| 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 | 39.6 | Very low | 39.6 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 100% | 1.197 | 84% | 0.835 | S | S | * | * | 0 | 85.5 | 0 | -60.8 | -174.1 | -87.7 | 0 | 0 | 105.9 | |||||
| 2 | A | 40 | Very low | 39 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | 90.1 | 116.5 | 90.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3 | Q | 42.3 | Very low | 38.4 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 84% | 0.841 | S | S | * | * | trans | 67.3 | 139.6 | 147.5 | -84.6 | -90.6 | -24 | 0 | 0 | 117.4 | ||||
| 4 | K | 45 | Very low | 37.7 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 63% | 0.63 | 84% | 0.835 | S | S | * | * | cis | -174.8 | 145 | 35.9 | -177.4 | 167.2 | 168.1 | -175.1 | 0 | 112 | ||||
| 5 | E | 46.8 | Very low | 37 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | 58.7 | 141.3 | 152.9 | -72.3 | 176.2 | 179.6 | 0 | 0 | 122.4 | ||||
| 6 | G | 35.5 | Very low | 36.6 | Very low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | cis | -178.2 | 164.1 | 8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | G | 37.3 | Very low | 36 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 149.1 | 60.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 8 | T | 37.1 | Very low | 35.7 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -57.9 | 138.2 | 165.6 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | E | 38.4 | Very low | 35.6 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -167.3 | 68.8 | 137.7 | -75.8 | -138.5 | 97.6 | 0 | 0 | 111.1 | ||||
| 10 | Q | 44.2 | Very low | 35.1 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -107.4 | 116.6 | 162.1 | -155.3 | -156.2 | 87 | 0 | 0 | 109.2 | ||||
| 11 | G | 30.1 | Very low | 34.7 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -164.7 | 101.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 12 | R | 32 | Very low | 33.9 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | 58.2 | 101.7 | 86.5 | -173.1 | -171.7 | 162.8 | -155.3 | -5.4 | 113.8 | |||||
| 13 | L | 30.5 | Very low | 33.2 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -177.3 | 96.4 | 145.3 | -108.2 | 136.9 | 0 | 0 | 0 | 106.7 | ||||
| 14 | K | 29.2 | Very low | 32.9 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | 42.7 | 125.9 | 82.5 | -165.7 | 164.8 | 173 | 167.4 | 0 | 115.1 | |||||
| 15 | T | 27.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 131.3 | 87.7 | 162.5 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 16 | E | 29.9 | Very low | 31.2 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | 45 | 121.5 | 75.8 | -77.6 | -176.6 | 106.7 | 0 | 0 | 115.6 | |||||
| 17 | D | 27.1 | Very low | 31 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 58.9 | 113.9 | 155.3 | -90.5 | -89.6 | 0 | 0 | 0 | 121.5 | ||||
| 18 | S | 30.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 162.4 | 123.5 | 104 | -74.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 19 | L | 33 | Very low | 31.8 | Very low | 180 Ų | 180 | 135 Ų | 135 | 94% | 0.942 | 75% | 0.754 | S | S | * | * | trans | -1.6 | 120.7 | 133.8 | -175.6 | 69.9 | 0 | 0 | 0 | 115.4 | ||||
| 20 | G | 25.9 | Very low | 31.9 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | -170.1 | 86.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K22 | G20-K22 PolarHBondContact O-N 3.13Š| ||
| 21 | T | 26.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -22.9 | 115.2 | 160.6 | 25 | 0 | 0 | 0 | 0 | 114.1 | T23 | T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.5Å | ||
| 22 | K | 22.6 | Very low | 31.3 | Very low | 209 Ų | 209 | 125 Ų | 125 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -68.8 | 83.9 | 172.8 | -69.5 | 176.6 | 174.3 | 169.2 | 0 | 109.9 | G20 | G20-K22 PolarHBondContact O-N 3.13Š| ||
| 23 | T | 25.9 | Very low | 31 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -103 | 106.9 | 170.1 | -52.5 | 0 | 0 | 0 | 0 | 107.5 | T21 | T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.5Å | ||
| 24 | M | 35.1 | Very low | 31.2 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | trans | -117.3 | 123.6 | 176 | -66.8 | -142.2 | -79.4 | 0 | 0 | 109.6 | ||||
| 25 | A | 28.3 | Very low | 31.4 | Very low | 70 Ų | 70 | 114 Ų | 114 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | trans | -175.2 | 107.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 26 | G | 28.9 | Very low | 31.9 | Very low | 58 Ų | 58 | 113.6 Ų | 113.6 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | trans | -95.5 | 171.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | A | 31.2 | Very low | 32.5 | Very low | 80 Ų | 80 | 115.3 Ų | 115.3 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | cis | -169.1 | -157.2 | 28.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | P | 55.5 | Low | 32.9 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | -133.7 | -161.3 | -95.1 | 37 | -13.9 | 0 | 0 | 0 | 118.5 | |||||
| 29 | L | 36 | Very low | 33.6 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | trans | 105.2 | 144.7 | 159.4 | -80.4 | 101.5 | 0 | 0 | 0 | 120.3 | ||||
| 30 | A | 40.5 | Very low | 33.9 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -172.1 | 156.9 | -17.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 31 | G | 27.7 | Very low | 34.6 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -170.7 | 111.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 32 | G | 34 | Very low | 35.2 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 94% | 0.938 | 73% | 0.728 | S | S | * | * | trans | -80 | 140.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 33 | G | 26.3 | Very low | 36 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | -176.9 | 83.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | V | 34.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 113.4 Ų | 113.4 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 3.8 | 116.5 | 152.4 | 169.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 35 | V | 33.6 | Very low | 37.1 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | 98.5 | 132.3 | 133.6 | 165.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 36 | V | 36.8 | Very low | 37.8 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | 88 | 85.5 | 171.7 | -166.7 | 0 | 0 | 0 | 0 | 116.7 | V38 | V36-V38 HydrophobicContact CG1-CG2 3.64Å; V36-V38 PolarHBondContact O-N 2.9Å; V36-V38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | E | 43 | Very low | 38.3 | Very low | 185 Ų | 185 | 120 Ų | 120 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -56.7 | 101.8 | 148.7 | -177.8 | -170.7 | 128 | 0 | 0 | 109.3 | ||||
