| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.1 | Very low | 52.6 | Low | 246 Ų | 246 | 148.3 Ų | 148.3 | 100% | 1.212 | 84% | 0.837 | S | S | * | * | 0 | 111 | 0 | -74.4 | 118.8 | 122.7 | 0 | 0 | 107.5 | |||||
| 2 | G | 42.5 | Very low | 52.3 | Low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -70.5 | 146.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | A | 57.9 | Low | 52.5 | Low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 83% | 0.828 | S | S | * | * | trans | -65.6 | -162 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | W | 49.8 | Very low | 51.8 | Low | 258 Ų | 258 | 148.1 Ų | 148.1 | 98% | 0.977 | 83% | 0.825 | S | S | * | * | trans | 85.7 | 114.9 | 179.5 | -46 | 95.8 | 0 | 0 | 0 | 112.5 | ||||
| 5 | G | 44.1 | Very low | 52 | Low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | cis | 149.9 | 119.7 | 11.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 6 | A | 59.6 | Low | 51.9 | Low | 93 Ų | 93 | 151.6 Ų | 151.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -76 | 146.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | P | 54.8 | Low | 52.1 | Low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -148.2 | 145.5 | 111.9 | 32.2 | -14.2 | 0 | 0 | 0 | 115.4 | |||||
| 8 | H | 60.8 | Low | 52.3 | Low | 179 Ų | 179 | 143.1 Ų | 143.1 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -58 | 134.3 | 160.6 | -52.5 | -86.2 | 0 | 0 | 0 | 110.8 | ||||
| 9 | R | 53.2 | Low | 52.4 | Low | 226 Ų | 226 | 142.1 Ų | 142.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -137.4 | 99.6 | 158.9 | -81.2 | -164.8 | 175 | 173 | 0.1 | 110.5 | ||||
| 10 | T | 56.3 | Low | 52.5 | Low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -85.2 | 107.7 | 157.6 | 44 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 11 | I | 55.7 | Low | 52.9 | Low | 143 Ų | 143 | 139.3 Ų | 139.3 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -153.6 | 147.4 | 161.5 | -30.9 | 172.2 | 0 | 0 | 0 | 106.8 | ||||
| 12 | P | 48.3 | Very low | 53.6 | Low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | -118.5 | -177.9 | -106.4 | 21.1 | 5.1 | 0 | 0 | 0 | 110.9 | R14 | P12-R14 PolarHBondContact O-N 3.47Š| |||
| 13 | C | 55.6 | Low | 54.7 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -22.4 | 95 | 170.5 | -53.7 | 0 | 0 | 0 | 0 | 114.7 | N15 | C13-N15 PolarHBondContact O-N 2.95Š| ||
| 14 | R | 42.7 | Very low | 55.2 | Low | 208 Ų | 208 | 137.1 Ų | 137.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -85.2 | 70.7 | 164.6 | -167.9 | 165.1 | 159.8 | 176.8 | -6.5 | 107.8 | P12 R16 | P12-R14 PolarHBondContact O-N 3.47Å; R14-R16 PolarHBondContact O-N 2.92Å | ||
| 15 | N | 55.1 | Low | 56.2 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -63.2 | 89.6 | 168.3 | -162.1 | -29.8 | 0 | 0 | 0 | 107.2 | C13 G17 | C13-N15 PolarHBondContact O-N 2.95Å; N15-G17 PolarHBondContact O-N 3.2Å | ||
| 16 | R | 50.2 | Low | 57.8 | Low | 204 Ų | 204 | 130.6 Ų | 130.6 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | -82.3 | 62.2 | 178.6 | -161.4 | -176.9 | -157.4 | 177 | 3.5 | 107.9 | R14 A18 | R14-R16 PolarHBondContact O-N 2.92Å; R16-A18 VanDerWaalsContact C-N 3.34Å; R16-A18 PolarHBondContact O-N 3.4Å | ||
| 17 | G | 54.1 | Low | 58.6 | Low | 50 Ų | 50 | 128.7 Ų | 128.7 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | trans | -62.4 | 101 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | N15 M19 | N15-G17 PolarHBondContact O-N 3.2Å; G17-M19 PolarHBondContact O-N 2.86Å | ||
| 18 | A | 57.2 | Low | 59.6 | Low | 100 Ų | 100 | 126.1 Ų | 126.1 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | trans | -67.7 | 75.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | R16 Q20 | R16-A18 VanDerWaalsContact C-N 3.34Å; R16-A18 PolarHBondContact O-N 3.4Å; A18-Q20 PolarHBondContact O-N 3.16Å | ||
| 19 | M | 53.4 | Low | 60.1 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 61% | 0.606 | 65% | 0.653 | S | S | * | * | trans | -64.1 | 123.3 | 170 | -74.6 | -88.1 | 178.6 | 0 | 0 | 107 | G17 L24 | G17-M19 PolarHBondContact O-N 2.86Å; M19-L24 HydrophobicContact CB-CD1 4.01Å; M19-L24 HydrophobicContact CB-CD2 3.71Å; M19-L24 HydrophobicContact CB-CG 3.74Å; M19-L24 HydrophobicContact CG-CD2 4.29Å | ||
| 20 | Q | 54.3 | Low | 61.2 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | trans | -45.1 | 127.6 | 177.1 | -95 | -178.2 | -56.1 | 0 | 0 | 109.2 | A18 R22 V23 L24 | A18-Q20 PolarHBondContact O-N 3.16Å; Q20-R22 PolarHBondContact O-N 3.36Å; Q20-V23 HydrophobicContact CB-CB 4.01Å; Q20-V23 HydrophobicContact CB-CG2 3.66Å; Q20-V23 WeakPolarHBondContact O-CA 3.18Å; Q20-V23 WeakPolarHBondContact O-CB 3.42Å; Q20-V23 PolarHBondContact O-N 2.69Å; Q20-L24 PolarHBondContact O-N 3.03Å | ||
| 21 | P | 60.8 | Low | 62 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.7 | -26.8 | -177.8 | 21.2 | -32 | 0 | 0 | 0 | 111.7 | L25 | P21-L25 VanDerWaalsContact O-CB 3.27Å; P21-L25 WeakPolarHBondContact O-CB 3.49Å; P21-L25 PolarHBondContact O-N 3.48Å |
| 22 | R | 58.9 | Low | 62.7 | Low | 198 Ų | 198 | 113 Ų | 113 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.3 | -40.3 | 171.2 | -65 | -178 | 178.1 | 177.7 | -0.9 | 112.9 | Q20 L24 L25 V26 | Q20-R22 PolarHBondContact O-N 3.36Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L25 PolarHBondContact O-N 3.36Å; R22-V26 WeakPolarHBondContact O-CB 3.25Å; R22-V26 WeakPolarHBondContact O-CG2 3.06Å; R22-V26 PolarHBondContact O-N 2.93Å |
