2.68Å; R162-F182 HydrophobicContact CB-CD1 4.38Å; R162-F182 WeakPolarHBondContact O-CD1 3.45Å; R162-F182 WeakPolarHBondContact O-CE1 3.46Å |
| 163 | I | 86.5 | Confident | 84.1 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | trans | -78.1 | 143 | 176.8 | -62 | 164.4 | 0 | 0 | 0 | 109.7 | C158 E161 V165 | C158-I163 HydrophobicContact CB-CB 4.23Å; C158-I163 PolarHBondContact O-N 2.84Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 HydrophobicContact CB-CD1 3.9Å; E161-I163 HydrophobicContact CB-CG1 3.81Å; E161-I163 PolarHBondContact O-N 3.49Å; E161-I163 WeakPolarHBondContact OE2-CD1 3.42Å; I163-V165 PolarHBondContact O-N 2.87Å | ||
| 164 | R | 84.1 | Confident | 83.7 | Confident | 159 Ų | 159 | 82.7 Ų | 82.7 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.9 | 171.9 | -72.6 | -177.6 | 168.6 | 160.8 | -3.5 | 110 | F182 | R164-F182 HydrophobicContact CB-CE1 4.47Å; R164-F182 HydrophobicContact CG-CD1 3.99Å; R164-F182 HydrophobicContact CG-CE1 3.39Å; R164-F182 HydrophobicContact CG-CE2 4.17Å; R164-F182 HydrophobicContact CG-CZ 3.5Å |
| 165 | V | 84.7 | Confident | 83.4 | Confident | 14 Ų | 14 | 83 Ų | 83 | 9% | 0.085 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.5 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | C158 I163 V167 S180 G181 V183 L221 | C158-V165 HydrophobicContact CB-CG2 3.81Å; I163-V165 PolarHBondContact O-N 2.87Å; V165-V167 HydrophobicContact CG1-CG2 4.1Å; V165-S180 WeakPolarHBondContact O-CA 3.23Å; V165-G181 PolarHBondContact N-O 3.34Å; V165-G181 PolarHBondContact O-N 3.19Å; V165-G181 VanDerWaalsContact O-N 3.09Å; V165-V183 HydrophobicContact CB-CG2 4.15Å; V165-V183 HydrophobicContact CG2-CG2 4.06Å; V165-L221 HydrophobicContact CG1-CD2 3.91Å |
| 166 | R | 84.1 | Confident | 83.1 | Confident | 162 Ų | 162 | 88.8 Ų | 88.8 | 61% | 0.611 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.5 | 169.8 | -66.8 | -175.4 | -179.6 | -172.7 | 1.6 | 109.4 | V178 | R166-V178 HydrophobicContact CB-CG1 4.28Å |
| 167 | V | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.3 | -179 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | V165 V178 C179 M192 I214 V219 | V165-V167 HydrophobicContact CG1-CG2 4.1Å; V167-V178 WeakPolarHBondContact O-CA 3.21Å; V167-C179 PolarHBondContact N-O 3.38Å; V167-C179 PolarHBondContact O-N 3.16Å; V167-M192 HydrophobicContact CG1-SD 4.37Å; V167-M192 HydrophobicContact CG2-SD 3.65Å; V167-I214 HydrophobicContact CB-CD1 4.24Å; V167-I214 HydrophobicContact CG1-CD1 3.88Å; V167-I214 HydrophobicContact CG2-CD1 4.46Å; V167-V219 HydrophobicContact CG1-CG1 3.93Å; V167-V219 HydrophobicContact CG1-CG2 4.45Å |
| 168 | H | 82.3 | Confident | 82.3 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 21% | 0.213 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.5 | 175.8 | -59.8 | 84.5 | 0 | 0 | 0 | 108.2 | L175 V178 C220 | H168-L175 HydrophobicContact CB-CD1 3.8Å; H168-V178 WeakPolarHBondContact CD2-CG2 3.18Å; H168-C220 HydrophobicContact CB-CB 4.19Å; H168-C220 WeakPolarHBondContact CB-O 3.44Å; H168-C220 PolarHBondContact N-O 3.37Å; H168-C220 VanDerWaalsContact N-O 3.09Å; H168-C220 PolarHBondContact O-N 3.46Å |
| 169 | I | 83.2 | Confident | 81.9 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.5 | 179.3 | -56.9 | 176.9 | 0 | 0 | 0 | 107.7 | L175 R176 G177 C179 I214 C218 | I169-L175 WeakPolarHBondContact O-CD1 3.49Å; I169-R176 HydrophobicContact CB-CB 4.1Å; I169-R176 HydrophobicContact CG2-CB 3.89Å; I169-R176 WeakPolarHBondContact O-CA 3.39Å; I169-R176 WeakPolarHBondContact O-CB 3.46Å; I169-R176 PolarHBondContact O-N 3.09Å; I169-G177 PolarHBondContact N-O 2.89Å; I169-G177 PolarHBondContact O-N 2.74Å; I169-C179 VanDerWaalsContact CD1-SG 3.59Å; I169-I214 HydrophobicContact CD1-CG2 4.48Å; I169-I214 HydrophobicContact CG1-CG2 4.46Å; I169-C218 CarbonylContact C-O 3.57Å; I169-C218 WeakPolarHBondContact CA-O 3.02Å; I169-C218 HydrophobicContact CG2-CB 4.08Å |
