| 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 | 38.3 | Very low | 36.7 | Very low | 229 Ų | 229 | 158.3 Ų | 158.3 | 100% | 1.128 | 83% | 0.829 | S | S | * | * | 0 | 82 | 0 | -59.4 | -74.8 | -179.9 | 0 | 0 | 106.2 | |||||
| 2 | L | 39.8 | Very low | 36.5 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | 45 | 114.6 | 103.4 | -64.9 | 168.1 | 0 | 0 | 0 | 110.4 | |||||
| 3 | N | 29.8 | Very low | 37.2 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | -168.3 | 150.9 | 70.4 | -167 | 16.6 | 0 | 0 | 0 | 112.7 | |||||
| 4 | K | 40.7 | Very low | 38.1 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -79 | 167.3 | 172 | -79.9 | 178.3 | 166.5 | 176 | 0 | 111.6 | ||||
| 5 | S | 37.2 | Very low | 38.8 | Very low | 118 Ų | 118 | 155 Ų | 155 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | 75.6 | 133.2 | 140.9 | 61.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 6 | G | 35 | Very low | 39.1 | Very low | 75 Ų | 75 | 152.9 Ų | 152.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 139.8 | 69.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 7 | E | 39.3 | Very low | 39.5 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | 1.9 | 125.9 | 140.8 | -154.5 | 141.6 | 93.9 | 0 | 0 | 119.1 | ||||
| 8 | S | 28.7 | Very low | 39.4 | Very low | 91 Ų | 91 | 150.6 Ų | 150.6 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | trans | -174.5 | 112.6 | 149.1 | 166.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 9 | R | 35.1 | Very low | 39.1 | Very low | 206 Ų | 206 | 146.4 Ų | 146.4 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | 59.7 | 107.8 | 137 | -58.4 | 174.6 | -150.7 | 167.4 | 8.9 | 119.7 | ||||
| 10 | Y | 32.4 | Very low | 38.9 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 79% | 0.788 | 83% | 0.828 | S | S | * | * | trans | -7.6 | 159.7 | 150.9 | 55.4 | -99.4 | 0 | 0 | 0 | 119.2 | ||||
| 11 | P | 47 | Very low | 38.7 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | -142.8 | 158.9 | 26.3 | 37.6 | -16.9 | 0 | 0 | 0 | 117.5 | ||||
| 12 | A | 35.3 | Very low | 38.8 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -159.9 | 95.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 13 | L | 44.7 | Very low | 38.7 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | 39.2 | 114.7 | 137.4 | -62.8 | 151.2 | 0 | 0 | 0 | 120.1 | ||||
| 14 | F | 50 | Low | 39.1 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -121.9 | 156 | 167.3 | -82.7 | -83 | 0 | 0 | 0 | 111.1 | ||||
| 15 | P | 49.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | -147.5 | 135.1 | 98.4 | 34.2 | -15.4 | 0 | 0 | 0 | 114.6 | |||||
| 16 | V | 43.8 | Very low | 39.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | 73 | 103.6 | 80.3 | -173 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 17 | L | 45.1 | Very low | 39.6 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | 26.2 | 135.9 | 143 | -64.8 | 163.3 | 0 | 0 | 0 | 125.3 | ||||
| 18 | G | 37.7 | Very low | 39.9 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 145 | 125.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 19 | G | 34.6 | Very low | 40.8 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 116.7 | 115.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 20 | S | 34.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 55.2 | 140.7 | 146.9 | 51 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 21 | S | 33.8 | Very low | 42.1 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | cis | -172.2 | 135.9 | 9.9 | 37.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 22 | M | 40.4 | Very low | 42.3 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 94% | 0.941 | 80% | 0.802 | S | S | * | * | trans | -94.8 | 128.7 | 178.2 | -60.5 | -173.5 | 77.2 | 0 | 0 | 110.9 | ||||