| 23 | V | 66 | Low | 63.4 | Low | 68 Ų | 68 | 112.5 Ų | 112.5 | 41% | 0.412 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.5 | -35.5 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | Q20 A27 | Q20-V23 HydrophobicContact CB-CB 4.01Å; Q20-V23 HydrophobicContact CB-CG2 3.66Å; Q20-V23 WeakPolarHBondContact O-CA 3.18Å; Q20-V23 WeakPolarHBondContact O-CB 3.42Å; Q20-V23 PolarHBondContact O-N 2.69Å; V23-A27 WeakPolarHBondContact O-CA 3.33Å; V23-A27 WeakPolarHBondContact O-CB 3.37Å; V23-A27 PolarHBondContact O-N 3.49Å |
| 24 | L | 69.3 | Low | 63.7 | Low | 98 Ų | 98 | 109.2 Ų | 109.2 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 171.9 | -67.4 | 175.7 | 0 | 0 | 0 | 112.3 | M19 Q20 R22 A28 | M19-L24 HydrophobicContact CB-CD1 4.01Å; M19-L24 HydrophobicContact CB-CD2 3.71Å; M19-L24 HydrophobicContact CB-CG 3.74Å; M19-L24 HydrophobicContact CG-CD2 4.29Å; Q20-L24 PolarHBondContact O-N 3.03Å; R22-L24 VanDerWaalsContact C-N 3.33Å; L24-A28 WeakPolarHBondContact O-CB 3.04Å; L24-A28 PolarHBondContact O-N 2.89Å |
| 25 | L | 69.5 | Low | 64.2 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.2 | -40.1 | 178.7 | -156.9 | 120.9 | 0 | 0 | 0 | 111.3 | P21 R22 A28 L29 | P21-L25 VanDerWaalsContact O-CB 3.27Å; P21-L25 WeakPolarHBondContact O-CB 3.49Å; P21-L25 PolarHBondContact O-N 3.48Å; R22-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 2.85Å; L25-L29 HydrophobicContact CD2-CD1 3.76Å; L25-L29 HydrophobicContact CG-CD1 4.47Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 WeakPolarHBondContact O-CD1 3.17Å; L25-L29 VanDerWaalsContact O-CG 3.24Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 2.89Å |
| 26 | V | 77.8 | Confident | 64.2 | Low | 78 Ų | 78 | 98.6 Ų | 98.6 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.8 | -41.8 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | R22 L29 L30 | R22-V26 WeakPolarHBondContact O-CB 3.25Å; R22-V26 WeakPolarHBondContact O-CG2 3.06Å; R22-V26 PolarHBondContact O-N 2.93Å; V26-L29 PolarHBondContact O-N 3.45Å; V26-L30 HydrophobicContact CG1-CD1 3.66Å; V26-L30 HydrophobicContact CG1-CG 4.15Å; V26-L30 VanDerWaalsContact O-CB 3.23Å; V26-L30 WeakPolarHBondContact O-CB 3.15Å; V26-L30 WeakPolarHBondContact O-CG 3.14Å; V26-L30 PolarHBondContact O-N 2.91Å |
| 27 | A | 77.6 | Confident | 64.3 | Low | 52 Ų | 52 | 96.1 Ų | 96.1 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V23 L30 S31 | V23-A27 WeakPolarHBondContact O-CA 3.33Å; V23-A27 WeakPolarHBondContact O-CB 3.37Å; V23-A27 PolarHBondContact O-N 3.49Å; A27-L30 PolarHBondContact O-N 2.9Å; A27-S31 WeakPolarHBondContact O-CB 3.24Å; A27-S31 PolarHBondContact O-N 3.25Å |
| 28 | A | 75.2 | Confident | 63.9 | Low | 61 Ų | 61 | 97.3 Ų | 97.3 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.9 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L24 L25 S31 L32 | L24-A28 WeakPolarHBondContact O-CB 3.04Å; L24-A28 PolarHBondContact O-N 2.89Å; L25-A28 PolarHBondContact O-N 2.85Å; A28-S31 PolarHBondContact O-N 3.41Å; A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 PolarHBondContact O-N 2.96Å |
| 29 | L | 71.3 | Confident | 63.4 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.4 | -44.4 | 174.6 | -80.3 | 162.5 | 0 | 0 | 0 | 111.6 | L25 V26 L32 L33 | L25-L29 HydrophobicContact CD2-CD1 3.76Å; L25-L29 HydrophobicContact CG-CD1 4.47Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 WeakPolarHBondContact O-CD1 3.17Å; L25-L29 VanDerWaalsContact O-CG 3.24Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 2.89Å; V26-L29 PolarHBondContact O-N 3.45Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 PolarHBondContact O-N 3.1Å |
| 30 | L | 74.9 | Confident | 63.2 | Low | 105 Ų | 105 | 95.6 Ų | 95.6 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 178.2 | -73.1 | 173.1 | 0 | 0 | 0 | 111.9 | V26 A27 L33 A34 | V26-L30 HydrophobicContact CG1-CD1 3.66Å; V26-L30 HydrophobicContact CG1-CG 4.15Å; V26-L30 VanDerWaalsContact O-CB 3.23Å; V26-L30 WeakPolarHBondContact O-CB 3.15Å; V26-L30 WeakPolarHBondContact O-CG 3.14Å; V26-L30 PolarHBondContact O-N 2.91Å; A27-L30 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-A34 WeakPolarHBondContact O-CB 2.97Å; L30-A34 PolarHBondContact O-N 3.33Å |
| 31 | S | 74.4 | Confident | 62.9 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.9 | -37.9 | 176 | -157.7 | 0 | 0 | 0 | 0 | 111.2 | A27 A28 S35 | A27-S31 WeakPolarHBondContact O-CB 3.24Å; A27-S31 PolarHBondContact O-N 3.25Å; A28-S31 PolarHBondContact O-N 3.41Å; S31-S35 PolarHBondContact O-N 3.42Å |
| 32 | L | 69.4 | Low | 62.3 | Low | 125 Ų | 125 | 96.7 Ų | 96.7 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.5 | -41 | 172.2 | -172.6 | 65.8 | 0 | 0 | 0 | 111.1 | A28 L29 S35 A36 | A28-L32 WeakPolarHBondContact O-CB 3.48Å; A28-L32 PolarHBondContact O-N 2.96Å; L29-L32 PolarHBondContact O-N 3.36Å; L32-S35 PolarHBondContact O-N 3.08Å; L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 2.58Å |
| 33 | L | 64.5 | Low | 61.9 | Low | 99 Ų | 99 | 90.4 Ų | 90.4 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 177 | -168.1 | 65.9 | 0 | 0 | 0 | 111.7 | L29 L30 A36 R37 | L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 2.88Å; L33-R37 HydrophobicContact CD1-CG 4.4Å; L33-R37 HydrophobicContact CG-CG 4.23Å; L33-R37 VanDerWaalsContact O-CB 3.24Å; L33-R37 WeakPolarHBondContact O-CB 3.38Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.18Å |
| 34 | A | 60.3 | Low | 60.9 | Low | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.6 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L30 R37 A38 | L30-A34 WeakPolarHBondContact O-CB 2.97Å; L30-A34 PolarHBondContact O-N 3.33Å; A34-R37 PolarHBondContact O-N 3.31Å; A34-A38 VanDerWaalsContact O-CB 3.25Å; A34-A38 WeakPolarHBondContact O-CB 3.03Å; A34-A38 PolarHBondContact O-N 2.85Å |