| 38 | V | 34.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 120 Ų | 120 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | trans | -117.1 | 108.9 | 151.9 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | V36 E40 | V36-V38 HydrophobicContact CG1-CG2 3.64Å; V36-V38 PolarHBondContact O-N 2.9Å; V36-V38 VanDerWaalsContact O-N 3.13Å; V38-E40 VanDerWaalsContact C-N 3.29Å; V38-E40 PolarHBondContact O-N 3.06Å | ||
| 39 | R | 46 | Very low | 37.7 | Very low | 178 Ų | 178 | 120.7 Ų | 120.7 | 67% | 0.672 | 72% | 0.718 | S | S | * | * | trans | -52.9 | 81.6 | 176.1 | -177.7 | -176.5 | 174.9 | -102.4 | 14.6 | 111.9 | K41 | R39-K41 PolarHBondContact O-N 3.49Š| ||
| 40 | E | 38.4 | Very low | 38 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | -85.3 | 105.2 | 163.4 | -79.3 | -63.9 | 134.5 | 0 | 0 | 108.7 | V38 K42 | V38-E40 VanDerWaalsContact C-N 3.29Å; V38-E40 PolarHBondContact O-N 3.06Å; E40-K42 PolarHBondContact O-N 2.93Å | ||
| 41 | K | 42.3 | Very low | 38 | Very low | 163 Ų | 163 | 120.5 Ų | 120.5 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | -53.1 | 94.6 | 171.7 | -73.8 | -178.1 | 174.6 | -82.1 | 0 | 109.8 | R39 | R39-K41 PolarHBondContact O-N 3.49Š| ||
| 42 | K | 38.9 | Very low | 38.5 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | trans | -110.9 | 123 | 169.4 | -73.8 | 178.8 | -179.5 | 176.5 | 0 | 108.5 | E40 | E40-K42 PolarHBondContact O-N 2.93Š| ||
| 43 | G | 39.6 | Very low | 38.9 | Very low | 48 Ų | 48 | 120.5 Ų | 120.5 | 50% | 0.495 | 68% | 0.676 | S | S | . | * | trans | -62.3 | 166.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L45 R46 | G43-L45 PolarHBondContact O-N 3Å; G43-R46 PolarHBondContact O-N 2.82Å | ||
| 44 | P | 44.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -57.4 | -10.6 | -180 | 22.1 | -32.4 | 0 | 0 | 0 | 114.4 | R46 A47 | P44-R46 PolarHBondContact O-N 2.97Å; P44-A47 WeakPolarHBondContact O-CB 3.39Å; P44-A47 PolarHBondContact O-N 3.43Å; P44-A47 VanDerWaalsContact O-N 3.13Å |
| 45 | L | 39.5 | Very low | 40.3 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -68.5 | -15.7 | 169.7 | -70.4 | 167.6 | 0 | 0 | 0 | 114.1 | G43 | G43-L45 PolarHBondContact O-N 3Š|
| 46 | R | 41.9 | Very low | 41.1 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -98.9 | 1.2 | 168.8 | -101.8 | -175.4 | 178.4 | -89 | 0.4 | 113.8 | G43 P44 | G43-R46 PolarHBondContact O-N 2.82Å; P44-R46 PolarHBondContact O-N 2.97Å |
| 47 | A | 40.8 | Very low | 41.8 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -93.8 | -11.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P44 I49 | P44-A47 WeakPolarHBondContact O-CB 3.39Å; P44-A47 PolarHBondContact O-N 3.43Å; P44-A47 VanDerWaalsContact O-N 3.13Å; A47-I49 VanDerWaalsContact C-N 3.34Å |
| 48 | A | 37.4 | Very low | 42.4 | Very low | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -91 | 7.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P50 | A48-P50 VanDerWaalsContact O-CD 3.31Å; A48-P50 WeakPolarHBondContact O-CD 3.35Å |
| 49 | I | 35.8 | Very low | 43.5 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | trans | -112.2 | 93.2 | 175.4 | -51.4 | 177.2 | 0 | 0 | 0 | 107.3 | A47 T51 | A47-I49 VanDerWaalsContact C-N 3.34Å; I49-T51 HydrophobicContact CG2-CG2 3.87Å; I49-T51 PolarHBondContact O-N 3.06Å | ||
| 50 | P | 41.9 | Very low | 43.8 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | trans | -64.6 | 88.3 | 160.6 | -1.7 | 15 | 0 | 0 | 0 | 108 | A48 | A48-P50 VanDerWaalsContact O-CD 3.31Å; A48-P50 WeakPolarHBondContact O-CD 3.35Å | ||
| 51 | T | 41.8 | Very low | 44.8 | Very low | 105 Ų | 105 | 102.5 Ų | 102.5 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | trans | -68.9 | 127.3 | 151.7 | 55.4 | 0 | 0 | 0 | 0 | 105.6 | I49 | I49-T51 HydrophobicContact CG2-CG2 3.87Å; I49-T51 PolarHBondContact O-N 3.06Å | ||
| 52 | M | 37.2 | Very low | 45.4 | Very low | 108 Ų | 108 | 101.2 Ų | 101.2 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | -165.2 | 153.5 | 54 | -64.8 | -156.6 | -75.8 | 0 | 0 | 106.7 | |||||
| 53 | P | 43.3 | Very low | 46.2 | Very low | 63 Ų | 63 | 96.8 Ų | 96.8 | 41% | 0.409 | 56% | 0.557 | S | S | . | * | -141.5 | 131.8 | 54.6 | 12.8 | 15.7 | 0 | 0 | 0 | 114.8 | P55 V56 A57 | P53-P55 VanDerWaalsContact C-N 3.31Å; P53-V56 HydrophobicContact CB-CB 4.17Å; P53-V56 HydrophobicContact CB-CG2 4.06Å; P53-V56 HydrophobicContact CG-CB 3.64Å; P53-V56 HydrophobicContact CG-CG1 4.49Å; P53-V56 HydrophobicContact CG-CG2 3.57Å; P53-V56 PolarHBondContact O-N 2.99Å; P53-A57 PolarHBondContact O-N 3.41Å; P53-A57 VanDerWaalsContact O-N 3.12Å | |||
| 54 | F | 44.9 | Very low | 46.9 | Very low | 177 Ų | 177 | 96.8 Ų | 96.8 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -52.2 | -38.6 | 173.4 | -171.3 | -101.1 | 0 | 0 | 0 | 113.9 | V58 | F54-V58 WeakPolarHBondContact O-CG2 3.44Å; F54-V58 PolarHBondContact O-N 3.32Å |
| 55 | P | 44.2 | Very low | 47.5 | Very low | 81 Ų | 81 | 96.4 Ų | 96.4 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 175 | -21 | 32.5 | 0 | 0 | 0 | 114.1 | P53 V58 I59 | P53-P55 VanDerWaalsContact C-N 3.31Å; P55-V58 PolarHBondContact O-N 3.39Å; P55-I59 WeakPolarHBondContact O-CB 3.46Å; P55-I59 WeakPolarHBondContact O-CD1 3.29Å; P55-I59 WeakPolarHBondContact O-CG1 3.35Å; P55-I59 PolarHBondContact O-N 2.71Å |