| 23 | S | 37.2 | Very low | 43.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -123 | 104.6 | 168.3 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 24 | S | 38.3 | Very low | 43.5 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -114.1 | 113.9 | 171.5 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | F26 | S24-F26 PolarHBondContact O-N 3.43Š| ||
| 25 | D | 45.3 | Very low | 43.7 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -57.7 | 118.9 | 167.2 | -67.9 | -73.9 | 0 | 0 | 0 | 110.5 | ||||
| 26 | F | 37 | Very low | 43.9 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | trans | -133.3 | 134.1 | 166 | -114.6 | -92.5 | 0 | 0 | 0 | 109.3 | S24 H28 | S24-F26 PolarHBondContact O-N 3.43Å; F26-H28 PolarHBondContact O-N 3.2Å | ||
| 27 | P | 42.5 | Very low | 44.3 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 126.6 | -175.7 | 24.4 | -31.8 | 0 | 0 | 0 | 111.8 | Y29 | P27-Y29 PolarHBondContact O-N 3.49Š| ||
| 28 | H | 44.8 | Very low | 44.7 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 80.6 | -177.9 | -150.8 | -90.5 | 0 | 0 | 0 | 110.7 | F26 N30 | F26-H28 PolarHBondContact O-N 3.2Å; H28-N30 PolarHBondContact ND1-ND2 2.9Å; H28-N30 PolarHBondContact O-N 2.83Å | ||
| 29 | Y | 47.2 | Very low | 45.5 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -70.5 | 102.4 | 162.8 | 68.2 | -83.4 | 0 | 0 | 0 | 107.3 | P27 F31 | P27-Y29 PolarHBondContact O-N 3.49Å; Y29-F31 HydrophobicContact CD2-CB 4.05Å; Y29-F31 HydrophobicContact CD2-CD2 4.43Å; Y29-F31 HydrophobicContact CE2-CB 4.06Å; Y29-F31 HydrophobicContact CE2-CD2 4.48Å; Y29-F31 PolarHBondContact O-N 3.04Å | ||
| 30 | N | 49.8 | Very low | 46.4 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -64.2 | 89 | 168.7 | -89 | -66.1 | 0 | 0 | 0 | 108.2 | H28 R32 | H28-N30 PolarHBondContact ND1-ND2 2.9Å; H28-N30 PolarHBondContact O-N 2.83Å; N30-R32 PolarHBondContact O-N 2.87Å | ||
| 31 | F | 45.3 | Very low | 47.4 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | -73.4 | 70.9 | 164 | -151.8 | -91.4 | 0 | 0 | 0 | 108 | Y29 M33 | Y29-F31 HydrophobicContact CD2-CB 4.05Å; Y29-F31 HydrophobicContact CD2-CD2 4.43Å; Y29-F31 HydrophobicContact CE2-CB 4.06Å; Y29-F31 HydrophobicContact CE2-CD2 4.48Å; Y29-F31 PolarHBondContact O-N 3.04Å; F31-M33 VanDerWaalsContact C-N 3.25Å; F31-M33 HydrophobicContact CD1-CE 3.86Å; F31-M33 HydrophobicContact CD1-CG 3.69Å; F31-M33 HydrophobicContact CE1-CE 3.83Å; F31-M33 HydrophobicContact CE1-CG 3.89Å; F31-M33 PolarHBondContact O-N 3.38Å | ||
| 32 | R | 51.7 | Low | 49.1 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -72.2 | 91.8 | 169.2 | -169.4 | 161.5 | -171.2 | 171.2 | 0.9 | 106.5 | N30 | N30-R32 PolarHBondContact O-N 2.87Š| ||
| 33 | M | 52.2 | Low | 50.8 | Low | 137 Ų | 137 | 136.7 Ų | 136.7 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | trans | -52.7 | 126.7 | 164.5 | -61.3 | -169.6 | 169.6 | 0 | 0 | 107.1 | F31 N35 | F31-M33 VanDerWaalsContact C-N 3.25Å; F31-M33 HydrophobicContact CD1-CE 3.86Å; F31-M33 HydrophobicContact CD1-CG 3.69Å; F31-M33 HydrophobicContact CE1-CE 3.83Å; F31-M33 HydrophobicContact CE1-CG 3.89Å; F31-M33 PolarHBondContact O-N 3.38Å; M33-N35 PolarHBondContact O-N 3.22Å | ||
| 34 | P | 53 | Low | 52.7 | Low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -56 | 128.3 | 167.1 | -16.7 | 29 | 0 | 0 | 0 | 106.2 | I36 | P34-I36 WeakPolarHBondContact O-CG1 3.2Å; P34-I36 PolarHBondContact O-N 2.88Å | ||