| 35 | S | 55 | Low | 60 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -38.5 | 170.4 | -88.6 | 0 | 0 | 0 | 0 | 112.6 | S31 L32 | S31-S35 PolarHBondContact O-N 3.42Å; L32-S35 PolarHBondContact O-N 3.08Å |
| 36 | A | 53.8 | Low | 59.2 | Low | 45 Ų | 45 | 91.7 Ų | 91.7 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -50.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L32 L33 A38 S39 E40 | L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 2.58Å; L33-A36 PolarHBondContact O-N 2.88Å; A36-A38 PolarHBondContact O-N 2.84Å; A36-S39 WeakPolarHBondContact O-CA 3.3Å; A36-S39 VanDerWaalsContact O-CB 3.27Å; A36-S39 WeakPolarHBondContact O-CB 3.48Å; A36-S39 PolarHBondContact O-N 3.08Å; A36-E40 WeakPolarHBondContact O-CG 2.82Å |
| 37 | R | 52.2 | Low | 58 | Low | 152 Ų | 152 | 93.5 Ų | 93.5 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.6 | -27.9 | -175.5 | -66.7 | -72.5 | -109.9 | -176.3 | -0.6 | 114.2 | L33 A34 S39 E40 A41 | L33-R37 HydrophobicContact CD1-CG 4.4Å; L33-R37 HydrophobicContact CG-CG 4.23Å; L33-R37 VanDerWaalsContact O-CB 3.24Å; L33-R37 WeakPolarHBondContact O-CB 3.38Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.18Å; A34-R37 PolarHBondContact O-N 3.31Å; R37-S39 PolarHBondContact O-N 2.67Å; R37-E40 WeakPolarHBondContact CD-OE2 3.39Å; R37-E40 IonicContact NH1-OE2 3.6Å; R37-E40 PolarHBondContact O-N 3.34Å; R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.42Å; R37-A41 VanDerWaalsContact O-N 3.13Å |
| 38 | A | 45.8 | Very low | 56.9 | Low | 75 Ų | 75 | 94 Ų | 94 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.7 | -22.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A34 A36 | A34-A38 VanDerWaalsContact O-CB 3.25Å; A34-A38 WeakPolarHBondContact O-CB 3.03Å; A34-A38 PolarHBondContact O-N 2.85Å; A36-A38 PolarHBondContact O-N 2.84Å |
| 39 | S | 47.1 | Very low | 55.8 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.2 | 170.9 | -166 | 0 | 0 | 0 | 0 | 113.7 | A36 R37 | A36-S39 WeakPolarHBondContact O-CA 3.3Å; A36-S39 VanDerWaalsContact O-CB 3.27Å; A36-S39 WeakPolarHBondContact O-CB 3.48Å; A36-S39 PolarHBondContact O-N 3.08Å; R37-S39 PolarHBondContact O-N 2.67Å |
| 40 | E | 50 | Low | 54.9 | Low | 98 Ų | 98 | 96.7 Ų | 96.7 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.5 | 0.1 | -173.7 | -53.2 | -174.8 | 148.5 | 0 | 0 | 113.1 | A36 R37 | A36-E40 WeakPolarHBondContact O-CG 2.82Å; R37-E40 WeakPolarHBondContact CD-OE2 3.39Å; R37-E40 IonicContact NH1-OE2 3.6Å; R37-E40 PolarHBondContact O-N 3.34Å |
| 41 | A | 47.4 | Very low | 53.8 | Low | 78 Ų | 78 | 99 Ų | 99 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -9.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | R37 D43 | R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.42Å; R37-A41 VanDerWaalsContact O-N 3.13Å; A41-D43 PolarHBondContact O-N 2.93Å |
| 42 | E | 48.7 | Very low | 52.9 | Low | 172 Ų | 172 | 97.8 Ų | 97.8 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -7.7 | 172.4 | -56.4 | -168.7 | 101.4 | 0 | 0 | 112 | T44 | E42-T44 PolarHBondContact O-N 2.89Š|
| 43 | D | 48.7 | Very low | 52 | Low | 65 Ų | 65 | 99.4 Ų | 99.4 | 35% | 0.348 | 58% | 0.578 | S | S | . | * | trans | -110.7 | 38.1 | -156.5 | -89 | -37.9 | 0 | 0 | 0 | 113.7 | A41 S45 L46 | A41-D43 PolarHBondContact O-N 2.93Å; D43-S45 PolarHBondContact O-N 2.86Å; D43-L46 HydrophobicContact CB-CB 3.43Å; D43-L46 VanDerWaalsContact CB-CB 3.43Å; D43-L46 HydrophobicContact CB-CD1 4.05Å; D43-L46 HydrophobicContact CB-CG 4.28Å; D43-L46 WeakPolarHBondContact O-CB 3.18Å; D43-L46 PolarHBondContact O-N 2.89Å; D43-L46 WeakPolarHBondContact OD1-CB 3.46Å; D43-L46 WeakPolarHBondContact OD1-CD1 3.26Å; D43-L46 WeakPolarHBondContact OD2-CD1 3.36Å | ||
| 44 | T | 46.6 | Very low | 51.5 | Low | 130 Ų | 130 | 99.5 Ų | 99.5 | 80% | 0.798 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -16.5 | 163.9 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | E42 | E42-T44 PolarHBondContact O-N 2.89Š|
| 45 | S | 50.7 | Low | 51.3 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 83% | 0.832 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -16.1 | 168.6 | -140.3 | 0 | 0 | 0 | 0 | 113.7 | D43 | D43-S45 PolarHBondContact O-N 2.86Š|
| 46 | L | 51.1 | Low | 51.1 | Low | 60 Ų | 60 | 106 Ų | 106 | 31% | 0.314 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -1.9 | -174.8 | -149.3 | 144.2 | 0 | 0 | 0 | 113.1 | D43 G48 F49 M50 | D43-L46 HydrophobicContact CB-CB 3.43Å; D43-L46 VanDerWaalsContact CB-CB 3.43Å; D43-L46 HydrophobicContact CB-CD1 4.05Å; D43-L46 HydrophobicContact CB-CG 4.28Å; D43-L46 WeakPolarHBondContact O-CB 3.18Å; D43-L46 PolarHBondContact O-N 2.89Å; D43-L46 WeakPolarHBondContact OD1-CB 3.46Å; D43-L46 WeakPolarHBondContact OD1-CD1 3.26Å; D43-L46 WeakPolarHBondContact OD2-CD1 3.36Å; L46-G48 PolarHBondContact O-N 3.14Å; L46-F49 HydrophobicContact CD2-CB 4.02Å; L46-F49 HydrophobicContact CG-CB 4.01Å; L46-F49 CarbonylContact O-C 3.54Å; L46-F49 WeakPolarHBondContact O-CA 3.49Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.48Å; L46-M50 HydrophobicContact CD2-CG 3.72Å; L46-M50 WeakPolarHBondContact O-CG 3.49Å; L46-M50 PolarHBondContact O-N 3.25Å |
| 47 | L | 53 | Low | 51.1 | Low | 115 Ų | 115 | 106.5 Ų | 106.5 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.1 | -30.7 | 173.6 | -95.3 | 164.2 | 0 | 0 | 0 | 112.8 | F49 Q51 | L47-F49 VanDerWaalsContact C-N 3.28Å; L47-F49 PolarHBondContact O-N 2.81Å; L47-Q51 PolarHBondContact O-N 3.28Å |