| 56 | V | 50.5 | Low | 48.3 | Very low | 39 Ų | 39 | 96.4 Ų | 96.4 | 24% | 0.236 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -76.7 | -35 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | P53 V58 I59 C60 | P53-V56 HydrophobicContact CB-CB 4.17Å; P53-V56 HydrophobicContact CB-CG2 4.06Å; P53-V56 HydrophobicContact CG-CB 3.64Å; P53-V56 HydrophobicContact CG-CG1 4.49Å; P53-V56 HydrophobicContact CG-CG2 3.57Å; P53-V56 PolarHBondContact O-N 2.99Å; V56-V58 VanDerWaalsContact C-N 3.28Å; V56-V58 PolarHBondContact O-N 3.47Å; V56-I59 PolarHBondContact O-N 3.03Å; V56-C60 WeakPolarHBondContact O-CB 3.2Å; V56-C60 PolarHBondContact O-N 3.05Å |
| 57 | A | 50.6 | Low | 49.2 | Very low | 65 Ų | 65 | 92.2 Ų | 92.2 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P53 L61 | P53-A57 PolarHBondContact O-N 3.41Å; P53-A57 VanDerWaalsContact O-N 3.12Å; A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 PolarHBondContact O-N 3.28Å |
| 58 | V | 57.3 | Low | 50 | Low | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.8 | -46.5 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | F54 P55 V56 L61 F62 | F54-V58 WeakPolarHBondContact O-CG2 3.44Å; F54-V58 PolarHBondContact O-N 3.32Å; P55-V58 PolarHBondContact O-N 3.39Å; V56-V58 VanDerWaalsContact C-N 3.28Å; V56-V58 PolarHBondContact O-N 3.47Å; V58-L61 PolarHBondContact O-N 2.98Å; V58-F62 WeakPolarHBondContact O-CB 3.23Å; V58-F62 PolarHBondContact O-N 2.92Å |
| 59 | I | 56.4 | Low | 51 | Low | 92 Ų | 92 | 87 Ų | 87 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 178.7 | -67.9 | 162.3 | 0 | 0 | 0 | 111.2 | P55 V56 F62 L63 | P55-I59 WeakPolarHBondContact O-CB 3.46Å; P55-I59 WeakPolarHBondContact O-CD1 3.29Å; P55-I59 WeakPolarHBondContact O-CG1 3.35Å; P55-I59 PolarHBondContact O-N 2.71Å; V56-I59 PolarHBondContact O-N 3.03Å; I59-F62 PolarHBondContact O-N 3.42Å; I59-L63 HydrophobicContact CG2-CD1 3.56Å; I59-L63 HydrophobicContact CG2-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.4Å; I59-L63 WeakPolarHBondContact O-CG 3.35Å; I59-L63 PolarHBondContact O-N 3.44Å |
| 60 | C | 53.9 | Low | 52.1 | Low | 31 Ų | 31 | 86.2 Ų | 86.2 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 177 | -169 | 0 | 0 | 0 | 0 | 111.2 | V56 F62 L63 N64 | V56-C60 WeakPolarHBondContact O-CB 3.2Å; V56-C60 PolarHBondContact O-N 3.05Å; C60-F62 VanDerWaalsContact C-N 3.33Å; C60-F62 PolarHBondContact O-N 2.84Å; C60-L63 PolarHBondContact O-N 3.42Å; C60-N64 WeakPolarHBondContact O-CB 3.42Å; C60-N64 PolarHBondContact O-N 3.45Å |
| 61 | L | 58.7 | Low | 53.1 | Low | 127 Ų | 127 | 81.8 Ų | 81.8 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 175.7 | -168.1 | 74.5 | 0 | 0 | 0 | 111.2 | A57 V58 T65 | A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 PolarHBondContact O-N 3.28Å; V58-L61 PolarHBondContact O-N 2.98Å; L61-T65 PolarHBondContact O-N 3.11Å; L61-T65 PolarHBondContact O-OG1 3.37Å; L61-T65 VanDerWaalsContact O-OG1 3.08Å |
| 62 | F | 55.9 | Low | 54.3 | Low | 137 Ų | 137 | 77.6 Ų | 77.6 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 179.8 | -139.6 | -93.7 | 0 | 0 | 0 | 112 | V58 I59 C60 T65 F66 | V58-F62 WeakPolarHBondContact O-CB 3.23Å; V58-F62 PolarHBondContact O-N 2.92Å; I59-F62 PolarHBondContact O-N 3.42Å; C60-F62 VanDerWaalsContact C-N 3.33Å; C60-F62 PolarHBondContact O-N 2.84Å; F62-T65 PolarHBondContact O-N 3.39Å; F62-F66 HydrophobicContact CD1-CD2 4.1Å; F62-F66 AromaticContact CD1-CE2 3.94Å; F62-F66 HydrophobicContact CD1-CE2 3.94Å; F62-F66 HydrophobicContact CE1-CD2 4.22Å; F62-F66 AromaticContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CZ 4.47Å; F62-F66 HydrophobicContact CZ-CE2 4.32Å; F62-F66 WeakPolarHBondContact O-CD2 3.42Å; F62-F66 PolarHBondContact O-N 3.37Å |
| 63 | L | 55.1 | Low | 55.4 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.6 | -33.3 | -179.6 | -71.9 | 165.1 | 0 | 0 | 0 | 112.9 | I59 C60 T65 F66 I67 V74 | I59-L63 HydrophobicContact CG2-CD1 3.56Å; I59-L63 HydrophobicContact CG2-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.4Å; I59-L63 WeakPolarHBondContact O-CG 3.35Å; I59-L63 PolarHBondContact O-N 3.44Å; C60-L63 PolarHBondContact O-N 3.42Å; L63-T65 VanDerWaalsContact C-N 3.28Å; L63-T65 PolarHBondContact O-N 2.99Å; L63-F66 PolarHBondContact O-N 3.39Å; L63-I67 PolarHBondContact O-N 2.99Å; L63-I67 VanDerWaalsContact O-N 3.13Å; L63-V74 HydrophobicContact CD1-CB 4.49Å; L63-V74 HydrophobicContact CD1-CG1 4.46Å |
| 64 | N | 54.3 | Low | 56.4 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.9 | -20.8 | 178.2 | -151.8 | 21 | 0 | 0 | 0 | 112.5 | C60 G69 | C60-N64 WeakPolarHBondContact O-CB 3.42Å; C60-N64 PolarHBondContact O-N 3.45Å; N64-G69 PolarHBondContact OD1-N 3.41Å; N64-G69 VanDerWaalsContact OD1-N 3.13Å |
| 65 | T | 56.3 | Low | 57.1 | Low | 110 Ų | 110 | 69.7 Ų | 69.7 | 68% | 0.675 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -81.3 | -32.7 | 172.5 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | L61 F62 L63 | L61-T65 PolarHBondContact O-N 3.11Å; L61-T65 PolarHBondContact O-OG1 3.37Å; L61-T65 VanDerWaalsContact O-OG1 3.08Å; F62-T65 PolarHBondContact O-N 3.39Å; L63-T65 VanDerWaalsContact C-N 3.28Å; L63-T65 PolarHBondContact O-N 2.99Å |
| 66 | F | 57.2 | Low | 57.9 | Low | 161 Ų | 161 | 66.4 Ų | 66.4 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -83.4 | -39.4 | -179.1 | -89 | -89.3 | 0 | 0 | 0 | 113.5 | F62 L63 | F62-F66 HydrophobicContact CD1-CD2 4.1Å; F62-F66 AromaticContact CD1-CE2 3.94Å; F62-F66 HydrophobicContact CD1-CE2 3.94Å; F62-F66 HydrophobicContact CE1-CD2 4.22Å; F62-F66 AromaticContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CE2 3.58Å; F62-F66 HydrophobicContact CE1-CZ 4.47Å; F62-F66 HydrophobicContact CZ-CE2 4.32Å; F62-F66 WeakPolarHBondContact O-CD2 3.42Å; F62-F66 PolarHBondContact O-N 3.37Å; L63-F66 PolarHBondContact O-N 3.39Å |
| 67 | I | 59.1 | Low | 58.5 | Low | 91 Ų | 91 | 69.8 Ų | 69.8 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -142.2 | 105.3 | 175.3 | -56.7 | 176.3 | 0 | 0 | 0 | 107.6 | L63 G69 L70 | L63-I67 PolarHBondContact O-N 2.99Å; L63-I67 VanDerWaalsContact O-N 3.13Å; I67-G69 PolarHBondContact O-N 2.83Å; I67-L70 HydrophobicContact CB-CB 4.04Å; I67-L70 HydrophobicContact CB-CD1 4.2Å; I67-L70 HydrophobicContact CD1-CD1 4.09Å; I67-L70 HydrophobicContact CG2-CB 4.14Å; I67-L70 HydrophobicContact CG2-CD1 3.81Å; I67-L70 PolarHBondContact O-N 3.12Å; I67-L70 VanDerWaalsContact O-N 3.13Å |