| 35 | N | 53.5 | Low | 54.9 | Low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | -65.7 | 89.1 | 171 | -171 | -53.8 | 0 | 0 | 0 | 106.5 | M33 G37 | M33-N35 PolarHBondContact O-N 3.22Å; N35-G37 PolarHBondContact O-N 3.06Å | ||
| 36 | I | 54.6 | Low | 56.8 | Low | 120 Ų | 120 | 134.6 Ų | 134.6 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | trans | -69.3 | 103.3 | 173.6 | -37.4 | 176.2 | 0 | 0 | 0 | 104.2 | P34 F38 | P34-I36 WeakPolarHBondContact O-CG1 3.2Å; P34-I36 PolarHBondContact O-N 2.88Å; I36-F38 WeakPolarHBondContact O-CD2 3.4Å; I36-F38 PolarHBondContact O-N 3.32Å | ||
| 37 | G | 52 | Low | 59.2 | Low | 47 Ų | 47 | 130.6 Ų | 130.6 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | trans | -47.3 | 112.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112 | N35 Q39 | N35-G37 PolarHBondContact O-N 3.06Å; G37-Q39 PolarHBondContact O-N 3.13Å | ||
| 38 | F | 52.8 | Low | 61.4 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 75% | 0.746 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 5.7 | 179.1 | -83.6 | -92.3 | 0 | 0 | 0 | 114.6 | I36 | I36-F38 WeakPolarHBondContact O-CD2 3.4Å; I36-F38 PolarHBondContact O-N 3.32Å |
| 39 | Q | 55.2 | Low | 63.7 | Low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -11.2 | -168.9 | -65.3 | -178.1 | -16.6 | 0 | 0 | 114.2 | G37 | G37-Q39 PolarHBondContact O-N 3.13Š|
| 40 | N | 53.8 | Low | 65.9 | Low | 143 Ų | 143 | 121.1 Ų | 121.1 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -124.2 | 4.9 | 171.1 | -68.8 | -61.4 | 0 | 0 | 0 | 113.9 | ||
| 41 | L | 56 | Low | 68 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 45% | 0.445 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.9 | -8.8 | 163.6 | -110.7 | 67.4 | 0 | 0 | 0 | 116.5 | I45 | L41-I45 HydrophobicContact CG-CD1 4.22Å; L41-I45 WeakPolarHBondContact O-CD1 3.17Å; L41-I45 WeakPolarHBondContact O-CG1 3.09Å |
| 42 | P | 69.4 | Low | 70.4 | Confident | 83 Ų | 83 | 113 Ų | 113 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -89 | -21.4 | -173.3 | 32.2 | -31.1 | 0 | 0 | 0 | 115.5 | Y46 | P42-Y46 VanDerWaalsContact O-CB 3.28Å; P42-Y46 WeakPolarHBondContact O-CB 3.2Å |
| 43 | L | 76.2 | Confident | 72.5 | Confident | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -92.8 | -44.7 | -174.1 | -149.3 | 96.8 | 0 | 0 | 0 | 113.7 | I45 Y46 I47 | L43-I45 PolarHBondContact O-N 3.05Å; L43-Y46 WeakPolarHBondContact O-CB 3.42Å; L43-Y46 PolarHBondContact O-N 3.26Å; L43-I47 HydrophobicContact CD2-CD1 3.88Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.37Å |
| 44 | N | 76.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 103 Ų | 103 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.8 | -40.1 | -178.1 | -68.6 | -20.2 | 0 | 0 | 0 | 111.8 | I47 V48 | N44-I47 PolarHBondContact O-N 2.89Å; N44-V48 VanDerWaalsContact O-CG2 3.32Å; N44-V48 WeakPolarHBondContact O-CG2 3.39Å; N44-V48 PolarHBondContact O-N 2.92Å; N44-V48 VanDerWaalsContact O-N 3.09Å |
| 45 | I | 84.2 | Confident | 76.7 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -42 | 175.9 | -60.4 | 179.7 | 0 | 0 | 0 | 109.9 | L41 L43 V48 V49 | L41-I45 HydrophobicContact CG-CD1 4.22Å; L41-I45 WeakPolarHBondContact O-CD1 3.17Å; L41-I45 WeakPolarHBondContact O-CG1 3.09Å; L43-I45 PolarHBondContact O-N 3.05Å; I45-V48 PolarHBondContact O-N 3.31Å; I45-V49 HydrophobicContact CG2-CG2 4.23Å; I45-V49 WeakPolarHBondContact O-CB 3.48Å; I45-V49 VanDerWaalsContact O-CG2 3.27Å; I45-V49 WeakPolarHBondContact O-CG2 3.18Å; I45-V49 PolarHBondContact O-N 2.9Å |