| 48 | G | 55.3 | Low | 51.1 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.3 | -27.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L46 | L46-G48 PolarHBondContact O-N 3.14Å |
| 49 | F | 52.3 | Low | 51.6 | Low | 139 Ų | 139 | 106.5 Ų | 106.5 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -88.2 | -33.8 | 179.6 | -144.4 | -94 | 0 | 0 | 0 | 112.2 | L46 L47 Q51 G52 Y53 | L46-F49 HydrophobicContact CD2-CB 4.02Å; L46-F49 HydrophobicContact CG-CB 4.01Å; L46-F49 CarbonylContact O-C 3.54Å; L46-F49 WeakPolarHBondContact O-CA 3.49Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.48Å; L47-F49 VanDerWaalsContact C-N 3.28Å; L47-F49 PolarHBondContact O-N 2.81Å; F49-Q51 PolarHBondContact O-N 3.01Å; F49-G52 PolarHBondContact O-N 3.17Å; F49-Y53 AromaticContact CD1-CD2 3.98Å; F49-Y53 HydrophobicContact CD1-CD2 3.98Å; F49-Y53 HydrophobicContact CD1-CE2 4.37Å; F49-Y53 AromaticContact CE1-CD2 3.85Å; F49-Y53 HydrophobicContact CE1-CD2 3.85Å; F49-Y53 AromaticContact CE1-CE2 3.81Å; F49-Y53 HydrophobicContact CE1-CE2 3.81Å; F49-Y53 PolarHBondContact O-N 3.49Å; F49-Y53 VanDerWaalsContact O-N 3.14Å |
| 50 | M | 50.7 | Low | 52 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 38% | 0.379 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -30.6 | 174.9 | -73.9 | -174.7 | 88.3 | 0 | 0 | 112.6 | L46 G52 Y53 M54 | L46-M50 HydrophobicContact CD2-CG 3.72Å; L46-M50 WeakPolarHBondContact O-CG 3.49Å; L46-M50 PolarHBondContact O-N 3.25Å; M50-G52 VanDerWaalsContact C-N 3.32Å; M50-G52 PolarHBondContact O-N 2.81Å; M50-Y53 PolarHBondContact O-N 3.49Å; M50-M54 HydrophobicContact CB-CE 3.93Å; M50-M54 WeakPolarHBondContact O-CB 3.34Å; M50-M54 PolarHBondContact O-N 3.45Å |
| 51 | Q | 52.2 | Low | 52.4 | Low | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.1 | -32 | 179.5 | -156.1 | 172.6 | 16.7 | 0 | 0 | 112.2 | L47 F49 | L47-Q51 PolarHBondContact O-N 3.28Å; F49-Q51 PolarHBondContact O-N 3.01Å |
| 52 | G | 55.4 | Low | 52.9 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.1 | -35.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F49 M50 | F49-G52 PolarHBondContact O-N 3.17Å; M50-G52 VanDerWaalsContact C-N 3.32Å; M50-G52 PolarHBondContact O-N 2.81Å |
| 53 | Y | 51.8 | Low | 53.4 | Low | 158 Ų | 158 | 105.2 Ų | 105.2 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -79.7 | -34.9 | -178.7 | -112.7 | -91.2 | 0 | 0 | 0 | 114.2 | F49 M50 Q55 H56 A57 | F49-Y53 AromaticContact CD1-CD2 3.98Å; F49-Y53 HydrophobicContact CD1-CD2 3.98Å; F49-Y53 HydrophobicContact CD1-CE2 4.37Å; F49-Y53 AromaticContact CE1-CD2 3.85Å; F49-Y53 HydrophobicContact CE1-CD2 3.85Å; F49-Y53 AromaticContact CE1-CE2 3.81Å; F49-Y53 HydrophobicContact CE1-CE2 3.81Å; F49-Y53 PolarHBondContact O-N 3.49Å; F49-Y53 VanDerWaalsContact O-N 3.14Å; M50-Y53 PolarHBondContact O-N 3.49Å; Y53-Q55 VanDerWaalsContact C-N 3.26Å; Y53-Q55 PolarHBondContact O-N 2.84Å; Y53-H56 PolarHBondContact O-N 3.32Å; Y53-H56 VanDerWaalsContact O-N 3.08Å; Y53-A57 WeakPolarHBondContact O-CB 3.11Å; Y53-A57 PolarHBondContact O-N 2.85Å |
| 54 | M | 54 | Low | 53.8 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 50% | 0.498 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -35.5 | 175.4 | -91.1 | -173.6 | -99.3 | 0 | 0 | 112.1 | M50 H56 T58 | M50-M54 HydrophobicContact CB-CE 3.93Å; M50-M54 WeakPolarHBondContact O-CB 3.34Å; M50-M54 PolarHBondContact O-N 3.45Å; M54-H56 VanDerWaalsContact C-N 3.28Å; M54-H56 PolarHBondContact O-N 3.12Å; M54-T58 WeakPolarHBondContact O-CB 3.42Å; M54-T58 PolarHBondContact O-N 2.93Å; M54-T58 PolarHBondContact O-OG1 2.94Å |
| 55 | Q | 54.8 | Low | 54.2 | Low | 146 Ų | 146 | 104.3 Ų | 104.3 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.6 | -34.8 | 174.9 | -86.1 | -110 | 3.3 | 0 | 0 | 112.6 | Y53 | Y53-Q55 VanDerWaalsContact C-N 3.26Å; Y53-Q55 PolarHBondContact O-N 2.84Å |
| 56 | H | 51.7 | Low | 54.5 | Low | 136 Ų | 136 | 101.1 Ų | 101.1 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -84.4 | -42.3 | -179.6 | -156.6 | -101.8 | 0 | 0 | 0 | 111.9 | Y53 M54 K59 T60 | Y53-H56 PolarHBondContact O-N 3.32Å; Y53-H56 VanDerWaalsContact O-N 3.08Å; M54-H56 VanDerWaalsContact C-N 3.28Å; M54-H56 PolarHBondContact O-N 3.12Å; H56-K59 PolarHBondContact O-N 3.29Å; H56-T60 PolarHBondContact O-N 3.42Å; H56-T60 PolarHBondContact O-OG1 3.38Å |
| 57 | A | 53.4 | Low | 54.5 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.5 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y53 K59 T60 A61 | Y53-A57 WeakPolarHBondContact O-CB 3.11Å; Y53-A57 PolarHBondContact O-N 2.85Å; A57-K59 VanDerWaalsContact C-N 3.3Å; A57-K59 PolarHBondContact O-N 2.85Å; A57-T60 PolarHBondContact O-N 3.4Å; A57-A61 VanDerWaalsContact O-CB 3.3Å; A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 2.91Å |
| 58 | T | 53 | Low | 54.5 | Low | 86 Ų | 86 | 100.8 Ų | 100.8 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.7 | -31.9 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | M54 K62 | M54-T58 WeakPolarHBondContact O-CB 3.42Å; M54-T58 PolarHBondContact O-N 2.93Å; M54-T58 PolarHBondContact O-OG1 2.94Å; T58-K62 WeakPolarHBondContact O-CB 3.14Å; T58-K62 PolarHBondContact O-N 3.04Å |
| 59 | K | 55.9 | Low | 54.4 | Low | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.8 | -48.7 | 174.1 | -108.5 | -177.8 | 174.6 | 118.9 | 0 | 111.6 | H56 A57 K62 D63 | H56-K59 PolarHBondContact O-N 3.29Å; A57-K59 VanDerWaalsContact C-N 3.3Å; A57-K59 PolarHBondContact O-N 2.85Å; K59-K62 PolarHBondContact O-N 3.28Å; K59-D63 PolarHBondContact O-N 3.48Å |