| 68 | P | 58.4 | Low | 58.8 | Low | 56 Ų | 56 | 70.3 Ų | 70.3 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.2 | -176.4 | 22.1 | -31.8 | 0 | 0 | 0 | 110.2 | I108 A111 | P68-I108 VanDerWaalsContact O-CD1 3.23Å; P68-I108 WeakPolarHBondContact O-CD1 3.45Å; P68-A111 HydrophobicContact CB-CB 3.67Å; P68-A111 HydrophobicContact CG-CB 3.35Å |
| 69 | G | 57.9 | Low | 58.8 | Low | 3 Ų | 3 | 69.6 Ų | 69.6 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | N64 I67 | N64-G69 PolarHBondContact OD1-N 3.41Å; N64-G69 VanDerWaalsContact OD1-N 3.13Å; I67-G69 PolarHBondContact O-N 2.83Å |
| 70 | L | 58.8 | Low | 58.8 | Low | 82 Ų | 82 | 68.3 Ų | 68.3 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.5 | -34.4 | -177.9 | -142 | 125.5 | 0 | 0 | 0 | 112.4 | I67 T72 F73 V74 | I67-L70 HydrophobicContact CB-CB 4.04Å; I67-L70 HydrophobicContact CB-CD1 4.2Å; I67-L70 HydrophobicContact CD1-CD1 4.09Å; I67-L70 HydrophobicContact CG2-CB 4.14Å; I67-L70 HydrophobicContact CG2-CD1 3.81Å; I67-L70 PolarHBondContact O-N 3.12Å; I67-L70 VanDerWaalsContact O-N 3.13Å; L70-T72 VanDerWaalsContact C-N 3.34Å; L70-T72 PolarHBondContact O-N 2.85Å; L70-F73 PolarHBondContact O-N 2.9Å; L70-V74 WeakPolarHBondContact O-CG2 3.39Å; L70-V74 PolarHBondContact O-N 3.47Å |
| 71 | G | 62.6 | Low | 58.9 | Low | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S75 | G71-S75 WeakPolarHBondContact O-CB 3.3Å; G71-S75 PolarHBondContact O-N 3.38Å |
| 72 | T | 66.8 | Low | 58.6 | Low | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 178.7 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | L70 S75 A76 A103 A104 | L70-T72 VanDerWaalsContact C-N 3.34Å; L70-T72 PolarHBondContact O-N 2.85Å; T72-S75 PolarHBondContact O-N 3.43Å; T72-A76 WeakPolarHBondContact O-CB 3.07Å; T72-A76 PolarHBondContact O-N 3.13Å; T72-A103 HydrophobicContact CG2-CB 4.34Å; T72-A104 HydrophobicContact CG2-CB 4.02Å |
| 73 | F | 62.1 | Low | 58.2 | Low | 98 Ų | 98 | 63.9 Ų | 63.9 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 178.1 | -167.8 | -96.2 | 0 | 0 | 0 | 112 | L70 S75 A76 F77 M101 | L70-F73 PolarHBondContact O-N 2.9Å; F73-S75 PolarHBondContact O-N 3.13Å; F73-A76 PolarHBondContact O-N 3.03Å; F73-F77 AromaticContact CE1-CD2 3.99Å; F73-F77 HydrophobicContact CE1-CD2 3.99Å; F73-F77 HydrophobicContact CE1-CE2 4.32Å; F73-F77 HydrophobicContact CZ-CD2 4.31Å; F73-F77 HydrophobicContact CZ-CE2 4.41Å; F73-F77 PolarHBondContact O-N 3.42Å; F73-M101 HydrophobicContact CE2-CE 4.16Å; F73-M101 HydrophobicContact CE2-SD 4.3Å |
| 74 | V | 63.4 | Low | 57.6 | Low | 56 Ų | 56 | 71.6 Ų | 71.6 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.6 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | L63 L70 F77 T78 | L63-V74 HydrophobicContact CD1-CB 4.49Å; L63-V74 HydrophobicContact CD1-CG1 4.46Å; L70-V74 WeakPolarHBondContact O-CG2 3.39Å; L70-V74 PolarHBondContact O-N 3.47Å; V74-F77 PolarHBondContact O-N 3.44Å; V74-T78 WeakPolarHBondContact O-CB 3.33Å; V74-T78 PolarHBondContact O-N 2.95Å; V74-T78 PolarHBondContact O-OG1 3.26Å |
| 75 | S | 59.2 | Low | 57.1 | Low | 28 Ų | 28 | 74.4 Ų | 74.4 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 112 | G71 T72 F73 F77 T78 V79 | G71-S75 WeakPolarHBondContact O-CB 3.3Å; G71-S75 PolarHBondContact O-N 3.38Å; T72-S75 PolarHBondContact O-N 3.43Å; F73-S75 PolarHBondContact O-N 3.13Å; S75-F77 PolarHBondContact O-N 3.47Å; S75-T78 PolarHBondContact O-N 3.32Å; S75-V79 WeakPolarHBondContact O-CG2 3.13Å; S75-V79 PolarHBondContact O-N 2.88Å |
| 76 | A | 62 | Low | 56.5 | Low | 11 Ų | 11 | 77.7 Ų | 77.7 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T72 F73 V79 L80 N100 | T72-A76 WeakPolarHBondContact O-CB 3.07Å; T72-A76 PolarHBondContact O-N 3.13Å; F73-A76 PolarHBondContact O-N 3.03Å; A76-V79 PolarHBondContact O-N 2.97Å; A76-L80 WeakPolarHBondContact O-CB 3.35Å; A76-L80 PolarHBondContact O-N 3.5Å; A76-N100 HydrophobicContact CB-CB 3.63Å |
| 77 | F | 61.8 | Low | 56 | Low | 111 Ų | 111 | 77.5 Ų | 77.5 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177.2 | -132.1 | -86.8 | 0 | 0 | 0 | 112.1 | F73 V74 S75 L80 C81 | F73-F77 AromaticContact CE1-CD2 3.99Å; F73-F77 HydrophobicContact CE1-CD2 3.99Å; F73-F77 HydrophobicContact CE1-CE2 4.32Å; F73-F77 HydrophobicContact CZ-CD2 4.31Å; F73-F77 HydrophobicContact CZ-CE2 4.41Å; F73-F77 PolarHBondContact O-N 3.42Å; V74-F77 PolarHBondContact O-N 3.44Å; S75-F77 PolarHBondContact O-N 3.47Å; F77-L80 PolarHBondContact O-N 3.03Å; F77-C81 PolarHBondContact O-N 3.35Å |
| 78 | T | 58.6 | Low | 55.3 | Low | 76 Ų | 76 | 81 Ų | 81 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | V74 S75 C81 G82 | V74-T78 WeakPolarHBondContact O-CB 3.33Å; V74-T78 PolarHBondContact O-N 2.95Å; V74-T78 PolarHBondContact O-OG1 3.26Å; S75-T78 PolarHBondContact O-N 3.32Å; T78-C81 PolarHBondContact O-N 2.95Å; T78-G82 PolarHBondContact O-N 3.42Å |
| 79 | V | 56.5 | Low | 54.6 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | S75 A76 G82 A83 | S75-V79 WeakPolarHBondContact O-CG2 3.13Å; S75-V79 PolarHBondContact O-N 2.88Å; A76-V79 PolarHBondContact O-N 2.97Å; V79-G82 PolarHBondContact O-N 3.06Å; V79-A83 VanDerWaalsContact O-CB 3.29Å; V79-A83 WeakPolarHBondContact O-CB 3.5Å; V79-A83 PolarHBondContact O-N 3.32Å |
| 80 | L | 57.2 | Low | 54.3 | Low | 64 Ų | 64 | 90.1 Ų | 90.1 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 178.3 | -153.2 | 75 | 0 | 0 | 0 | 112.4 | A76 F77 R84 V93 F97 | A76-L80 WeakPolarHBondContact O-CB 3.35Å; A76-L80 PolarHBondContact O-N 3.5Å; F77-L80 PolarHBondContact O-N 3.03Å; L80-R84 WeakPolarHBondContact O-CB 3.39Å; L80-V93 HydrophobicContact CD1-CG1 3.58Å; L80-F97 HydrophobicContact CD2-CD2 4.34Å |
| 81 | C | 55.1 | Low | 53.9 | Low | 96 Ų | 96 | 97.1 Ų | 97.1 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -77.9 | -32.7 | 175.5 | -83 | 0 | 0 | 0 | 0 | 113.4 | F77 T78 | F77-C81 PolarHBondContact O-N 3.35Å; T78-C81 PolarHBondContact O-N 2.95Å |
| 82 | G | 52 | Low | 53.6 | Low | 57 Ų | 57 | 98.6 Ų | 98.6 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -80 | -27.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T78 V79 | T78-G82 PolarHBondContact O-N 3.42Å; V79-G82 PolarHBondContact O-N 3.06Å |