| 170 | R | 81.9 | Confident | 81.7 | Confident | 160 Ų | 160 | 86 Ų | 86 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 144.6 | 176.9 | -175.3 | 176.2 | 176.2 | -177 | 0.6 | 111.2 | G174 C218 | R170-G174 CarbonylContact C-O 3.58Å; R170-G174 WeakPolarHBondContact CA-O 3.27Å; R170-G174 WeakPolarHBondContact CG-O 3.5Å; R170-C218 PolarHBondContact N-O 3.33Å; R170-C218 WeakPolarHBondContact O-CB 3.44Å |
| 171 | T | 79.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 80 Ų | 80 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 174.3 | 165.1 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | K173 G174 R176 | T171-K173 PolarHBondContact O-N 2.85Å; T171-K173 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact N-O 2.94Å; T171-G174 PolarHBondContact O-N 2.96Å; T171-G174 PolarHBondContact OG1-N 3.32Å; T171-G174 PolarHBondContact OG1-O 3.32Å; T171-R176 HydrophobicContact CG2-CB 3.29Å; T171-R176 HydrophobicContact CG2-CG 3.49Å; T171-R176 VanDerWaalsContact CG2-CG 3.49Å |
| 172 | F | 75.8 | Confident | 81.3 | Confident | 192 Ų | 192 | 77.7 Ų | 77.7 | 84% | 0.842 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.9 | 176.3 | -178.4 | -108.6 | 0 | 0 | 0 | 114.2 | ||
| 173 | K | 71.9 | Confident | 81.3 | Confident | 189 Ų | 189 | 70.8 Ų | 70.8 | 82% | 0.822 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 37.9 | 180 | -77.6 | -174.7 | 172.3 | 175.9 | 0 | 113.3 | T171 | T171-K173 PolarHBondContact O-N 2.85Å; T171-K173 VanDerWaalsContact O-N 3.1Å |
| 174 | G | 76.9 | Confident | 81.2 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -162.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R170 T171 | R170-G174 CarbonylContact C-O 3.58Å; R170-G174 WeakPolarHBondContact CA-O 3.27Å; R170-G174 WeakPolarHBondContact CG-O 3.5Å; T171-G174 PolarHBondContact N-O 2.94Å; T171-G174 PolarHBondContact O-N 2.96Å; T171-G174 PolarHBondContact OG1-N 3.32Å; T171-G174 PolarHBondContact OG1-O 3.32Å |
| 175 | L | 79.4 | Confident | 81.3 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.9 | 172.1 | -175.8 | 70.6 | 0 | 0 | 0 | 108.8 | H168 I169 V178 | H168-L175 HydrophobicContact CB-CD1 3.8Å; I169-L175 WeakPolarHBondContact O-CD1 3.49Å; L175-V178 HydrophobicContact CD2-CG2 4.14Å |
| 176 | R | 79.7 | Confident | 81.3 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -39.9 | 175.7 | -160.3 | 176.3 | 176.5 | 134.5 | -0.1 | 111.7 | I169 T171 Y203 | I169-R176 HydrophobicContact CB-CB 4.1Å; I169-R176 HydrophobicContact CG2-CB 3.89Å; I169-R176 WeakPolarHBondContact O-CA 3.39Å; I169-R176 WeakPolarHBondContact O-CB 3.46Å; I169-R176 PolarHBondContact O-N 3.09Å; T171-R176 HydrophobicContact CG2-CB 3.29Å; T171-R176 HydrophobicContact CG2-CG 3.49Å; T171-R176 VanDerWaalsContact CG2-CG 3.49Å; R176-Y203 PolarHBondContact NE-O 3.37Å; R176-Y203 PolarHBondContact NH2-O 3.02Å |
| 177 | G | 78.1 | Confident | 81.3 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | 170.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I169 S201 | I169-G177 PolarHBondContact N-O 2.89Å; I169-G177 PolarHBondContact O-N 2.74Å; G177-S201 WeakPolarHBondContact CA-O 3.3Å |
| 178 | V | 79.3 | Confident | 81.2 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.9 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | R166 V167 H168 L175 S201 | R166-V178 HydrophobicContact CB-CG1 4.28Å; V167-V178 WeakPolarHBondContact O-CA 3.21Å; H168-V178 WeakPolarHBondContact CD2-CG2 3.18Å; L175-V178 HydrophobicContact CD2-CG2 4.14Å; V178-S201 PolarHBondContact O-N 3.04Å |