| 46 | Y | 85.8 | Confident | 78.8 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 50% | 0.502 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.6 | -48.2 | 174.2 | -175.7 | -81.9 | 0 | 0 | 0 | 111.3 | P42 L43 V48 V49 F50 | P42-Y46 VanDerWaalsContact O-CB 3.28Å; P42-Y46 WeakPolarHBondContact O-CB 3.2Å; L43-Y46 WeakPolarHBondContact O-CB 3.42Å; L43-Y46 PolarHBondContact O-N 3.26Å; Y46-V48 VanDerWaalsContact C-N 3.27Å; Y46-V48 PolarHBondContact O-N 2.87Å; Y46-V49 PolarHBondContact O-N 3.11Å; Y46-F50 HydrophobicContact CD1-CB 4.49Å; Y46-F50 AromaticContact CD1-CD2 3.52Å; Y46-F50 HydrophobicContact CD1-CD2 3.52Å; Y46-F50 AromaticContact CD1-CE2 4Å; Y46-F50 HydrophobicContact CD1-CE2 4Å; Y46-F50 HydrophobicContact CD1-CG 4.04Å; Y46-F50 AromaticContact CD2-CD2 3.53Å; Y46-F50 HydrophobicContact CD2-CD2 3.53Å; Y46-F50 AromaticContact CD2-CE2 3.16Å; Y46-F50 HydrophobicContact CD2-CE2 3.16Å; Y46-F50 HydrophobicContact CD2-CZ 4.01Å; Y46-F50 HydrophobicContact CE1-CB 4.32Å; Y46-F50 HydrophobicContact CE1-CD1 4.1Å; Y46-F50 AromaticContact CE1-CD2 3.42Å; Y46-F50 HydrophobicContact CE1-CD2 3.42Å; Y46-F50 VanDerWaalsContact CE1-CD2 3.42Å; Y46-F50 HydrophobicContact CE1-CE1 4.31Å; Y46-F50 AromaticContact CE1-CE2 3.72Å; Y46-F50 HydrophobicContact CE1-CE2 3.72Å; Y46-F50 AromaticContact CE1-CG 3.64Å; Y46-F50 HydrophobicContact CE1-CG 3.64Å; Y46-F50 HydrophobicContact CE1-CZ 4.13Å; Y46-F50 AromaticContact CE2-CD2 3.48Å; Y46-F50 HydrophobicContact CE2-CD2 3.48Å; Y46-F50 VanDerWaalsContact CE2-CD2 3.48Å; Y46-F50 HydrophobicContact CE2-CE1 4.11Å; Y46-F50 AromaticContact CE2-CE2 2.85Å; Y46-F50 HydrophobicContact CE2-CE2 2.85Å; Y46-F50 HydrophobicContact CE2-CG 4.33Å; Y46-F50 AromaticContact CE2-CZ 3.22Å; Y46-F50 HydrophobicContact CE2-CZ 3.22Å; Y46-F50 AromaticContact CG-CD2 3.55Å; Y46-F50 HydrophobicContact CG-CD2 3.55Å; Y46-F50 AromaticContact CG-CE2 3.73Å; Y46-F50 HydrophobicContact CG-CE2 3.73Å; Y46-F50 HydrophobicContact CG-CG 4.5Å; Y46-F50 AromaticContact CZ-CD1 3.92Å; Y46-F50 AromaticContact CZ-CD2 3.38Å; Y46-F50 AromaticContact CZ-CE1 3.66Å; Y46-F50 AromaticContact CZ-CE2 3.13Å; Y46-F50 AromaticContact CZ-CG 3.79Å; Y46-F50 AromaticContact CZ-CZ 3.25Å; Y46-F50 WeakPolarHBondContact O-CB 3.33Å; Y46-F50 WeakPolarHBondContact O-CD2 3.48Å; Y46-F50 PolarHBondContact O-N 3.36Å; Y46-F50 VanDerWaalsContact OH-CE1 3.27Å; Y46-F50 WeakPolarHBondContact OH-CE1 3.33Å; Y46-F50 WeakPolarHBondContact OH-CZ 3.44Å |
| 47 | I | 86.4 | Confident | 80.8 | Confident | 98 Ų | 98 | 102 Ų | 102 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 179.2 | -67.1 | 161.8 | 0 | 0 | 0 | 111.5 | L43 N44 G51 | L43-I47 HydrophobicContact CD2-CD1 3.88Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.37Å; N44-I47 PolarHBondContact O-N 2.89Å; I47-G51 WeakPolarHBondContact O-CA 3.29Å; I47-G51 PolarHBondContact O-N 2.73Å |
| 48 | V | 89.7 | Confident | 83 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70 | -45.1 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | N44 I45 Y46 G51 T52 | N44-V48 VanDerWaalsContact O-CG2 3.32Å; N44-V48 WeakPolarHBondContact O-CG2 3.39Å; N44-V48 PolarHBondContact O-N 2.92Å; N44-V48 VanDerWaalsContact O-N 3.09Å; I45-V48 PolarHBondContact O-N 3.31Å; Y46-V48 VanDerWaalsContact C-N 3.27Å; Y46-V48 PolarHBondContact O-N 2.87Å; V48-G51 PolarHBondContact O-N 3.14Å; V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 VanDerWaalsContact O-CG2 3.31Å; V48-T52 WeakPolarHBondContact O-CG2 3.49Å; V48-T52 PolarHBondContact O-N 3.44Å; V48-T52 PolarHBondContact O-OG1 3.39Å |