| 83 | A | 47.8 | Very low | 53.3 | Low | 50 Ų | 50 | 100.8 Ų | 100.8 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -96.8 | -8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V79 S85 | V79-A83 VanDerWaalsContact O-CB 3.29Å; V79-A83 WeakPolarHBondContact O-CB 3.5Å; V79-A83 PolarHBondContact O-N 3.32Å; A83-S85 PolarHBondContact O-N 3.46Å |
| 84 | R | 43.1 | Very low | 53 | Low | 220 Ų | 220 | 99.4 Ų | 99.4 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | trans | -82.9 | 46.6 | -178.5 | -162.6 | -168.6 | -176.6 | -180 | 1.8 | 112.5 | L80 | L80-R84 WeakPolarHBondContact O-CB 3.39Š| ||
| 85 | S | 44.2 | Very low | 52.8 | Low | 108 Ų | 108 | 99.6 Ų | 99.6 | 76% | 0.755 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -143.8 | 48 | 168.3 | -78.7 | 0 | 0 | 0 | 0 | 110.5 | A83 | A83-S85 PolarHBondContact O-N 3.46Š|
| 86 | E | 42.5 | Very low | 53.1 | Low | 179 Ų | 179 | 100.2 Ų | 100.2 | 84% | 0.836 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -157.7 | 133.4 | 142.3 | -117.9 | 153.3 | 67.5 | 0 | 0 | 108 | ||
| 87 | L | 46.3 | Very low | 53.3 | Low | 158 Ų | 158 | 102.9 Ų | 102.9 | 83% | 0.827 | 56% | 0.56 | S | S | * | * | trans | -56.9 | 155.8 | -173.9 | -60.7 | 104.6 | 0 | 0 | 0 | 110.2 | ||||
| 88 | I | 45.3 | Very low | 53.6 | Low | 165 Ų | 165 | 105.5 Ų | 105.5 | 85% | 0.846 | 57% | 0.567 | S | S | * | * | trans | 82.6 | 94.1 | 171.6 | -90.9 | 71.9 | 0 | 0 | 0 | 114.8 | ||||
| 89 | S | 43.7 | Very low | 54.1 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | trans | 166.9 | 61.1 | 136.2 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | R91 G92 V93 | S89-R91 PolarHBondContact O-N 2.91Å; S89-G92 PolarHBondContact O-N 3.27Å; S89-G92 VanDerWaalsContact O-N 3.11Å; S89-V93 VanDerWaalsContact O-CG2 3.23Å; S89-V93 WeakPolarHBondContact O-CG2 3.25Å | ||
| 90 | E | 51.4 | Low | 54.8 | Low | 176 Ų | 176 | 105.7 Ų | 105.7 | 82% | 0.822 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -49.7 | -25.7 | 179.5 | -69.7 | -72.5 | 111.3 | 0 | 0 | 114.1 | C94 | E90-C94 WeakPolarHBondContact O-CB 3.29Å |
| 91 | R | 50.6 | Low | 55.5 | Low | 229 Ų | 229 | 105.4 Ų | 105.4 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.4 | -28.8 | -176.2 | -150.8 | 168 | -163.1 | -133.2 | 1.2 | 114.2 | S89 | S89-R91 PolarHBondContact O-N 2.91Å |
| 92 | G | 56.3 | Low | 56.2 | Low | 33 Ų | 33 | 102.5 Ų | 102.5 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -80.1 | -41.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S89 C95 V96 | S89-G92 PolarHBondContact O-N 3.27Å; S89-G92 VanDerWaalsContact O-N 3.11Å; G92-C95 PolarHBondContact O-N 3.39Å; G92-V96 PolarHBondContact O-N 2.92Å |
| 93 | V | 59.8 | Low | 57.2 | Low | 64 Ų | 64 | 101.8 Ų | 101.8 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | -178.2 | -143.2 | 0 | 0 | 0 | 0 | 111.4 | L80 S89 C95 V96 F97 | L80-V93 HydrophobicContact CD1-CG1 3.58Å; S89-V93 VanDerWaalsContact O-CG2 3.23Å; S89-V93 WeakPolarHBondContact O-CG2 3.25Å; V93-C95 VanDerWaalsContact C-N 3.28Å; V93-C95 PolarHBondContact O-N 2.89Å; V93-V96 PolarHBondContact O-N 3.08Å; V93-F97 VanDerWaalsContact O-CB 3.25Å; V93-F97 WeakPolarHBondContact O-CB 3.31Å; V93-F97 PolarHBondContact O-N 3.13Å |
| 94 | C | 56 | Low | 58.2 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 46% | 0.459 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 177.5 | -154.6 | 0 | 0 | 0 | 0 | 111.4 | E90 W98 | E90-C94 WeakPolarHBondContact O-CB 3.29Å; C94-W98 VanDerWaalsContact O-CB 3.28Å; C94-W98 WeakPolarHBondContact O-CB 3.28Å; C94-W98 PolarHBondContact O-N 3.17Å |
| 95 | C | 60.5 | Low | 59.6 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.8 | -48.7 | 174.6 | -167 | 0 | 0 | 0 | 0 | 112 | G92 V93 F97 W98 L99 | G92-C95 PolarHBondContact O-N 3.39Å; V93-C95 VanDerWaalsContact C-N 3.28Å; V93-C95 PolarHBondContact O-N 2.89Å; C95-F97 VanDerWaalsContact C-N 3.31Å; C95-F97 PolarHBondContact O-N 3.38Å; C95-W98 PolarHBondContact O-N 2.96Å; C95-L99 WeakPolarHBondContact O-CB 3.28Å; C95-L99 VanDerWaalsContact O-CG 3.27Å; C95-L99 WeakPolarHBondContact O-CG 3.4Å; C95-L99 PolarHBondContact O-N 3.26Å |
| 96 | V | 63.7 | Low | 61.2 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 24% | 0.242 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 178.2 | 171 | 0 | 0 | 0 | 0 | 111.7 | G92 V93 N100 | G92-V96 PolarHBondContact O-N 2.92Å; V93-V96 PolarHBondContact O-N 3.08Å; V96-N100 WeakPolarHBondContact O-CB 3.49Å; V96-N100 PolarHBondContact O-N 3.23Å; V96-N100 PolarHBondContact O-ND2 3.31Å |
| 97 | F | 67.8 | Low | 62.9 | Low | 67 Ų | 67 | 89.5 Ų | 89.5 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 173.9 | 178.6 | -100.2 | 0 | 0 | 0 | 111.6 | L80 V93 C95 L99 N100 M101 | L80-F97 HydrophobicContact CD2-CD2 4.34Å; V93-F97 VanDerWaalsContact O-CB 3.25Å; V93-F97 WeakPolarHBondContact O-CB 3.31Å; V93-F97 PolarHBondContact O-N 3.13Å; C95-F97 VanDerWaalsContact C-N 3.31Å; C95-F97 PolarHBondContact O-N 3.38Å; F97-L99 PolarHBondContact O-N 3.13Å; F97-N100 PolarHBondContact O-N 3.32Å; F97-M101 HydrophobicContact CE1-CE 3.79Å; F97-M101 HydrophobicContact CE2-CE 4.28Å; F97-M101 HydrophobicContact CZ-CE 3.46Å; F97-M101 VanDerWaalsContact CZ-CE 3.46Å; F97-M101 VanDerWaalsContact O-CB 3.29Å; F97-M101 WeakPolarHBondContact O-CB 3.47Å; F97-M101 PolarHBondContact O-N 3.49Å |
| 98 | W | 66.8 | Low | 64.2 | Low | 167 Ų | 167 | 85.9 Ų | 85.9 | 63% | 0.633 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 177.2 | -102 | 99.8 | 0 | 0 | 0 | 112.8 | C94 C95 M101 A102 | C94-W98 VanDerWaalsContact O-CB 3.28Å; C94-W98 WeakPolarHBondContact O-CB 3.28Å; C94-W98 PolarHBondContact O-N 3.17Å; C95-W98 PolarHBondContact O-N 2.96Å; W98-M101 PolarHBondContact O-N 2.89Å; W98-A102 WeakPolarHBondContact O-CB 3.23Å; W98-A102 PolarHBondContact O-N 3.4Å |