| 179 | C | 80.1 | Confident | 81.1 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.054 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128 | 174.7 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | V167 I169 R194 V199 | V167-C179 PolarHBondContact N-O 3.38Å; V167-C179 PolarHBondContact O-N 3.16Å; I169-C179 VanDerWaalsContact CD1-SG 3.59Å; C179-R194 VanDerWaalsContact C-NH1 3.3Å; C179-R194 VanDerWaalsContact CB-CZ 3.45Å; C179-R194 VanDerWaalsContact CB-NH1 3.25Å; C179-R194 PolarHBondContact O-NH1 3.14Å; C179-V199 WeakPolarHBondContact CA-O 3.29Å |
| 180 | S | 82.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.3 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | V165 I198 V199 | V165-S180 WeakPolarHBondContact O-CA 3.23Å; S180-I198 PolarHBondContact O-N 3.24Å; S180-V199 PolarHBondContact N-O 3.18Å |
| 181 | G | 83.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V165 | V165-G181 PolarHBondContact N-O 3.34Å; V165-G181 PolarHBondContact O-N 3.19Å; V165-G181 VanDerWaalsContact O-N 3.09Å |
| 182 | F | 84.7 | Confident | 81 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.1 | 178.1 | -57.7 | -80.3 | 0 | 0 | 0 | 110.7 | R162 R164 R194 R195 | R162-F182 HydrophobicContact CB-CD1 4.38Å; R162-F182 WeakPolarHBondContact O-CD1 3.45Å; R162-F182 WeakPolarHBondContact O-CE1 3.46Å; R164-F182 HydrophobicContact CB-CE1 4.47Å; R164-F182 HydrophobicContact CG-CD1 3.99Å; R164-F182 HydrophobicContact CG-CE1 3.39Å; R164-F182 HydrophobicContact CG-CE2 4.17Å; R164-F182 HydrophobicContact CG-CZ 3.5Å; F182-R194 WeakPolarHBondContact O-CA 3.25Å; F182-R194 VanDerWaalsContact O-CB 3.27Å; F182-R194 WeakPolarHBondContact O-CB 3.42Å; F182-R194 WeakPolarHBondContact O-CG 3.43Å; F182-R195 PolarHBondContact O-N 2.9Å; F182-R195 VanDerWaalsContact O-N 3.14Å |
| 183 | V | 85.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.1 | 176.2 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | L155 V159 V165 F186 M192 R194 | L155-V183 HydrophobicContact CD1-CG2 4.35Å; V159-V183 HydrophobicContact CG2-CB 3.93Å; V159-V183 HydrophobicContact CG2-CG1 3.73Å; V165-V183 HydrophobicContact CB-CG2 4.15Å; V165-V183 HydrophobicContact CG2-CG2 4.06Å; V183-F186 HydrophobicContact CG1-CB 4.47Å; V183-M192 HydrophobicContact CG1-CB 4.23Å; V183-M192 HydrophobicContact CG2-SD 4.32Å; V183-R194 HydrophobicContact CB-CG 4.4Å; V183-R194 HydrophobicContact CG2-CG 3.91Å |
| 184 | V | 84.8 | Confident | 81.3 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -48.6 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | V159 V193 R195 | V159-V184 VanDerWaalsContact CG1-O 3.29Å; V159-V184 WeakPolarHBondContact CG1-O 3.35Å; V184-V193 PolarHBondContact N-O 3.24Å; V184-R195 HydrophobicContact CG2-CB 3.71Å |
| 185 | V | 85.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.6 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 110 | L141 M144 M192 V193 | L141-V185 HydrophobicContact CD2-CG1 3.41Å; L141-V185 VanDerWaalsContact CD2-CG1 3.41Å; M144-V185 HydrophobicContact SD-CB 3.91Å; M144-V185 HydrophobicContact SD-CG1 3.88Å; V185-M192 WeakPolarHBondContact O-CA 3.33Å; V185-V193 HydrophobicContact CG2-CB 3.63Å; V185-V193 HydrophobicContact CG2-CG2 3.74Å; V185-V193 PolarHBondContact N-O 2.76Å; V185-V193 PolarHBondContact O-N 3.19Å |