| 60 | T | 55.4 | Low | 54.5 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.7 | -39.5 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | H56 A57 K62 A64 | H56-T60 PolarHBondContact O-N 3.42Å; H56-T60 PolarHBondContact O-OG1 3.38Å; A57-T60 PolarHBondContact O-N 3.4Å; T60-K62 VanDerWaalsContact C-N 3.31Å; T60-K62 PolarHBondContact O-N 2.77Å; T60-A64 VanDerWaalsContact O-CB 3.24Å; T60-A64 WeakPolarHBondContact O-CB 3.27Å; T60-A64 PolarHBondContact O-N 3.41Å |
| 61 | A | 58.1 | Low | 54.7 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 51% | 0.512 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A57 L65 | A57-A61 VanDerWaalsContact O-CB 3.3Å; A57-A61 WeakPolarHBondContact O-CB 3.27Å; A57-A61 PolarHBondContact O-N 2.91Å; A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 PolarHBondContact O-N 2.77Å |
| 62 | K | 58 | Low | 54.7 | Low | 144 Ų | 144 | 105.2 Ų | 105.2 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.5 | -35.8 | 179.5 | -162.4 | 176.3 | 175.4 | -178.9 | 0 | 112.3 | T58 K59 T60 T66 | T58-K62 WeakPolarHBondContact O-CB 3.14Å; T58-K62 PolarHBondContact O-N 3.04Å; K59-K62 PolarHBondContact O-N 3.28Å; T60-K62 VanDerWaalsContact C-N 3.31Å; T60-K62 PolarHBondContact O-N 2.77Å; K62-T66 VanDerWaalsContact O-CB 3.25Å; K62-T66 WeakPolarHBondContact O-CB 3.24Å; K62-T66 PolarHBondContact O-N 3.43Å; K62-T66 PolarHBondContact O-OG1 3.47Å |
| 63 | D | 59.2 | Low | 54.8 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.7 | -38 | 172.8 | -77.2 | -17.4 | 0 | 0 | 0 | 111.9 | K59 S67 | K59-D63 PolarHBondContact O-N 3.48Å; D63-S67 WeakPolarHBondContact O-CB 3.27Å; D63-S67 PolarHBondContact O-N 2.8Å |
| 64 | A | 57.1 | Low | 55.2 | Low | 55 Ų | 55 | 102.4 Ų | 102.4 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -39.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T60 V68 | T60-A64 VanDerWaalsContact O-CB 3.24Å; T60-A64 WeakPolarHBondContact O-CB 3.27Å; T60-A64 PolarHBondContact O-N 3.41Å; A64-V68 WeakPolarHBondContact O-CG2 3.12Å; A64-V68 PolarHBondContact O-N 2.79Å; A64-V68 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 55.3 | Low | 55.5 | Low | 121 Ų | 121 | 105.2 Ų | 105.2 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.5 | -38.6 | 177.1 | -160.2 | 75.9 | 0 | 0 | 0 | 111.5 | A61 Q69 | A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 PolarHBondContact O-N 2.77Å; L65-Q69 WeakPolarHBondContact O-CB 3.34Å; L65-Q69 PolarHBondContact O-N 3.34Å |
| 66 | T | 56 | Low | 55.9 | Low | 51 Ų | 51 | 103 Ų | 103 | 31% | 0.313 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -42.2 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | K62 V68 Q69 E70 | K62-T66 VanDerWaalsContact O-CB 3.25Å; K62-T66 WeakPolarHBondContact O-CB 3.24Å; K62-T66 PolarHBondContact O-N 3.43Å; K62-T66 PolarHBondContact O-OG1 3.47Å; T66-V68 VanDerWaalsContact C-N 3.33Å; T66-V68 PolarHBondContact O-N 2.74Å; T66-Q69 PolarHBondContact O-N 2.88Å; T66-E70 HydrophobicContact CG2-CG 4.34Å; T66-E70 WeakPolarHBondContact O-CB 3.05Å; T66-E70 PolarHBondContact O-N 3.49Å |
| 67 | S | 52.3 | Low | 56.4 | Low | 87 Ų | 87 | 99 Ų | 99 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -37.6 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 113 | D63 | D63-S67 WeakPolarHBondContact O-CB 3.27Å; D63-S67 PolarHBondContact O-N 2.8Å |
| 68 | V | 53.5 | Low | 56.8 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.9 | -40.6 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | A64 T66 E70 V73 | A64-V68 WeakPolarHBondContact O-CG2 3.12Å; A64-V68 PolarHBondContact O-N 2.79Å; A64-V68 VanDerWaalsContact O-N 3.1Å; T66-V68 VanDerWaalsContact C-N 3.33Å; T66-V68 PolarHBondContact O-N 2.74Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.19Å; V68-V73 HydrophobicContact CG1-CB 4.45Å; V68-V73 HydrophobicContact CG1-CG1 3.62Å; V68-V73 HydrophobicContact CG1-CG2 3.98Å; V68-V73 WeakPolarHBondContact O-CG2 3.42Å |
| 69 | Q | 53.1 | Low | 57.4 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 70% | 0.696 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -32.3 | -177.9 | -170.7 | 172.3 | 42.3 | 0 | 0 | 112.8 | L65 T66 | L65-Q69 WeakPolarHBondContact O-CB 3.34Å; L65-Q69 PolarHBondContact O-N 3.34Å; T66-Q69 PolarHBondContact O-N 2.88Å |
| 70 | E | 53.4 | Low | 57.8 | Low | 158 Ų | 158 | 105.4 Ų | 105.4 | 74% | 0.738 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -11.1 | -174.2 | -79.4 | -164.9 | 156.9 | 0 | 0 | 116 | T66 V68 | T66-E70 HydrophobicContact CG2-CG 4.34Å; T66-E70 WeakPolarHBondContact O-CB 3.05Å; T66-E70 PolarHBondContact O-N 3.49Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.19Å |
| 71 | S | 54.2 | Low | 58.4 | Low | 90 Ų | 90 | 105.7 Ų | 105.7 | 63% | 0.629 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -51.5 | -171.8 | -105.1 | 0 | 0 | 0 | 0 | 118.7 | ||
| 72 | Q | 53.1 | Low | 58.8 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 60% | 0.603 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | -8.9 | -161.5 | -73.9 | -175.9 | 59.9 | 0 | 0 | 117.6 | A74 Q75 Q76 | Q72-A74 PolarHBondContact O-N 3.44Å; Q72-Q75 PolarHBondContact O-N 3.46Å; Q72-Q76 WeakPolarHBondContact O-CB 3.24Å; Q72-Q76 PolarHBondContact O-N 3.13Å |
| 73 | V | 58.3 | Low | 59.1 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.4 | -29.2 | -176.9 | -80 | 0 | 0 | 0 | 0 | 114.2 | V68 A77 | V68-V73 HydrophobicContact CG1-CB 4.45Å; V68-V73 HydrophobicContact CG1-CG1 3.62Å; V68-V73 HydrophobicContact CG1-CG2 3.98Å; V68-V73 WeakPolarHBondContact O-CG2 3.42Å; V73-A77 WeakPolarHBondContact O-CA 3.2Å; V73-A77 WeakPolarHBondContact O-CB 3.5Å; V73-A77 PolarHBondContact O-N 3.02Å |