| 99 | L | 69.5 | Low | 65.7 | Low | 101 Ų | 101 | 83 Ų | 83 | 53% | 0.529 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.6 | -71.5 | 173.7 | 0 | 0 | 0 | 111.6 | C95 F97 A102 A103 | C95-L99 WeakPolarHBondContact O-CB 3.28Å; C95-L99 VanDerWaalsContact O-CG 3.27Å; C95-L99 WeakPolarHBondContact O-CG 3.4Å; C95-L99 PolarHBondContact O-N 3.26Å; F97-L99 PolarHBondContact O-N 3.13Å; L99-A102 PolarHBondContact O-N 2.92Å; L99-A103 WeakPolarHBondContact O-CB 3.27Å; L99-A103 PolarHBondContact O-N 2.88Å |
| 100 | N | 71.3 | Confident | 67.4 | Low | 44 Ų | 44 | 83 Ų | 83 | 24% | 0.235 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 173.3 | -89.2 | -84.7 | 0 | 0 | 0 | 112.4 | A76 V96 F97 A103 A104 | A76-N100 HydrophobicContact CB-CB 3.63Å; V96-N100 WeakPolarHBondContact O-CB 3.49Å; V96-N100 PolarHBondContact O-N 3.23Å; V96-N100 PolarHBondContact O-ND2 3.31Å; F97-N100 PolarHBondContact O-N 3.32Å; N100-A103 PolarHBondContact O-N 3.42Å; N100-A104 WeakPolarHBondContact O-CB 3.4Å; N100-A104 PolarHBondContact O-N 2.8Å |
| 101 | M | 70.9 | Confident | 68.7 | Low | 58 Ų | 58 | 75.6 Ų | 75.6 | 29% | 0.286 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.2 | -174.3 | 72.6 | 81 | 0 | 0 | 110.7 | F73 F97 W98 A104 L105 | F73-M101 HydrophobicContact CE2-CE 4.16Å; F73-M101 HydrophobicContact CE2-SD 4.3Å; F97-M101 HydrophobicContact CE1-CE 3.79Å; F97-M101 HydrophobicContact CE2-CE 4.28Å; F97-M101 HydrophobicContact CZ-CE 3.46Å; F97-M101 VanDerWaalsContact CZ-CE 3.46Å; F97-M101 VanDerWaalsContact O-CB 3.29Å; F97-M101 WeakPolarHBondContact O-CB 3.47Å; F97-M101 PolarHBondContact O-N 3.49Å; W98-M101 PolarHBondContact O-N 2.89Å; M101-A104 PolarHBondContact O-N 3.31Å; M101-L105 HydrophobicContact CG-CD1 4.26Å; M101-L105 WeakPolarHBondContact O-CB 3.31Å; M101-L105 VanDerWaalsContact O-CG 3.31Å; M101-L105 WeakPolarHBondContact O-CG 3.32Å; M101-L105 PolarHBondContact O-N 3.2Å |
| 102 | A | 71.4 | Confident | 70.1 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W98 L99 A104 L105 I106 | W98-A102 WeakPolarHBondContact O-CB 3.23Å; W98-A102 PolarHBondContact O-N 3.4Å; L99-A102 PolarHBondContact O-N 2.92Å; A102-A104 PolarHBondContact O-N 3.48Å; A102-L105 PolarHBondContact O-N 3.5Å; A102-I106 VanDerWaalsContact O-CG1 3.27Å; A102-I106 WeakPolarHBondContact O-CG1 3.21Å; A102-I106 PolarHBondContact O-N 2.98Å |
| 103 | A | 72.2 | Confident | 71.3 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T72 L99 N100 I106 Q107 | T72-A103 HydrophobicContact CG2-CB 4.34Å; L99-A103 WeakPolarHBondContact O-CB 3.27Å; L99-A103 PolarHBondContact O-N 2.88Å; N100-A103 PolarHBondContact O-N 3.42Å; A103-I106 PolarHBondContact O-N 3.44Å; A103-Q107 WeakPolarHBondContact O-CB 3.39Å; A103-Q107 PolarHBondContact O-N 2.95Å |
| 104 | A | 69.2 | Low | 72.4 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 7% | 0.066 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T72 N100 M101 A102 Q107 I108 | T72-A104 HydrophobicContact CG2-CB 4.02Å; N100-A104 WeakPolarHBondContact O-CB 3.4Å; N100-A104 PolarHBondContact O-N 2.8Å; M101-A104 PolarHBondContact O-N 3.31Å; A102-A104 PolarHBondContact O-N 3.48Å; A104-Q107 WeakPolarHBondContact O-CB 3.4Å; A104-Q107 PolarHBondContact O-N 2.79Å; A104-I108 VanDerWaalsContact O-CG1 3.28Å; A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 2.85Å |
| 105 | L | 72.4 | Confident | 73.9 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 176.3 | -74.3 | 169.3 | 0 | 0 | 0 | 112.1 | M101 A102 Q107 I108 L109 | M101-L105 HydrophobicContact CG-CD1 4.26Å; M101-L105 WeakPolarHBondContact O-CB 3.31Å; M101-L105 VanDerWaalsContact O-CG 3.31Å; M101-L105 WeakPolarHBondContact O-CG 3.32Å; M101-L105 PolarHBondContact O-N 3.2Å; A102-L105 PolarHBondContact O-N 3.5Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.88Å; L105-I108 PolarHBondContact O-N 3.31Å; L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 PolarHBondContact O-N 2.93Å |
| 106 | I | 78.3 | Confident | 75.1 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 54% | 0.538 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.2 | -67.9 | 166.3 | 0 | 0 | 0 | 109.7 | A102 A103 I108 L109 T110 | A102-I106 VanDerWaalsContact O-CG1 3.27Å; A102-I106 WeakPolarHBondContact O-CG1 3.21Å; A102-I106 PolarHBondContact O-N 2.98Å; A103-I106 PolarHBondContact O-N 3.44Å; I106-I108 PolarHBondContact O-N 3.49Å; I106-L109 PolarHBondContact O-N 3.48Å; I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 3.23Å; I106-T110 PolarHBondContact O-OG1 2.85Å |
| 107 | Q | 76.9 | Confident | 76.2 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 179.6 | -155.9 | 79.1 | 16.9 | 0 | 0 | 112.5 | A103 A104 L105 A111 | A103-Q107 WeakPolarHBondContact O-CB 3.39Å; A103-Q107 PolarHBondContact O-N 2.95Å; A104-Q107 WeakPolarHBondContact O-CB 3.4Å; A104-Q107 PolarHBondContact O-N 2.79Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.88Å; Q107-A111 WeakPolarHBondContact O-CB 3.27Å; Q107-A111 PolarHBondContact O-N 2.96Å |
| 108 | I | 73.5 | Confident | 77.1 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.2 | -66.4 | -82 | 0 | 0 | 0 | 110.2 | P68 A104 L105 I106 T110 A111 V112 | P68-I108 VanDerWaalsContact O-CD1 3.23Å; P68-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 VanDerWaalsContact O-CG1 3.28Å; A104-I108 WeakPolarHBondContact O-CG1 3.43Å; A104-I108 PolarHBondContact O-N 2.85Å; L105-I108 PolarHBondContact O-N 3.31Å; I106-I108 PolarHBondContact O-N 3.49Å; I108-T110 PolarHBondContact O-N 3.33Å; I108-A111 PolarHBondContact O-N 2.82Å; I108-V112 WeakPolarHBondContact O-CG2 3.27Å; I108-V112 PolarHBondContact O-N 3.34Å |
| 109 | L | 77.7 | Confident | 78 | Confident | 106 Ų | 106 | 76 Ų | 76 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 179.6 | -176.6 | 65.4 | 0 | 0 | 0 | 111.2 | L105 I106 A111 V112 I113 | L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 PolarHBondContact O-N 2.93Å; I106-L109 PolarHBondContact O-N 3.48Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 3.5Å; L109-V112 PolarHBondContact O-N 3.47Å; L109-I113 HydrophobicContact CD1-CD1 4.36Å; L109-I113 HydrophobicContact CG-CD1 4.04Å; L109-I113 WeakPolarHBondContact O-CB 3.47Å; L109-I113 VanDerWaalsContact O-CG1 3.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.19Å; L109-I113 PolarHBondContact O-N 3.11Å |