| 186 | F | 83.8 | Confident | 79.9 | Confident | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 155 | 174.1 | 68.5 | -88.1 | 0 | 0 | 0 | 110 | V140 M144 L152 L155 H156 V159 V183 N191 M192 | V140-F186 WeakPolarHBondContact CG1-O 3.3Å; M144-F186 HydrophobicContact CB-CE1 4.22Å; M144-F186 HydrophobicContact CB-CZ 4.17Å; M144-F186 HydrophobicContact CE-CD1 3.97Å; M144-F186 HydrophobicContact CE-CE1 3.79Å; M144-F186 HydrophobicContact CG-CD1 4.11Å; M144-F186 HydrophobicContact CG-CE1 3.77Å; M144-F186 HydrophobicContact CG-CE2 4.38Å; M144-F186 HydrophobicContact CG-CZ 3.91Å; M144-F186 HydrophobicContact SD-CD1 4.43Å; M144-F186 HydrophobicContact SD-CE1 4.44Å; L152-F186 HydrophobicContact CB-CE2 4.12Å; L152-F186 HydrophobicContact CD2-CD2 4.23Å; L152-F186 HydrophobicContact CD2-CE2 4.42Å; L152-F186 WeakPolarHBondContact O-CZ 3.44Å; L155-F186 HydrophobicContact CD2-CB 3.78Å; L155-F186 HydrophobicContact CD2-CD1 4.21Å; L155-F186 HydrophobicContact CD2-CD2 4.09Å; L155-F186 HydrophobicContact CD2-CG 3.75Å; L155-F186 HydrophobicContact CG-CB 4.5Å; L155-F186 HydrophobicContact CG-CD1 4.12Å; L155-F186 HydrophobicContact CG-CG 4.18Å; H156-F186 HydrophobicContact CB-CE1 3.89Å; H156-F186 HydrophobicContact CB-CZ 3.84Å; H156-F186 AromaticContact CD2-CE1 3.98Å; V159-F186 HydrophobicContact CG2-CD1 3.93Å; V159-F186 HydrophobicContact CG2-CE1 4.24Å; V183-F186 HydrophobicContact CG1-CB 4.47Å; F186-N191 CarbonylContact C-O 3.45Å; F186-N191 VanDerWaalsContact CA-O 3.27Å; F186-N191 WeakPolarHBondContact CA-O 3.06Å; F186-M192 HydrophobicContact CB-CB 4.21Å |
| 187 | D | 84.9 | Confident | 79.1 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | trans | -113.9 | 164.7 | 178.4 | -167.3 | 9.8 | 0 | 0 | 0 | 110.8 | F189 W190 N191 | D187-F189 PolarHBondContact O-N 3.45Å; D187-F189 VanDerWaalsContact O-N 3.08Å; D187-W190 PolarHBondContact O-N 3.07Å; D187-N191 HydrophobicContact CB-CB 4.01Å; D187-N191 PolarHBondContact N-O 3.33Å | ||
| 188 | K | 81.2 | Confident | 78.2 | Confident | 145 Ų | 145 | 57.8 Ų | 57.8 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.7 | 175.4 | -179.1 | 179.9 | 178.1 | -174.8 | 0 | 112.2 | W190 | K188-W190 PolarHBondContact O-N 3.14Š|
| 189 | F | 80.4 | Confident | 77.1 | Confident | 137 Ų | 137 | 60 Ų | 60 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 13.5 | 179.2 | -62.1 | -70.1 | 0 | 0 | 0 | 113.4 | D187 N191 G216 | D187-F189 PolarHBondContact O-N 3.45Å; D187-F189 VanDerWaalsContact O-N 3.08Å; F189-N191 PolarHBondContact O-N 2.65Å; F189-N191 VanDerWaalsContact O-N 3.09Å; F189-G216 WeakPolarHBondContact O-CA 3.44Å |
| 190 | W | 78.9 | Confident | 76.1 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 62.1 | 11.8 | -172.8 | -55.7 | 81 | 0 | 0 | 0 | 114 | P151 L152 D187 K188 M192 V219 L221 | P151-W190 HydrophobicContact CB-CH2 4.29Å; L152-W190 HydrophobicContact CD2-CD2 3.95Å; L152-W190 HydrophobicContact CD2-CE3 4.15Å; L152-W190 HydrophobicContact CD2-CG 4.5Å; L152-W190 HydrophobicContact CD2-CH2 4.28Å; L152-W190 HydrophobicContact CD2-CZ2 4.08Å; L152-W190 HydrophobicContact CD2-CZ3 4.3Å; L152-W190 HydrophobicContact CG-CZ2 4.47Å; D187-W190 PolarHBondContact O-N 3.07Å; K188-W190 PolarHBondContact O-N 3.14Å; W190-M192 WeakPolarHBondContact O-CE 3.49Å; W190-M192 PolarHBondContact O-N 3.4Å; W190-V219 HydrophobicContact CB-CB 4.22Å; W190-V219 HydrophobicContact CB-CG1 4.39Å; W190-V219 HydrophobicContact CB-CG2 4.44Å; W190-V219 HydrophobicContact CE3-CG1 4.24Å; W190-L221 HydrophobicContact CE3-CD1 3.51Å; W190-L221 HydrophobicContact CZ3-CB 4.18Å; W190-L221 HydrophobicContact CZ3-CD1 3.43Å; W190-L221 VanDerWaalsContact CZ3-CD1 3.43Å; W190-L221 HydrophobicContact CZ3-CD2 4.3Å; W190-L221 HydrophobicContact CZ3-CG 4.15Å |