| 74 | A | 59.4 | Low | 59.5 | Low | 79 Ų | 79 | 101.5 Ų | 101.5 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.7 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q72 R78 | Q72-A74 PolarHBondContact O-N 3.44Å; A74-R78 PolarHBondContact O-N 2.93Å |
| 75 | Q | 61 | Low | 59.9 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.3 | -38.1 | 176.3 | -74.3 | -171.4 | -27.6 | 0 | 0 | 111.9 | Q72 R78 G79 | Q72-Q75 PolarHBondContact O-N 3.46Å; Q75-R78 WeakPolarHBondContact O-CB 3.39Å; Q75-R78 PolarHBondContact O-N 3.42Å; Q75-R78 VanDerWaalsContact O-N 3.16Å; Q75-G79 PolarHBondContact O-N 3.01Å |
| 76 | Q | 61.6 | Low | 60.2 | Low | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -40 | 174.4 | -166.6 | 171.1 | 5.8 | 0 | 0 | 110.7 | Q72 R78 G79 W80 | Q72-Q76 WeakPolarHBondContact O-CB 3.24Å; Q72-Q76 PolarHBondContact O-N 3.13Å; Q76-R78 VanDerWaalsContact C-N 3.26Å; Q76-R78 PolarHBondContact O-N 3.33Å; Q76-G79 PolarHBondContact O-N 3.39Å; Q76-G79 VanDerWaalsContact O-N 3.08Å; Q76-W80 PolarHBondContact O-N 3Å |
| 77 | A | 63.7 | Low | 60.6 | Low | 50 Ų | 50 | 104.5 Ų | 104.5 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.5 | -35.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V73 V81 | V73-A77 WeakPolarHBondContact O-CA 3.2Å; V73-A77 WeakPolarHBondContact O-CB 3.5Å; V73-A77 PolarHBondContact O-N 3.02Å; A77-V81 WeakPolarHBondContact O-CB 3.27Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 2.74Å |
| 78 | R | 60.8 | Low | 61.5 | Low | 195 Ų | 195 | 105.7 Ų | 105.7 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.8 | -43.9 | 171.9 | -81 | -172.2 | 176.2 | 179.5 | 0.6 | 111.9 | A74 Q75 Q76 T82 | A74-R78 PolarHBondContact O-N 2.93Å; Q75-R78 WeakPolarHBondContact O-CB 3.39Å; Q75-R78 PolarHBondContact O-N 3.42Å; Q75-R78 VanDerWaalsContact O-N 3.16Å; Q76-R78 VanDerWaalsContact C-N 3.26Å; Q76-R78 PolarHBondContact O-N 3.33Å; R78-T82 WeakPolarHBondContact O-CB 3.49Å; R78-T82 PolarHBondContact O-N 2.81Å; R78-T82 PolarHBondContact O-OG1 3.36Å |
| 79 | G | 65.8 | Low | 62.5 | Low | 30 Ų | 30 | 107 Ų | 107 | 31% | 0.309 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.1 | -51.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q75 Q76 V81 T82 D83 | Q75-G79 PolarHBondContact O-N 3.01Å; Q76-G79 PolarHBondContact O-N 3.39Å; Q76-G79 VanDerWaalsContact O-N 3.08Å; G79-V81 PolarHBondContact O-N 3.18Å; G79-T82 PolarHBondContact O-N 3.07Å; G79-D83 WeakPolarHBondContact O-CB 3.17Å; G79-D83 PolarHBondContact O-N 2.91Å |
| 80 | W | 65.1 | Low | 63.6 | Low | 193 Ų | 193 | 104.4 Ų | 104.4 | 73% | 0.731 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.3 | -33.1 | -179.9 | -75.1 | 71.8 | 0 | 0 | 0 | 113.4 | Q76 G84 | Q76-W80 PolarHBondContact O-N 3Å; W80-G84 WeakPolarHBondContact O-CA 3.22Å; W80-G84 PolarHBondContact O-N 2.9Å |
| 81 | V | 67.4 | Low | 64.4 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.5 | -40.7 | 172.2 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | A77 G79 F85 | A77-V81 WeakPolarHBondContact O-CB 3.27Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 2.74Å; G79-V81 PolarHBondContact O-N 3.18Å; V81-F85 WeakPolarHBondContact O-CA 3.22Å; V81-F85 WeakPolarHBondContact O-CB 3.13Å; V81-F85 PolarHBondContact O-N 2.79Å |
| 82 | T | 66.1 | Low | 65.4 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.6 | -41.9 | -176.9 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | R78 G79 S86 | R78-T82 WeakPolarHBondContact O-CB 3.49Å; R78-T82 PolarHBondContact O-N 2.81Å; R78-T82 PolarHBondContact O-OG1 3.36Å; G79-T82 PolarHBondContact O-N 3.07Å; T82-S86 WeakPolarHBondContact O-CB 3.49Å; T82-S86 PolarHBondContact O-N 2.79Å; T82-S86 VanDerWaalsContact O-N 3.17Å; T82-S86 PolarHBondContact O-OG 3.38Å |
| 83 | D | 65.2 | Low | 66.2 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.4 | -42.6 | 176.8 | -69.4 | -26.9 | 0 | 0 | 0 | 111.7 | G79 S87 | G79-D83 WeakPolarHBondContact O-CB 3.17Å; G79-D83 PolarHBondContact O-N 2.91Å; D83-S87 PolarHBondContact O-N 2.89Å; D83-S87 VanDerWaalsContact O-N 3.12Å |
| 84 | G | 67.3 | Low | 67.1 | Low | 26 Ų | 26 | 106.9 Ų | 106.9 | 27% | 0.268 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W80 S87 L88 | W80-G84 WeakPolarHBondContact O-CA 3.22Å; W80-G84 PolarHBondContact O-N 2.9Å; G84-S87 PolarHBondContact O-N 2.83Å; G84-L88 WeakPolarHBondContact O-CB 3.49Å; G84-L88 WeakPolarHBondContact O-CD1 3.4Å; G84-L88 PolarHBondContact O-N 3.03Å |
| 85 | F | 65.1 | Low | 68.1 | Low | 147 Ų | 147 | 107 Ų | 107 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -36.2 | 176.9 | -169.8 | -99.1 | 0 | 0 | 0 | 111.8 | V81 K89 | V81-F85 WeakPolarHBondContact O-CA 3.22Å; V81-F85 WeakPolarHBondContact O-CB 3.13Å; V81-F85 PolarHBondContact O-N 2.79Å; F85-K89 VanDerWaalsContact O-CB 3.26Å; F85-K89 WeakPolarHBondContact O-CB 3.27Å; F85-K89 PolarHBondContact O-N 2.8Å |
| 86 | S | 62.6 | Low | 68.9 | Low | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | T82 K89 | T82-S86 WeakPolarHBondContact O-CB 3.49Å; T82-S86 PolarHBondContact O-N 2.79Å; T82-S86 VanDerWaalsContact O-N 3.17Å; T82-S86 PolarHBondContact O-OG 3.38Å; S86-K89 WeakPolarHBondContact O-CB 3.15Å; S86-K89 PolarHBondContact O-N 3.47Å |
| 87 | S | 64.1 | Low | 69.8 | Low | 76 Ų | 76 | 106.3 Ų | 106.3 | 53% | 0.531 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.7 | -33.7 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 113 | D83 G84 Y91 | D83-S87 PolarHBondContact O-N 2.89Å; D83-S87 VanDerWaalsContact O-N 3.12Å; G84-S87 PolarHBondContact O-N 2.83Å; S87-Y91 WeakPolarHBondContact O-CD2 3.21Å |