| 49 | V | 91.6 | Very high | 85 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | -179.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | I45 Y46 T52 A53 | I45-V49 HydrophobicContact CG2-CG2 4.23Å; I45-V49 WeakPolarHBondContact O-CB 3.48Å; I45-V49 VanDerWaalsContact O-CG2 3.27Å; I45-V49 WeakPolarHBondContact O-CG2 3.18Å; I45-V49 PolarHBondContact O-N 2.9Å; Y46-V49 PolarHBondContact O-N 3.11Å; V49-T52 PolarHBondContact O-OG1 3.24Å; V49-A53 VanDerWaalsContact O-CB 3.31Å; V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 3.25Å |
| 50 | F | 94 | Very high | 87 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 177 | -80.5 | -97.4 | 0 | 0 | 0 | 111.6 | Y46 A53 I54 | Y46-F50 HydrophobicContact CD1-CB 4.49Å; Y46-F50 AromaticContact CD1-CD2 3.52Å; Y46-F50 HydrophobicContact CD1-CD2 3.52Å; Y46-F50 AromaticContact CD1-CE2 4Å; Y46-F50 HydrophobicContact CD1-CE2 4Å; Y46-F50 HydrophobicContact CD1-CG 4.04Å; Y46-F50 AromaticContact CD2-CD2 3.53Å; Y46-F50 HydrophobicContact CD2-CD2 3.53Å; Y46-F50 AromaticContact CD2-CE2 3.16Å; Y46-F50 HydrophobicContact CD2-CE2 3.16Å; Y46-F50 HydrophobicContact CD2-CZ 4.01Å; Y46-F50 HydrophobicContact CE1-CB 4.32Å; Y46-F50 HydrophobicContact CE1-CD1 4.1Å; Y46-F50 AromaticContact CE1-CD2 3.42Å; Y46-F50 HydrophobicContact CE1-CD2 3.42Å; Y46-F50 VanDerWaalsContact CE1-CD2 3.42Å; Y46-F50 HydrophobicContact CE1-CE1 4.31Å; Y46-F50 AromaticContact CE1-CE2 3.72Å; Y46-F50 HydrophobicContact CE1-CE2 3.72Å; Y46-F50 AromaticContact CE1-CG 3.64Å; Y46-F50 HydrophobicContact CE1-CG 3.64Å; Y46-F50 HydrophobicContact CE1-CZ 4.13Å; Y46-F50 AromaticContact CE2-CD2 3.48Å; Y46-F50 HydrophobicContact CE2-CD2 3.48Å; Y46-F50 VanDerWaalsContact CE2-CD2 3.48Å; Y46-F50 HydrophobicContact CE2-CE1 4.11Å; Y46-F50 AromaticContact CE2-CE2 2.85Å; Y46-F50 HydrophobicContact CE2-CE2 2.85Å; Y46-F50 HydrophobicContact CE2-CG 4.33Å; Y46-F50 AromaticContact CE2-CZ 3.22Å; Y46-F50 HydrophobicContact CE2-CZ 3.22Å; Y46-F50 AromaticContact CG-CD2 3.55Å; Y46-F50 HydrophobicContact CG-CD2 3.55Å; Y46-F50 AromaticContact CG-CE2 3.73Å; Y46-F50 HydrophobicContact CG-CE2 3.73Å; Y46-F50 HydrophobicContact CG-CG 4.5Å; Y46-F50 AromaticContact CZ-CD1 3.92Å; Y46-F50 AromaticContact CZ-CD2 3.38Å; Y46-F50 AromaticContact CZ-CE1 3.66Å; Y46-F50 AromaticContact CZ-CE2 3.13Å; Y46-F50 AromaticContact CZ-CG 3.79Å; Y46-F50 AromaticContact CZ-CZ 3.25Å; Y46-F50 WeakPolarHBondContact O-CB 3.33Å; Y46-F50 WeakPolarHBondContact O-CD2 3.48Å; Y46-F50 PolarHBondContact O-N 3.36Å; Y46-F50 VanDerWaalsContact OH-CE1 3.27Å; Y46-F50 WeakPolarHBondContact OH-CE1 3.33Å; Y46-F50 WeakPolarHBondContact OH-CZ 3.44Å; F50-A53 PolarHBondContact O-N 2.99Å; F50-I54 WeakPolarHBondContact O-CB 3.37Å; F50-I54 WeakPolarHBondContact O-CD1 3.43Å; F50-I54 WeakPolarHBondContact O-CG1 3.16Å; F50-I54 PolarHBondContact O-N 2.94Å |
| 51 | G | 94.7 | Very high | 89 | Confident | 37 Ų | 37 | 91.3 Ų | 91.3 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I47 V48 F55 | I47-G51 WeakPolarHBondContact O-CA 3.29Å; I47-G51 PolarHBondContact O-N 2.73Å; V48-G51 PolarHBondContact O-N 3.14Å; G51-F55 VanDerWaalsContact O-CB 3.24Å; G51-F55 WeakPolarHBondContact O-CB 3.31Å; G51-F55 PolarHBondContact O-N 3.13Å |
| 52 | T | 95.7 | Very high | 90.8 | Very high | 80 Ų | 80 | 92.4 Ų | 92.4 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 176.8 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | V48 V49 F55 V56 | V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 VanDerWaalsContact O-CG2 3.31Å; V48-T52 WeakPolarHBondContact O-CG2 3.49Å; V48-T52 PolarHBondContact O-N 3.44Å; V48-T52 PolarHBondContact O-OG1 3.39Å; V49-T52 PolarHBondContact O-OG1 3.24Å; T52-F55 PolarHBondContact O-N 2.95Å; T52-V56 WeakPolarHBondContact O-CB 3.47Å; T52-V56 VanDerWaalsContact O-CG2 3.26Å; T52-V56 WeakPolarHBondContact O-CG2 3.1Å; T52-V56 PolarHBondContact O-N 2.82Å |