| 191 | N | 82.4 | Confident | 74.8 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -66.2 | 127.5 | 166.1 | -64.6 | -32.2 | 0 | 0 | 0 | 107.9 | F186 D187 F189 F213 I214 A215 G216 | F186-N191 CarbonylContact C-O 3.45Å; F186-N191 VanDerWaalsContact CA-O 3.27Å; F186-N191 WeakPolarHBondContact CA-O 3.06Å; D187-N191 HydrophobicContact CB-CB 4.01Å; D187-N191 PolarHBondContact N-O 3.33Å; F189-N191 PolarHBondContact O-N 2.65Å; F189-N191 VanDerWaalsContact O-N 3.09Å; N191-F213 HydrophobicContact CB-CE1 4.41Å; N191-F213 HydrophobicContact CB-CE2 3.9Å; N191-F213 HydrophobicContact CB-CZ 3.63Å; N191-I214 VanDerWaalsContact CA-O 3.24Å; N191-I214 WeakPolarHBondContact CA-O 3.3Å; N191-I214 PolarHBondContact OD1-O 3.01Å; N191-A215 WeakPolarHBondContact OD1-CA 3.45Å; N191-G216 PolarHBondContact OD1-N 2.88Å | ||
| 192 | M | 81.2 | Confident | 73.4 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.9 | -178 | 61.4 | -174.3 | 74.8 | 0 | 0 | 111.6 | L155 V167 V183 V185 F186 W190 I214 V219 L221 | L155-M192 HydrophobicContact CD2-CE 4.24Å; V167-M192 HydrophobicContact CG1-SD 4.37Å; V167-M192 HydrophobicContact CG2-SD 3.65Å; V183-M192 HydrophobicContact CG1-CB 4.23Å; V183-M192 HydrophobicContact CG2-SD 4.32Å; V185-M192 WeakPolarHBondContact O-CA 3.33Å; F186-M192 HydrophobicContact CB-CB 4.21Å; W190-M192 WeakPolarHBondContact O-CE 3.49Å; W190-M192 PolarHBondContact O-N 3.4Å; M192-I214 HydrophobicContact CG-CB 4.23Å; M192-I214 HydrophobicContact CG-CD1 3.99Å; M192-I214 HydrophobicContact CG-CG1 4.5Å; M192-I214 PolarHBondContact N-O 3.15Å; M192-I214 PolarHBondContact O-N 3.35Å; M192-I214 VanDerWaalsContact O-N 3.17Å; M192-I214 HydrophobicContact SD-CD1 4.25Å; M192-V219 HydrophobicContact CE-CG1 4.08Å; M192-L221 HydrophobicContact CE-CD1 3.89Å |
| 193 | V | 81.1 | Confident | 71.6 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 22% | 0.218 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.7 | 172.5 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | V184 V185 C211 F213 | V184-V193 PolarHBondContact N-O 3.24Å; V185-V193 HydrophobicContact CG2-CB 3.63Å; V185-V193 HydrophobicContact CG2-CG2 3.74Å; V185-V193 PolarHBondContact N-O 2.76Å; V185-V193 PolarHBondContact O-N 3.19Å; V193-C211 HydrophobicContact CG1-CB 3.81Å; V193-F213 HydrophobicContact CG2-CD2 4.11Å |
| 194 | R | 73.3 | Confident | 69.7 | Low | 1 Ų | 1 | 81 Ų | 81 | 0% | 0.004 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144 | 176.8 | -67.1 | -176.4 | -61 | 177.6 | 0 | 110.7 | C179 F182 V183 C211 L212 I214 | C179-R194 VanDerWaalsContact C-NH1 3.3Å; C179-R194 VanDerWaalsContact CB-CZ 3.45Å; C179-R194 VanDerWaalsContact CB-NH1 3.25Å; C179-R194 PolarHBondContact O-NH1 3.14Å; F182-R194 WeakPolarHBondContact O-CA 3.25Å; F182-R194 VanDerWaalsContact O-CB 3.27Å; F182-R194 WeakPolarHBondContact O-CB 3.42Å; F182-R194 WeakPolarHBondContact O-CG 3.43Å; V183-R194 HydrophobicContact CB-CG 4.4Å; V183-R194 HydrophobicContact CG2-CG 3.91Å; R194-C211 WeakPolarHBondContact O-CA 3.36Å; R194-L212 PolarHBondContact N-O 3.03Å; R194-L212 PolarHBondContact O-N 3.14Å; R194-I214 VanDerWaalsContact CZ-CD1 3.46Å |
| 195 | R | 68 | Low | 67.7 | Low | 155 Ų | 155 | 83.4 Ų | 83.4 | 59% | 0.585 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.9 | 176.5 | -163.8 | 178.7 | 178.7 | 105.3 | -2.7 | 108.7 | F182 V184 I210 | F182-R195 PolarHBondContact O-N 2.9Å; F182-R195 VanDerWaalsContact O-N 3.14Å; V184-R195 HydrophobicContact CG2-CB 3.71Å; R195-I210 WeakPolarHBondContact CA-O 3.32Å; R195-I210 HydrophobicContact CG-CG2 4.39Å |
| 196 | R | 59.8 | Low | 65.4 | Low | 182 Ų | 182 | 86.1 Ų | 86.1 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 93.9 | 177.5 | -66.1 | -169.7 | 175.1 | -179.7 | -1.2 | 115.2 | I210 | R196-I210 PolarHBondContact N-O 3.45Å |
| 197 | P | 61.8 | Low | 63.1 | Low | 57 Ų | 57 | 93.1 Ų | 93.1 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.3 | 171.5 | 28.8 | -31.8 | 0 | 0 | 0 | 110.8 | ||