| 88 | L | 70.8 | Confident | 70.5 | Confident | 112 Ų | 112 | 111.2 Ų | 111.2 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -83.1 | -13.6 | 175.4 | -82.3 | 98.2 | 0 | 0 | 0 | 113.4 | G84 D90 Y91 W92 | G84-L88 WeakPolarHBondContact O-CB 3.49Å; G84-L88 WeakPolarHBondContact O-CD1 3.4Å; G84-L88 PolarHBondContact O-N 3.03Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.36Å; L88-Y91 PolarHBondContact O-N 3.47Å; L88-W92 WeakPolarHBondContact O-CB 3.47Å; L88-W92 PolarHBondContact O-N 2.78Å |
| 89 | K | 73.6 | Confident | 71.3 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 178.5 | -179 | -176.8 | 63 | 64.6 | 0 | 111.6 | F85 S86 W92 S93 | F85-K89 VanDerWaalsContact O-CB 3.26Å; F85-K89 WeakPolarHBondContact O-CB 3.27Å; F85-K89 PolarHBondContact O-N 2.8Å; S86-K89 WeakPolarHBondContact O-CB 3.15Å; S86-K89 PolarHBondContact O-N 3.47Å; K89-W92 PolarHBondContact O-N 2.75Å; K89-S93 VanDerWaalsContact O-CB 3.27Å; K89-S93 WeakPolarHBondContact O-CB 3.19Å; K89-S93 PolarHBondContact O-N 2.74Å |
| 90 | D | 76.2 | Confident | 71.6 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.2 | -34.4 | -176.1 | -62.2 | -24.3 | 0 | 0 | 0 | 111.5 | L88 T94 | L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.36Å; D90-T94 PolarHBondContact O-N 2.98Å; D90-T94 PolarHBondContact O-OG1 2.87Å |
| 91 | Y | 71.8 | Confident | 71.7 | Confident | 168 Ų | 168 | 100.7 Ų | 100.7 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -44.4 | 169.3 | -75.1 | -75.6 | 0 | 0 | 0 | 112 | S87 L88 S93 T94 V95 | S87-Y91 WeakPolarHBondContact O-CD2 3.21Å; L88-Y91 PolarHBondContact O-N 3.47Å; Y91-S93 VanDerWaalsContact C-N 3.32Å; Y91-S93 PolarHBondContact O-N 3.5Å; Y91-T94 PolarHBondContact O-N 2.86Å; Y91-V95 VanDerWaalsContact O-CG2 3.27Å; Y91-V95 WeakPolarHBondContact O-CG2 3.13Å; Y91-V95 PolarHBondContact O-N 2.84Å |
| 92 | W | 74.7 | Confident | 71.7 | Confident | 182 Ų | 182 | 103.8 Ų | 103.8 | 69% | 0.689 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -35.1 | 177.5 | -170.7 | -104.2 | 0 | 0 | 0 | 111.7 | L88 K89 V95 K96 | L88-W92 WeakPolarHBondContact O-CB 3.47Å; L88-W92 PolarHBondContact O-N 2.78Å; K89-W92 PolarHBondContact O-N 2.75Å; W92-V95 PolarHBondContact O-N 2.76Å; W92-K96 WeakPolarHBondContact O-CB 3.3Å; W92-K96 PolarHBondContact O-N 3.47Å |
| 93 | S | 69.3 | Low | 71.7 | Confident | 71 Ų | 71 | 109.2 Ų | 109.2 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -42.6 | 173.7 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | K89 Y91 K96 D97 | K89-S93 VanDerWaalsContact O-CB 3.27Å; K89-S93 WeakPolarHBondContact O-CB 3.19Å; K89-S93 PolarHBondContact O-N 2.74Å; Y91-S93 VanDerWaalsContact C-N 3.32Å; Y91-S93 PolarHBondContact O-N 3.5Å; S93-K96 PolarHBondContact O-N 2.87Å; S93-D97 VanDerWaalsContact O-CB 3.22Å; S93-D97 WeakPolarHBondContact O-CB 3.48Å; S93-D97 PolarHBondContact O-N 3.42Å |
| 94 | T | 78 | Confident | 71.6 | Confident | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -40.1 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | D90 Y91 K98 | D90-T94 PolarHBondContact O-N 2.98Å; D90-T94 PolarHBondContact O-OG1 2.87Å; Y91-T94 PolarHBondContact O-N 2.86Å; T94-K98 WeakPolarHBondContact O-CB 3.23Å; T94-K98 WeakPolarHBondContact O-CG 3.13Å; T94-K98 PolarHBondContact O-N 2.89Å; T94-K98 VanDerWaalsContact O-N 3.07Å |
| 95 | V | 79 | Confident | 71.1 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.7 | -43.2 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | Y91 W92 L99 | Y91-V95 VanDerWaalsContact O-CG2 3.27Å; Y91-V95 WeakPolarHBondContact O-CG2 3.13Å; Y91-V95 PolarHBondContact O-N 2.84Å; W92-V95 PolarHBondContact O-N 2.76Å; V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 PolarHBondContact O-N 3.05Å |
| 96 | K | 79.8 | Confident | 70.6 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -44.1 | 177.3 | -177.9 | 177.2 | 174.7 | 174.5 | 0 | 111.5 | W92 S93 L99 S100 | W92-K96 WeakPolarHBondContact O-CB 3.3Å; W92-K96 PolarHBondContact O-N 3.47Å; S93-K96 PolarHBondContact O-N 2.87Å; K96-L99 CarbonylContact O-C 3.58Å; K96-L99 PolarHBondContact O-N 3.32Å; K96-S100 WeakPolarHBondContact O-CB 3.46Å; K96-S100 PolarHBondContact O-N 3.36Å; K96-S100 PolarHBondContact O-OG 3Å |
| 97 | D | 79.1 | Confident | 70.1 | Confident | 108 Ų | 108 | 116.1 Ų | 116.1 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62 | -45.8 | 178.8 | -177.1 | -97.4 | 0 | 0 | 0 | 111.7 | S93 L99 S100 G101 | S93-D97 VanDerWaalsContact O-CB 3.22Å; S93-D97 WeakPolarHBondContact O-CB 3.48Å; S93-D97 PolarHBondContact O-N 3.42Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 3.1Å; D97-S100 VanDerWaalsContact CA-OG 3.3Å; D97-S100 WeakPolarHBondContact CA-OG 3.02Å; D97-S100 PolarHBondContact O-N 3.23Å; D97-S100 PolarHBondContact O-OG 2.77Å; D97-G101 PolarHBondContact O-N 2.97Å |
| 98 | K | 78.9 | Confident | 69.5 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 66% | 0.661 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -33.3 | 173.9 | -71.4 | -165.8 | -177.6 | -63.5 | 0 | 112.6 | T94 F102 | T94-K98 WeakPolarHBondContact O-CB 3.23Å; T94-K98 WeakPolarHBondContact O-CG 3.13Å; T94-K98 PolarHBondContact O-N 2.89Å; T94-K98 VanDerWaalsContact O-N 3.07Å; K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 3.41Å; K98-F102 VanDerWaalsContact O-N 3.1Å |