| 53 | A | 95.5 | Very high | 92.1 | Very high | 58 Ų | 58 | 94.2 Ų | 94.2 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V49 F50 V56 F57 | V49-A53 VanDerWaalsContact O-CB 3.31Å; V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 3.25Å; F50-A53 PolarHBondContact O-N 2.99Å; A53-V56 PolarHBondContact O-N 3.32Å; A53-F57 VanDerWaalsContact O-CB 3.31Å; A53-F57 WeakPolarHBondContact O-CB 3.48Å; A53-F57 PolarHBondContact O-N 3.33Å |
| 54 | I | 96.8 | Very high | 93 | Very high | 95 Ų | 95 | 91.1 Ų | 91.1 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.7 | -69.4 | 166.4 | 0 | 0 | 0 | 110.2 | F50 F57 I58 | F50-I54 WeakPolarHBondContact O-CB 3.37Å; F50-I54 WeakPolarHBondContact O-CD1 3.43Å; F50-I54 WeakPolarHBondContact O-CG1 3.16Å; F50-I54 PolarHBondContact O-N 2.94Å; I54-F57 PolarHBondContact O-N 2.82Å; I54-I58 HydrophobicContact CG2-CD1 3.54Å; I54-I58 HydrophobicContact CG2-CG1 4.18Å; I54-I58 WeakPolarHBondContact O-CB 3.1Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.49Å |
| 55 | F | 97.2 | Very high | 93.8 | Very high | 124 Ų | 124 | 89 Ų | 89 | 54% | 0.544 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 178.3 | -178.3 | -105 | 0 | 0 | 0 | 111.9 | G51 T52 F57 I58 L59 | G51-F55 VanDerWaalsContact O-CB 3.24Å; G51-F55 WeakPolarHBondContact O-CB 3.31Å; G51-F55 PolarHBondContact O-N 3.13Å; T52-F55 PolarHBondContact O-N 2.95Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F55-F57 PolarHBondContact O-N 2.74Å; F55-I58 PolarHBondContact O-N 3.37Å; F55-L59 HydrophobicContact CD1-CD1 3.84Å; F55-L59 HydrophobicContact CD1-CG 4.31Å; F55-L59 HydrophobicContact CE1-CD1 3.26Å; F55-L59 HydrophobicContact CE1-CG 4Å; F55-L59 HydrophobicContact CE2-CD1 4.31Å; F55-L59 HydrophobicContact CE2-CD2 4.38Å; F55-L59 HydrophobicContact CE2-CG 4.27Å; F55-L59 HydrophobicContact CZ-CD1 3.54Å; F55-L59 HydrophobicContact CZ-CD2 4.22Å; F55-L59 HydrophobicContact CZ-CG 3.98Å; F55-L59 WeakPolarHBondContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CG 3.32Å; F55-L59 PolarHBondContact O-N 3.48Å |
| 56 | V | 97 | Very high | 94.2 | Very high | 95 Ų | 95 | 90.9 Ų | 90.9 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | T52 A53 L59 S60 | T52-V56 WeakPolarHBondContact O-CB 3.47Å; T52-V56 VanDerWaalsContact O-CG2 3.26Å; T52-V56 WeakPolarHBondContact O-CG2 3.1Å; T52-V56 PolarHBondContact O-N 2.82Å; A53-V56 PolarHBondContact O-N 3.32Å; V56-L59 PolarHBondContact O-N 3.21Å; V56-S60 VanDerWaalsContact O-CB 3.26Å; V56-S60 WeakPolarHBondContact O-CB 3.4Å; V56-S60 PolarHBondContact O-N 2.78Å |
| 57 | F | 97.3 | Very high | 94.3 | Very high | 131 Ų | 131 | 88.8 Ų | 88.8 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.2 | -45.1 | 176.2 | -175.4 | -106.6 | 0 | 0 | 0 | 111.9 | A53 I54 F55 S60 L61 | A53-F57 VanDerWaalsContact O-CB 3.31Å; A53-F57 WeakPolarHBondContact O-CB 3.48Å; A53-F57 PolarHBondContact O-N 3.33Å; I54-F57 PolarHBondContact O-N 2.82Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F55-F57 PolarHBondContact O-N 2.74Å; F57-S60 WeakPolarHBondContact O-CB 3.31Å; F57-S60 PolarHBondContact O-N 3.18Å; F57-L61 HydrophobicContact CD1-CD1 3.84Å; F57-L61 HydrophobicContact CD1-CG 4.24Å; F57-L61 HydrophobicContact CE1-CD1 3.3Å; F57-L61 HydrophobicContact CE1-CG 3.93Å; F57-L61 HydrophobicContact CE2-CD2 4.45Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.7Å; F57-L61 HydrophobicContact CZ-CD2 4.15Å; F57-L61 HydrophobicContact CZ-CG 3.99Å; F57-L61 WeakPolarHBondContact O-CB 3.3Å; F57-L61 WeakPolarHBondContact O-CG 3.35Å; F57-L61 PolarHBondContact O-N 3.21Å |