| 198 | I | 58.7 | Low | 61 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -34.3 | 179.5 | -60.3 | 167.2 | 0 | 0 | 0 | 110.5 | S180 | S180-I198 PolarHBondContact O-N 3.24Å |
| 199 | V | 57.9 | Low | 59 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 124.9 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | C179 S180 | C179-V199 WeakPolarHBondContact CA-O 3.29Å; S180-V199 PolarHBondContact N-O 3.18Å |
| 200 | C | 59.1 | Low | 57.5 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 49% | 0.493 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 99.5 | 165.2 | -75.2 | 0 | 0 | 0 | 0 | 107 | L202 | C200-L202 PolarHBondContact O-N 3.03Å |
| 201 | S | 55 | Low | 56 | Low | 73 Ų | 73 | 93.5 Ų | 93.5 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | trans | -83.8 | 109.6 | 173.8 | -162.4 | 0 | 0 | 0 | 0 | 109.4 | G177 V178 | G177-S201 WeakPolarHBondContact CA-O 3.3Å; V178-S201 PolarHBondContact O-N 3.04Å | ||
| 202 | L | 52.2 | Low | 54.8 | Low | 124 Ų | 124 | 94.5 Ų | 94.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 87.5 | 125.8 | 162.2 | -117.2 | 76.7 | 0 | 0 | 0 | 122.1 | C200 A204 | C200-L202 PolarHBondContact O-N 3.03Å; L202-A204 PolarHBondContact O-N 3.45Å |
| 203 | Y | 47.2 | Very low | 53.7 | Low | 199 Ų | 199 | 100.8 Ų | 100.8 | 78% | 0.78 | 56% | 0.558 | S | S | * | * | trans | 40.4 | 66.1 | 164.4 | -82 | -86.8 | 0 | 0 | 0 | 117.1 | R176 | R176-Y203 PolarHBondContact NE-O 3.37Å; R176-Y203 PolarHBondContact NH2-O 3.02Å | ||
| 204 | A | 46.1 | Very low | 52.8 | Low | 74 Ų | 74 | 99.4 Ų | 99.4 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | trans | -129.3 | 93.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107 | L202 C206 | L202-A204 PolarHBondContact O-N 3.45Å; A204-C206 VanDerWaalsContact C-N 3.29Å; A204-C206 PolarHBondContact O-N 3.29Å | ||
| 205 | A | 43.3 | Very low | 52.5 | Low | 106 Ų | 106 | 102 Ų | 102 | 88% | 0.876 | 57% | 0.57 | S | S | * | * | trans | -57.9 | 100.3 | 160 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 206 | C | 36.8 | Very low | 52.1 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | trans | -165.1 | 94.9 | 151.8 | -137.7 | 0 | 0 | 0 | 0 | 108.3 | A204 | A204-C206 VanDerWaalsContact C-N 3.29Å; A204-C206 PolarHBondContact O-N 3.29Å | ||
| 207 | L | 36.9 | Very low | 52.3 | Low | 152 Ų | 152 | 93 Ų | 93 | 80% | 0.796 | 56% | 0.56 | S | S | * | * | trans | 24.7 | 124.9 | 144.7 | -67.7 | 153.7 | 0 | 0 | 0 | 116.8 | T209 | L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 3.48Å; L207-T209 PolarHBondContact O-OG1 3.04Å | ||
| 208 | C | 38.8 | Very low | 52.2 | Low | 147 Ų | 147 | 92.8 Ų | 92.8 | 99% | 0.993 | 56% | 0.559 | S | S | * | * | trans | -24.3 | 81.6 | 159.5 | -88.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 209 | T | 40.5 | Very low | 52.4 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | trans | -116.1 | 128.4 | 170.7 | 6.5 | 0 | 0 | 0 | 0 | 105.8 | L207 C211 | L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 3.48Å; L207-T209 PolarHBondContact O-OG1 3.04Å; T209-C211 PolarHBondContact O-N 3.33Å | ||
| 210 | I | 49 | Very low | 52.5 | Low | 105 Ų | 105 | 88 Ų | 88 | 54% | 0.538 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -58.3 | -12.7 | -172.8 | -68.2 | 156.5 | 0 | 0 | 0 | 112.3 | R195 R196 | R195-I210 WeakPolarHBondContact CA-O 3.32Å; R195-I210 HydrophobicContact CG-CG2 4.39Å; R196-I210 PolarHBondContact N-O 3.45Å |
| 211 | C | 47 | Very low | 52.5 | Low | 72 Ų | 72 | 87.4 Ų | 87.4 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 115.2 | -179.2 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | V193 R194 T209 | V193-C211 HydrophobicContact CG1-CB 3.81Å; R194-C211 WeakPolarHBondContact O-CA 3.36Å; T209-C211 PolarHBondContact O-N 3.33Å |