| 110 | T | 78.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | I106 I108 I113 M114 | I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 3.23Å; I106-T110 PolarHBondContact O-OG1 2.85Å; I108-T110 PolarHBondContact O-N 3.33Å; T110-I113 PolarHBondContact O-N 3.45Å; T110-M114 HydrophobicContact CG2-CG 4.43Å; T110-M114 WeakPolarHBondContact O-CB 3.36Å; T110-M114 WeakPolarHBondContact O-CG 3.27Å; T110-M114 PolarHBondContact O-N 3.21Å |
| 111 | A | 78.9 | Confident | 79.4 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P68 Q107 I108 L109 I113 M114 V115 | P68-A111 HydrophobicContact CB-CB 3.67Å; P68-A111 HydrophobicContact CG-CB 3.35Å; Q107-A111 WeakPolarHBondContact O-CB 3.27Å; Q107-A111 PolarHBondContact O-N 2.96Å; I108-A111 PolarHBondContact O-N 2.82Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 3.5Å; A111-I113 VanDerWaalsContact C-N 3.34Å; A111-I113 PolarHBondContact O-N 2.95Å; A111-M114 CarbonylContact O-C 3.34Å; A111-M114 PolarHBondContact O-N 3.41Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 2.94Å |
| 112 | V | 79.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I108 L109 M114 V115 G116 | I108-V112 WeakPolarHBondContact O-CG2 3.27Å; I108-V112 PolarHBondContact O-N 3.34Å; L109-V112 PolarHBondContact O-N 3.47Å; V112-M114 VanDerWaalsContact C-N 3.34Å; V112-V115 PolarHBondContact O-N 2.76Å; V112-G116 PolarHBondContact O-N 2.89Å |
| 113 | I | 82.9 | Confident | 80.8 | Confident | 104 Ų | 104 | 88 Ų | 88 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 173.4 | -68.6 | 173 | 0 | 0 | 0 | 110.3 | L109 T110 A111 V115 G116 W117 | L109-I113 HydrophobicContact CD1-CD1 4.36Å; L109-I113 HydrophobicContact CG-CD1 4.04Å; L109-I113 WeakPolarHBondContact O-CB 3.47Å; L109-I113 VanDerWaalsContact O-CG1 3.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.19Å; L109-I113 PolarHBondContact O-N 3.11Å; T110-I113 PolarHBondContact O-N 3.45Å; A111-I113 VanDerWaalsContact C-N 3.34Å; A111-I113 PolarHBondContact O-N 2.95Å; I113-V115 PolarHBondContact O-N 3.42Å; I113-G116 PolarHBondContact O-N 3.29Å; I113-W117 VanDerWaalsContact O-CB 3.23Å; I113-W117 WeakPolarHBondContact O-CB 3.19Å; I113-W117 PolarHBondContact O-N 3.3Å |
| 114 | M | 82.7 | Confident | 81.4 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.5 | -4 | 176 | -84.9 | -74.7 | 179.3 | 0 | 0 | 114.4 | T110 A111 V112 W117 | T110-M114 HydrophobicContact CG2-CG 4.43Å; T110-M114 WeakPolarHBondContact O-CB 3.36Å; T110-M114 WeakPolarHBondContact O-CG 3.27Å; T110-M114 PolarHBondContact O-N 3.21Å; A111-M114 CarbonylContact O-C 3.34Å; A111-M114 PolarHBondContact O-N 3.41Å; V112-M114 VanDerWaalsContact C-N 3.34Å; M114-W117 HydrophobicContact CE-CH2 4.11Å; M114-W117 HydrophobicContact CE-CZ2 4.01Å; M114-W117 PolarHBondContact O-NE1 2.6Å; M114-W117 HydrophobicContact SD-CD2 3.99Å; M114-W117 HydrophobicContact SD-CH2 3.9Å; M114-W117 HydrophobicContact SD-CZ2 3.19Å; M114-W117 WeakPolarHBondContact SD-CZ2 3.32Å; M114-W117 PolarHBondContact SD-NE1 3.4Å; M114-W117 VanDerWaalsContact SD-NE1 3.4Å |
| 115 | V | 86.1 | Confident | 82.1 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -106 | -42.3 | 167.7 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | A111 V112 I113 W117 I118 M119 | A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 2.94Å; V112-V115 PolarHBondContact O-N 2.76Å; I113-V115 PolarHBondContact O-N 3.42Å; V115-W117 PolarHBondContact O-N 3.46Å; V115-I118 PolarHBondContact O-N 2.77Å; V115-M119 PolarHBondContact O-N 2.81Å; V115-M119 VanDerWaalsContact O-N 3.11Å |
| 116 | G | 86.1 | Confident | 82.5 | Confident | 40 Ų | 40 | 91.4 Ų | 91.4 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V112 I113 M119 S120 | V112-G116 PolarHBondContact O-N 2.89Å; I113-G116 PolarHBondContact O-N 3.29Å; G116-M119 PolarHBondContact O-N 3.01Å; G116-S120 WeakPolarHBondContact O-CB 3.35Å; G116-S120 PolarHBondContact O-N 3.25Å |
| 117 | W | 88.1 | Confident | 82.8 | Confident | 127 Ų | 127 | 93 Ų | 93 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.6 | 77.4 | -41.5 | 0 | 0 | 0 | 112.3 | I113 M114 V115 S120 I121 | I113-W117 VanDerWaalsContact O-CB 3.23Å; I113-W117 WeakPolarHBondContact O-CB 3.19Å; I113-W117 PolarHBondContact O-N 3.3Å; M114-W117 HydrophobicContact CE-CH2 4.11Å; M114-W117 HydrophobicContact CE-CZ2 4.01Å; M114-W117 PolarHBondContact O-NE1 2.6Å; M114-W117 HydrophobicContact SD-CD2 3.99Å; M114-W117 HydrophobicContact SD-CH2 3.9Å; M114-W117 HydrophobicContact SD-CZ2 3.19Å; M114-W117 WeakPolarHBondContact SD-CZ2 3.32Å; M114-W117 PolarHBondContact SD-NE1 3.4Å; M114-W117 VanDerWaalsContact SD-NE1 3.4Å; V115-W117 PolarHBondContact O-N 3.46Å; W117-S120 WeakPolarHBondContact O-CB 3.5Å; W117-S120 PolarHBondContact O-N 2.96Å; W117-I121 VanDerWaalsContact O-CG1 3.32Å; W117-I121 WeakPolarHBondContact O-CG1 3.25Å; W117-I121 PolarHBondContact O-N 3.23Å |
| 118 | I | 86.5 | Confident | 83 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 178.5 | -79 | 157.1 | 0 | 0 | 0 | 109.2 | V115 S120 I121 F122 | V115-I118 PolarHBondContact O-N 2.77Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 3.32Å; I118-I121 PolarHBondContact O-N 3.4Å; I118-F122 HydrophobicContact CG2-CD2 3.65Å; I118-F122 HydrophobicContact CG2-CE2 3.24Å; I118-F122 HydrophobicContact CG2-CZ 4.15Å; I118-F122 VanDerWaalsContact O-CD2 3.25Å; I118-F122 WeakPolarHBondContact O-CD2 3.4Å; I118-F122 PolarHBondContact O-N 3.44Å |
| 119 | M | 85.6 | Confident | 83.3 | Confident | 108 Ų | 108 | 94.5 Ų | 94.5 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 172.4 | -73.6 | -63.3 | -165.7 | 0 | 0 | 111.7 | V115 G116 I121 F122 W123 | V115-M119 PolarHBondContact O-N 2.81Å; V115-M119 VanDerWaalsContact O-N 3.11Å; G116-M119 PolarHBondContact O-N 3.01Å; M119-I121 VanDerWaalsContact C-N 3.32Å; M119-I121 PolarHBondContact O-N 2.98Å; M119-F122 PolarHBondContact O-N 3.22Å; M119-W123 WeakPolarHBondContact O-CB 3.35Å; M119-W123 PolarHBondContact O-N 3.4Å |
| 120 | S | 84.3 | Confident | 83.3 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | G116 W117 I118 G124 | G116-S120 WeakPolarHBondContact O-CB 3.35Å; G116-S120 PolarHBondContact O-N 3.25Å; W117-S120 WeakPolarHBondContact O-CB 3.5Å; W117-S120 PolarHBondContact O-N 2.96Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 3.32Å; S120-G124 PolarHBondContact O-N 3.24Å |