| 58 | I | 96.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 88.6 Ų | 88.6 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 176.2 | -70.2 | 169.5 | 0 | 0 | 0 | 110.3 | I54 F55 S60 L61 L62 | I54-I58 HydrophobicContact CG2-CD1 3.54Å; I54-I58 HydrophobicContact CG2-CG1 4.18Å; I54-I58 WeakPolarHBondContact O-CB 3.1Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.49Å; F55-I58 PolarHBondContact O-N 3.37Å; I58-S60 VanDerWaalsContact C-N 3.3Å; I58-S60 PolarHBondContact O-N 2.94Å; I58-L61 PolarHBondContact O-N 3.46Å; I58-L62 HydrophobicContact CG2-CD1 3.77Å; I58-L62 HydrophobicContact CG2-CG 4.12Å; I58-L62 WeakPolarHBondContact O-CB 3.2Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 3.36Å |
| 59 | L | 96 | Very high | 94.1 | Very high | 84 Ų | 84 | 92.8 Ų | 92.8 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 176.9 | -72.2 | -173.4 | 0 | 0 | 0 | 111.9 | F55 V56 L62 F63 | F55-L59 HydrophobicContact CD1-CD1 3.84Å; F55-L59 HydrophobicContact CD1-CG 4.31Å; F55-L59 HydrophobicContact CE1-CD1 3.26Å; F55-L59 HydrophobicContact CE1-CG 4Å; F55-L59 HydrophobicContact CE2-CD1 4.31Å; F55-L59 HydrophobicContact CE2-CD2 4.38Å; F55-L59 HydrophobicContact CE2-CG 4.27Å; F55-L59 HydrophobicContact CZ-CD1 3.54Å; F55-L59 HydrophobicContact CZ-CD2 4.22Å; F55-L59 HydrophobicContact CZ-CG 3.98Å; F55-L59 WeakPolarHBondContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CG 3.32Å; F55-L59 PolarHBondContact O-N 3.48Å; V56-L59 PolarHBondContact O-N 3.21Å; L59-L62 PolarHBondContact O-N 2.99Å; L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 3.18Å |
| 60 | S | 95.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 92.9 Ų | 92.9 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | V56 F57 I58 F63 C64 | V56-S60 VanDerWaalsContact O-CB 3.26Å; V56-S60 WeakPolarHBondContact O-CB 3.4Å; V56-S60 PolarHBondContact O-N 2.78Å; F57-S60 WeakPolarHBondContact O-CB 3.31Å; F57-S60 PolarHBondContact O-N 3.18Å; I58-S60 VanDerWaalsContact C-N 3.3Å; I58-S60 PolarHBondContact O-N 2.94Å; S60-F63 PolarHBondContact O-N 2.72Å; S60-C64 VanDerWaalsContact O-CB 3.24Å; S60-C64 WeakPolarHBondContact O-CB 2.86Å; S60-C64 PolarHBondContact O-N 3.11Å; S60-C64 PolarHBondContact O-SG 2.87Å |
| 61 | L | 95.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.3 | -73.2 | -173.9 | 0 | 0 | 0 | 112 | F57 I58 C64 C65 | F57-L61 HydrophobicContact CD1-CD1 3.84Å; F57-L61 HydrophobicContact CD1-CG 4.24Å; F57-L61 HydrophobicContact CE1-CD1 3.3Å; F57-L61 HydrophobicContact CE1-CG 3.93Å; F57-L61 HydrophobicContact CE2-CD2 4.45Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.7Å; F57-L61 HydrophobicContact CZ-CD2 4.15Å; F57-L61 HydrophobicContact CZ-CG 3.99Å; F57-L61 WeakPolarHBondContact O-CB 3.3Å; F57-L61 WeakPolarHBondContact O-CG 3.35Å; F57-L61 PolarHBondContact O-N 3.21Å; I58-L61 PolarHBondContact O-N 3.46Å; L61-C64 PolarHBondContact O-N 3.42Å; L61-C65 WeakPolarHBondContact O-CB 3.07Å; L61-C65 PolarHBondContact O-N 3.39Å; L61-C65 PolarHBondContact O-SG 2.83Å |
| 62 | L | 95.2 | Very high | 92.1 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 176.7 | -71.3 | 176.6 | 0 | 0 | 0 | 110.8 | I58 L59 C65 Y66 | I58-L62 HydrophobicContact CG2-CD1 3.77Å; I58-L62 HydrophobicContact CG2-CG 4.12Å; I58-L62 WeakPolarHBondContact O-CB 3.2Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 3.36Å; L59-L62 PolarHBondContact O-N 2.99Å; L62-C65 PolarHBondContact O-N 3.18Å; L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 PolarHBondContact O-N 3.13Å |