| 212 | L | 58 | Low | 52.3 | Low | 55 Ų | 55 | 87.6 Ų | 87.6 | 29% | 0.288 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.7 | 169.4 | -173.2 | 72.4 | 0 | 0 | 0 | 109.4 | R194 I214 | R194-L212 PolarHBondContact N-O 3.03Å; R194-L212 PolarHBondContact O-N 3.14Å; L212-I214 HydrophobicContact CD2-CG1 4.27Å; L212-I214 HydrophobicContact CG-CG1 4.48Å |
| 213 | F | 56.1 | Low | 51.9 | Low | 134 Ų | 134 | 85.5 Ų | 85.5 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.3 | 171.3 | -172.9 | -96.7 | 0 | 0 | 0 | 109.5 | N191 V193 | N191-F213 HydrophobicContact CB-CE1 4.41Å; N191-F213 HydrophobicContact CB-CE2 3.9Å; N191-F213 HydrophobicContact CB-CZ 3.63Å; V193-F213 HydrophobicContact CG2-CD2 4.11Å |
| 214 | I | 64.1 | Low | 51.8 | Low | 6 Ų | 6 | 84.6 Ų | 84.6 | 3% | 0.031 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.8 | 175.1 | -57.8 | 167.9 | 0 | 0 | 0 | 108.5 | V167 I169 N191 M192 R194 L212 V219 | V167-I214 HydrophobicContact CB-CD1 4.24Å; V167-I214 HydrophobicContact CG1-CD1 3.88Å; V167-I214 HydrophobicContact CG2-CD1 4.46Å; I169-I214 HydrophobicContact CD1-CG2 4.48Å; I169-I214 HydrophobicContact CG1-CG2 4.46Å; N191-I214 VanDerWaalsContact CA-O 3.24Å; N191-I214 WeakPolarHBondContact CA-O 3.3Å; N191-I214 PolarHBondContact OD1-O 3.01Å; M192-I214 HydrophobicContact CG-CB 4.23Å; M192-I214 HydrophobicContact CG-CD1 3.99Å; M192-I214 HydrophobicContact CG-CG1 4.5Å; M192-I214 PolarHBondContact N-O 3.15Å; M192-I214 PolarHBondContact O-N 3.35Å; M192-I214 VanDerWaalsContact O-N 3.17Å; M192-I214 HydrophobicContact SD-CD1 4.25Å; R194-I214 VanDerWaalsContact CZ-CD1 3.46Å; L212-I214 HydrophobicContact CD2-CG1 4.27Å; L212-I214 HydrophobicContact CG-CG1 4.48Å; I214-V219 HydrophobicContact CG2-CG2 3.52Å |
| 215 | A | 65.3 | Low | 51.6 | Low | 55 Ų | 55 | 84.7 Ų | 84.7 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 131.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N191 C217 C218 | N191-A215 WeakPolarHBondContact OD1-CA 3.45Å; A215-C217 PolarHBondContact O-N 2.72Å; A215-C218 PolarHBondContact O-N 2.97Å |
| 216 | G | 61.2 | Low | 51.2 | Low | 13 Ų | 13 | 82.9 Ų | 82.9 | 13% | 0.134 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -53.3 | -39.4 | -175 | 0 | 0 | 0 | 0 | 0 | 118.1 | F189 N191 C218 V219 | F189-G216 WeakPolarHBondContact O-CA 3.44Å; N191-G216 PolarHBondContact OD1-N 2.88Å; G216-C218 PolarHBondContact O-N 3.13Å; G216-V219 PolarHBondContact O-N 3.08Å; G216-V219 VanDerWaalsContact O-N 3.14Å |
| 217 | C | 63.3 | Low | 51.2 | Low | 136 Ų | 136 | 84.4 Ų | 84.4 | 92% | 0.919 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -62.8 | -14 | -174.9 | -64.1 | 0 | 0 | 0 | 0 | 113.6 | A215 | A215-C217 PolarHBondContact O-N 2.72Š|
| 218 | C | 58.7 | Low | 50.9 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -109.8 | 5.4 | -178 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | I169 R170 A215 G216 | I169-C218 CarbonylContact C-O 3.57Å; I169-C218 WeakPolarHBondContact CA-O 3.02Å; I169-C218 HydrophobicContact CG2-CB 4.08Å; R170-C218 PolarHBondContact N-O 3.33Å; R170-C218 WeakPolarHBondContact O-CB 3.44Å; A215-C218 PolarHBondContact O-N 2.97Å; G216-C218 PolarHBondContact O-N 3.13Å |