| 121 | I | 85 | Confident | 83 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.2 | -63.7 | -78.9 | 0 | 0 | 0 | 110.9 | W117 I118 M119 G124 M125 | W117-I121 VanDerWaalsContact O-CG1 3.32Å; W117-I121 WeakPolarHBondContact O-CG1 3.25Å; W117-I121 PolarHBondContact O-N 3.23Å; I118-I121 PolarHBondContact O-N 3.4Å; M119-I121 VanDerWaalsContact C-N 3.32Å; M119-I121 PolarHBondContact O-N 2.98Å; I121-G124 PolarHBondContact O-N 3.41Å; I121-M125 HydrophobicContact CG2-SD 4.26Å; I121-M125 WeakPolarHBondContact O-CG 3.36Å; I121-M125 PolarHBondContact O-N 2.9Å |
| 122 | F | 86.1 | Confident | 82.6 | Confident | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.544 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | -180 | -72 | -48.7 | 0 | 0 | 0 | 112.8 | I118 M119 G124 M125 D126 | I118-F122 HydrophobicContact CG2-CD2 3.65Å; I118-F122 HydrophobicContact CG2-CE2 3.24Å; I118-F122 HydrophobicContact CG2-CZ 4.15Å; I118-F122 VanDerWaalsContact O-CD2 3.25Å; I118-F122 WeakPolarHBondContact O-CD2 3.4Å; I118-F122 PolarHBondContact O-N 3.44Å; M119-F122 PolarHBondContact O-N 3.22Å; F122-G124 VanDerWaalsContact C-N 3.33Å; F122-M125 PolarHBondContact O-N 2.9Å; F122-D126 WeakPolarHBondContact O-CB 3.23Å; F122-D126 PolarHBondContact O-N 2.82Å |
| 123 | W | 85.9 | Confident | 81.4 | Confident | 176 Ų | 176 | 105.2 Ų | 105.2 | 67% | 0.667 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.5 | -37.2 | 173.6 | -83.7 | 77.8 | 0 | 0 | 0 | 112.1 | M119 D126 M127 | M119-W123 WeakPolarHBondContact O-CB 3.35Å; M119-W123 PolarHBondContact O-N 3.4Å; W123-D126 PolarHBondContact O-N 3.35Å; W123-M127 PolarHBondContact O-N 2.9Å; W123-M127 VanDerWaalsContact O-N 3.09Å |
| 124 | G | 85.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 105.3 Ų | 105.3 | 37% | 0.371 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S120 I121 F122 V128 | S120-G124 PolarHBondContact O-N 3.24Å; I121-G124 PolarHBondContact O-N 3.41Å; F122-G124 VanDerWaalsContact C-N 3.33Å; G124-V128 VanDerWaalsContact O-CG2 3.32Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.97Å |
| 125 | M | 83.7 | Confident | 81.2 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -40.5 | 175.2 | -72.6 | 178.7 | 56.1 | 0 | 0 | 112.5 | I121 F122 V128 I129 | I121-M125 HydrophobicContact CG2-SD 4.26Å; I121-M125 WeakPolarHBondContact O-CG 3.36Å; I121-M125 PolarHBondContact O-N 2.9Å; F122-M125 PolarHBondContact O-N 2.9Å; M125-V128 PolarHBondContact O-N 3.24Å; M125-I129 WeakPolarHBondContact O-CG1 3.43Å; M125-I129 PolarHBondContact O-N 2.96Å |
| 126 | D | 80.8 | Confident | 81 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -45 | 178.4 | -169.3 | -102.1 | 0 | 0 | 0 | 111.9 | F122 W123 V128 I129 L130 | F122-D126 WeakPolarHBondContact O-CB 3.23Å; F122-D126 PolarHBondContact O-N 2.82Å; W123-D126 PolarHBondContact O-N 3.35Å; D126-V128 VanDerWaalsContact C-N 3.3Å; D126-V128 PolarHBondContact O-N 3.09Å; D126-I129 PolarHBondContact O-N 3.23Å; D126-L130 WeakPolarHBondContact O-CD1 3.32Å; D126-L130 PolarHBondContact O-N 3.26Å |
| 127 | M | 83.3 | Confident | 80.7 | Confident | 137 Ų | 137 | 110.2 Ų | 110.2 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.8 | -38.6 | 173.8 | -78.2 | -161.5 | 177.5 | 0 | 0 | 112.8 | W123 A131 | W123-M127 PolarHBondContact O-N 2.9Å; W123-M127 VanDerWaalsContact O-N 3.09Å; M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 3.38Å; M127-A131 VanDerWaalsContact O-N 3.07Å |
| 128 | V | 82.4 | Confident | 80.2 | Confident | 92 Ų | 92 | 109.2 Ų | 109.2 | 56% | 0.558 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.8 | -40.4 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | G124 M125 D126 A131 S132 | G124-V128 VanDerWaalsContact O-CG2 3.32Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.97Å; M125-V128 PolarHBondContact O-N 3.24Å; D126-V128 VanDerWaalsContact C-N 3.3Å; D126-V128 PolarHBondContact O-N 3.09Å; V128-A131 PolarHBondContact O-N 3.31Å; V128-S132 PolarHBondContact O-N 3.1Å; V128-S132 PolarHBondContact O-OG 3.42Å |
| 129 | I | 78.6 | Confident | 79.8 | Confident | 102 Ų | 102 | 111.5 Ų | 111.5 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.6 | -43.6 | 177.8 | -69.3 | 167.1 | 0 | 0 | 0 | 110.9 | M125 D126 A131 S132 Q133 | M125-I129 WeakPolarHBondContact O-CG1 3.43Å; M125-I129 PolarHBondContact O-N 2.96Å; D126-I129 PolarHBondContact O-N 3.23Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 2.68Å; I129-S132 PolarHBondContact O-N 3.19Å; I129-S132 VanDerWaalsContact O-N 3.1Å; I129-Q133 PolarHBondContact O-N 3.07Å |
| 130 | L | 77.9 | Confident | 79.4 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.8 | -37.5 | 175 | -100.5 | 91.4 | 0 | 0 | 0 | 112.7 | D126 S132 | D126-L130 WeakPolarHBondContact O-CD1 3.32Å; D126-L130 PolarHBondContact O-N 3.26Å; L130-S132 PolarHBondContact O-N 3.38Å |
| 131 | A | 73.5 | Confident | 79 | Confident | 85 Ų | 85 | 113.9 Ų | 113.9 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.5 | -14.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M127 V128 I129 | M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 3.38Å; M127-A131 VanDerWaalsContact O-N 3.07Å; V128-A131 PolarHBondContact O-N 3.31Å; I129-A131 VanDerWaalsContact C-N 3.3Å; I129-A131 PolarHBondContact O-N 2.68Å |
| 132 | S | 69.6 | Low | 78.5 | Confident | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -96.9 | -8.9 | -179.6 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | V128 I129 L130 | V128-S132 PolarHBondContact O-N 3.1Å; V128-S132 PolarHBondContact O-OG 3.42Å; I129-S132 PolarHBondContact O-N 3.19Å; I129-S132 VanDerWaalsContact O-N 3.1Å; L130-S132 PolarHBondContact O-N 3.38Å |
| 133 | Q | 54.2 | Low | 77.8 | Confident | 224 Ų | 224 | 113.8 Ų | 113.8 | 100% | 1.047 | 62% | 0.617 | S | S | * | * | trans | -90.5 | 0 | 168.3 | -86 | -167.3 | -20.2 | 0 | 0 | 110.7 | I129 | I129-Q133 PolarHBondContact O-N 3.07Š|
Retrieved 133 of 133 residues in 121.9 ms
(Link to these results)