| 99 | L | 76.9 | Confident | 68.4 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.6 | -35.2 | 177.3 | -161 | 76.2 | 0 | 0 | 0 | 112.1 | V95 K96 D97 F102 W103 | V95-L99 WeakPolarHBondContact O-CB 3.25Å; V95-L99 PolarHBondContact O-N 3.05Å; K96-L99 CarbonylContact O-C 3.58Å; K96-L99 PolarHBondContact O-N 3.32Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 3.1Å; L99-F102 PolarHBondContact O-N 2.95Å; L99-W103 WeakPolarHBondContact O-CB 3.44Å; L99-W103 PolarHBondContact O-N 3.33Å |
| 100 | S | 71.8 | Confident | 67 | Low | 59 Ų | 59 | 119.6 Ų | 119.6 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.6 | -42.8 | 173.2 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | K96 D97 F102 W103 D104 | K96-S100 WeakPolarHBondContact O-CB 3.46Å; K96-S100 PolarHBondContact O-N 3.36Å; K96-S100 PolarHBondContact O-OG 3Å; D97-S100 VanDerWaalsContact CA-OG 3.3Å; D97-S100 WeakPolarHBondContact CA-OG 3.02Å; D97-S100 PolarHBondContact O-N 3.23Å; D97-S100 PolarHBondContact O-OG 2.77Å; S100-F102 PolarHBondContact O-N 3.49Å; S100-W103 PolarHBondContact O-N 3.49Å; S100-D104 WeakPolarHBondContact O-CB 3.39Å; S100-D104 PolarHBondContact O-N 2.96Å |
| 101 | G | 67.3 | Low | 65.8 | Low | 36 Ų | 36 | 121.1 Ų | 121.1 | 37% | 0.371 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.9 | -34.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D97 L105 | D97-G101 PolarHBondContact O-N 2.97Å; G101-L105 VanDerWaalsContact O-CD1 3.22Å; G101-L105 WeakPolarHBondContact O-CD1 3.22Å; G101-L105 WeakPolarHBondContact O-CG 3.22Å; G101-L105 PolarHBondContact O-N 3.03Å |
| 102 | F | 68.3 | Low | 64.7 | Low | 159 Ų | 159 | 118.5 Ų | 118.5 | 70% | 0.697 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.5 | -32.6 | 173.4 | -165.5 | 88.5 | 0 | 0 | 0 | 113.1 | K98 L99 S100 | K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 3.41Å; K98-F102 VanDerWaalsContact O-N 3.1Å; L99-F102 PolarHBondContact O-N 2.95Å; S100-F102 PolarHBondContact O-N 3.49Å |
| 103 | W | 66.1 | Low | 63.5 | Low | 201 Ų | 201 | 116.2 Ų | 116.2 | 76% | 0.761 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.2 | -31.4 | 178.3 | -107.2 | 98.8 | 0 | 0 | 0 | 113.8 | L99 S100 L105 | L99-W103 WeakPolarHBondContact O-CB 3.44Å; L99-W103 PolarHBondContact O-N 3.33Å; S100-W103 PolarHBondContact O-N 3.49Å; W103-L105 VanDerWaalsContact C-N 3.27Å; W103-L105 PolarHBondContact O-N 3.36Å |
| 104 | D | 62.4 | Low | 62.4 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -25.2 | 177.5 | -143.6 | -95.1 | 0 | 0 | 0 | 111.7 | S100 N106 | S100-D104 WeakPolarHBondContact O-CB 3.39Å; S100-D104 PolarHBondContact O-N 2.96Å; D104-N106 VanDerWaalsContact C-N 3.26Å; D104-N106 PolarHBondContact O-N 2.83Å |
| 105 | L | 56.8 | Low | 61.1 | Low | 136 Ų | 136 | 123 Ų | 123 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 2 | -178.8 | -78.5 | 166.6 | 0 | 0 | 0 | 115.4 | G101 W103 | G101-L105 VanDerWaalsContact O-CD1 3.22Å; G101-L105 WeakPolarHBondContact O-CD1 3.22Å; G101-L105 WeakPolarHBondContact O-CG 3.22Å; G101-L105 PolarHBondContact O-N 3.03Å; W103-L105 VanDerWaalsContact C-N 3.27Å; W103-L105 PolarHBondContact O-N 3.36Å |
| 106 | N | 55.7 | Low | 59.7 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 55% | 0.551 | 68% | 0.68 | S | S | * | * | trans | -143.3 | 92.4 | 177.1 | -159.3 | 28.9 | 0 | 0 | 0 | 114.4 | D104 A109 | D104-N106 VanDerWaalsContact C-N 3.26Å; D104-N106 PolarHBondContact O-N 2.83Å; N106-A109 PolarHBondContact OD1-N 2.92Å | ||
| 107 | P | 50.7 | Low | 57.7 | Low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | -125.3 | 11.7 | 125 | 36.6 | -31 | 0 | 0 | 0 | 114.3 | |||
| 108 | E | 51.7 | Low | 56.6 | Low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -142 | 48.6 | 179.7 | -151.5 | -179.8 | 107 | 0 | 0 | 113.9 | ||
| 109 | A | 47.3 | Very low | 55.4 | Low | 72 Ų | 72 | 124.5 Ų | 124.5 | 60% | 0.595 | 73% | 0.734 | S | S | * | * | trans | -117.6 | 87.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N106 | N106-A109 PolarHBondContact OD1-N 2.92Š| ||
| 110 | T | 44.4 | Very low | 54.2 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -27.6 | 131 | 157.4 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | T112 | T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 2.87Å | ||
| 111 | P | 51.1 | Low | 53.2 | Low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -79 | 79.2 | -179.1 | 33.7 | -32.4 | 0 | 0 | 0 | 108.7 | ||
| 112 | T | 50.3 | Low | 52.3 | Low | 112 Ų | 112 | 135.4 Ų | 135.4 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -149.8 | 116.7 | 167.5 | -59 | 0 | 0 | 0 | 0 | 110.2 | T110 | T110-T112 VanDerWaalsContact C-N 3.28Å; T110-T112 PolarHBondContact O-N 2.87Å | ||
| 113 | L | 48.8 | Very low | 51.2 | Low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 80% | 0.795 | S | S | * | * | trans | 82.2 | 73.4 | 155.9 | -143.9 | 133.8 | 0 | 0 | 0 | 117 | A116 | L113-A116 HydrophobicContact CD2-CB 4.42Š| ||
| 114 | A | 45.5 | Very low | 50.2 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -117.6 | 48.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 115 | E | 52.1 | Low | 49.2 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -144.3 | 93.7 | 162.5 | -167.6 | -172.8 | 138.2 | 0 | 0 | 106.9 | ||||
| 116 | A | 47.9 | Very low | 48.6 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | trans | -174.8 | 118.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110 | L113 | L113-A116 HydrophobicContact CD2-CB 4.42Š| ||
| 117 | A | 37.7 | Very low | 47.9 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 100% | 1.512 | 83% | 0.831 | S | S | * | * | trans | 77.2 | 0 | 166 | 0 | 0 | 0 | 0 | 0 | 118.1 |
Retrieved 117 of 117 residues in 54.6 ms
(Link to these results)