| 219 | V | 64.3 | Low | 51.5 | Low | 22 Ų | 22 | 89.7 Ų | 89.7 | 13% | 0.133 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.4 | -168.8 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | V167 W190 M192 I214 G216 L221 | V167-V219 HydrophobicContact CG1-CG1 3.93Å; V167-V219 HydrophobicContact CG1-CG2 4.45Å; W190-V219 HydrophobicContact CB-CB 4.22Å; W190-V219 HydrophobicContact CB-CG1 4.39Å; W190-V219 HydrophobicContact CB-CG2 4.44Å; W190-V219 HydrophobicContact CE3-CG1 4.24Å; M192-V219 HydrophobicContact CE-CG1 4.08Å; I214-V219 HydrophobicContact CG2-CG2 3.52Å; G216-V219 PolarHBondContact O-N 3.08Å; G216-V219 VanDerWaalsContact O-N 3.14Å; V219-L221 HydrophobicContact CG1-CD1 3.35Å |
| 220 | C | 60.2 | Low | 52.1 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 42% | 0.419 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.5 | 161.3 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | H168 | H168-C220 HydrophobicContact CB-CB 4.19Å; H168-C220 WeakPolarHBondContact CB-O 3.44Å; H168-C220 PolarHBondContact N-O 3.37Å; H168-C220 VanDerWaalsContact N-O 3.09Å; H168-C220 PolarHBondContact O-N 3.46Å |
| 221 | L | 58.2 | Low | 52.3 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 31% | 0.314 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.7 | 168 | -90.7 | 88.3 | 0 | 0 | 0 | 109.1 | L155 V165 W190 M192 V219 | L155-L221 HydrophobicContact CD1-CD2 3.86Å; V165-L221 HydrophobicContact CG1-CD2 3.91Å; W190-L221 HydrophobicContact CE3-CD1 3.51Å; W190-L221 HydrophobicContact CZ3-CB 4.18Å; W190-L221 HydrophobicContact CZ3-CD1 3.43Å; W190-L221 VanDerWaalsContact CZ3-CD1 3.43Å; W190-L221 HydrophobicContact CZ3-CD2 4.3Å; W190-L221 HydrophobicContact CZ3-CG 4.15Å; M192-L221 HydrophobicContact CE-CD1 3.89Å; V219-L221 HydrophobicContact CG1-CD1 3.35Å |
| 222 | S | 51.6 | Low | 52.6 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | trans | -105.3 | 111.3 | 166.2 | -60.8 | 0 | 0 | 0 | 0 | 106.9 | H224 | S222-H224 PolarHBondContact O-N 3.38Š| ||
| 223 | G | 43.6 | Very low | 52.2 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 83% | 0.825 | 57% | 0.568 | S | S | * | * | trans | -72.9 | 102 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | G225 | G223-G225 VanDerWaalsContact C-N 3.35Å; G223-G225 PolarHBondContact O-N 2.97Å | ||
| 224 | H | 44.8 | Very low | 52 | Low | 180 Ų | 180 | 89 Ų | 89 | 83% | 0.833 | 57% | 0.567 | S | S | * | * | trans | -76.3 | 99.9 | 154 | -104.8 | 127.3 | 0 | 0 | 0 | 106 | S222 G226 | S222-H224 PolarHBondContact O-N 3.38Å; H224-G226 PolarHBondContact O-N 3.36Å | ||
| 225 | G | 41.6 | Very low | 51.1 | Low | 75 Ų | 75 | 94.9 Ų | 94.9 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | trans | -62 | 87.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108 | G223 C227 | G223-G225 VanDerWaalsContact C-N 3.35Å; G223-G225 PolarHBondContact O-N 2.97Å; G225-C227 VanDerWaalsContact C-N 3.34Å; G225-C227 PolarHBondContact O-N 3.33Å; G225-C227 VanDerWaalsContact O-N 3.09Å | ||
| 226 | G | 34.4 | Very low | 50 | Low | 69 Ų | 69 | 98 Ų | 98 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | trans | -73.2 | 92.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | H224 R228 | H224-G226 PolarHBondContact O-N 3.36Å; G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å | ||
| 227 | C | 37 | Very low | 49.1 | Very low | 126 Ų | 126 | 105.1 Ų | 105.1 | 85% | 0.851 | 66% | 0.657 | S | S | * | * | trans | -65.5 | 100.2 | 150.5 | -75.2 | 0 | 0 | 0 | 0 | 107.2 | G225 | G225-C227 VanDerWaalsContact C-N 3.34Å; G225-C227 PolarHBondContact O-N 3.33Å; G225-C227 VanDerWaalsContact O-N 3.09Å | ||
| 228 | R | 31.4 | Very low | 47.8 | Very low | 321 Ų | 321 | 102.3 Ų | 102.3 | 100% | 1.211 | 63% | 0.633 | S | S | * | * | trans | 175 | 0 | 142.7 | -96.4 | 169 | -165.8 | -114.5 | 4.1 | 109.7 | G226 | G226-R228 VanDerWaalsContact C-N 3.33Å; G226-R228 PolarHBondContact O-N 2.95Å; G226-R228 VanDerWaalsContact O-N 3.14Å |
Retrieved 228 of 228 residues in 159.9 ms
(Link to these results)