| 63 | F | 96.2 | Very high | 91.1 | Very high | 122 Ų | 122 | 102.7 Ų | 102.7 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.3 | -176.8 | -105.2 | 0 | 0 | 0 | 111.7 | L59 S60 C65 Y66 L67 | L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 3.18Å; S60-F63 PolarHBondContact O-N 2.72Å; F63-C65 PolarHBondContact O-N 3.35Å; F63-Y66 WeakPolarHBondContact O-CB 3.4Å; F63-Y66 PolarHBondContact O-N 2.78Å; F63-L67 HydrophobicContact CD1-CD1 3.88Å; F63-L67 HydrophobicContact CD1-CG 4.23Å; F63-L67 HydrophobicContact CE1-CD1 3.24Å; F63-L67 HydrophobicContact CE1-CG 3.88Å; F63-L67 HydrophobicContact CE2-CD1 4.31Å; F63-L67 HydrophobicContact CE2-CD2 4.26Å; F63-L67 HydrophobicContact CE2-CG 4.16Å; F63-L67 HydrophobicContact CZ-CD1 3.5Å; F63-L67 HydrophobicContact CZ-CD2 4.08Å; F63-L67 HydrophobicContact CZ-CG 3.84Å; F63-L67 WeakPolarHBondContact O-CB 3.14Å; F63-L67 WeakPolarHBondContact O-CG 3.3Å; F63-L67 PolarHBondContact O-N 2.97Å |
| 64 | C | 95.1 | Very high | 90 | Very high | 54 Ų | 54 | 103 Ų | 103 | 37% | 0.365 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.2 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | S60 L61 Y66 L67 I68 | S60-C64 VanDerWaalsContact O-CB 3.24Å; S60-C64 WeakPolarHBondContact O-CB 2.86Å; S60-C64 PolarHBondContact O-N 3.11Å; S60-C64 PolarHBondContact O-SG 2.87Å; L61-C64 PolarHBondContact O-N 3.42Å; C64-Y66 VanDerWaalsContact C-N 3.31Å; C64-Y66 PolarHBondContact O-N 3.01Å; C64-L67 PolarHBondContact O-N 3.32Å; C64-I68 HydrophobicContact CB-CD1 4.48Å; C64-I68 WeakPolarHBondContact O-CB 3.48Å; C64-I68 WeakPolarHBondContact O-CD1 3.15Å; C64-I68 WeakPolarHBondContact O-CG1 3.34Å; C64-I68 PolarHBondContact O-N 2.88Å |
| 65 | C | 92.5 | Very high | 88.7 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.8 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | L61 L62 F63 I68 R69 | L61-C65 WeakPolarHBondContact O-CB 3.07Å; L61-C65 PolarHBondContact O-N 3.39Å; L61-C65 PolarHBondContact O-SG 2.83Å; L62-C65 PolarHBondContact O-N 3.18Å; F63-C65 PolarHBondContact O-N 3.35Å; C65-I68 PolarHBondContact O-N 3.42Å; C65-R69 WeakPolarHBondContact O-CA 2.78Å; C65-R69 WeakPolarHBondContact O-CB 2.92Å; C65-R69 WeakPolarHBondContact O-CG 3.25Å; C65-R69 PolarHBondContact O-N 3.48Å |
| 66 | Y | 92.8 | Very high | 87.4 | Confident | 139 Ų | 139 | 101.7 Ų | 101.7 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -51.7 | 177.8 | 178.4 | -99 | 0 | 0 | 0 | 110.8 | L62 F63 C64 I68 R69 L70 | L62-Y66 WeakPolarHBondContact O-CB 3.4Å; L62-Y66 PolarHBondContact O-N 3.13Å; F63-Y66 WeakPolarHBondContact O-CB 3.4Å; F63-Y66 PolarHBondContact O-N 2.78Å; C64-Y66 VanDerWaalsContact C-N 3.31Å; C64-Y66 PolarHBondContact O-N 3.01Å; Y66-I68 PolarHBondContact O-N 2.89Å; Y66-R69 CarbonylContact O-C 3.56Å; Y66-R69 WeakPolarHBondContact O-CB 3.37Å; Y66-R69 PolarHBondContact O-N 3.49Å; Y66-R69 VanDerWaalsContact O-N 3.13Å; Y66-L70 HydrophobicContact CD1-CD1 3.72Å; Y66-L70 HydrophobicContact CD2-CD1 3.64Å; Y66-L70 HydrophobicContact CE1-CD1 3.44Å; Y66-L70 VanDerWaalsContact CE1-CD1 3.44Å; Y66-L70 HydrophobicContact CE1-CD2 3.91Å; Y66-L70 HydrophobicContact CE1-CG 4.32Å; Y66-L70 HydrophobicContact CE2-CD1 3.37Å; Y66-L70 HydrophobicContact CG-CD1 3.81Å; Y66-L70 WeakPolarHBondContact O-CD1 2.85Å; Y66-L70 PolarHBondContact O-N 3.25Å |
| 67 | L | 88.2 | Confident | 86.1 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.5 | -70 | -171.2 | 0 | 0 | 0 | 112.3 | F63 C64 R69 L70 R71 | F63-L67 HydrophobicContact CD1-CD1 3.88Å; F63-L67 HydrophobicContact CD1-CG 4.23Å; F63-L67 HydrophobicContact CE1-CD1 3.24Å; F63-L67 HydrophobicContact CE1-CG 3.88Å; F63-L67 HydrophobicContact CE2-CD1 4.31Å; F63-L67 HydrophobicContact CE2-CD2 4.26Å; F63-L67 HydrophobicContact CE2-CG 4.16Å; F63-L67 HydrophobicContact CZ-CD1 3.5Å; F63-L67 HydrophobicContact CZ-CD2 4.08Å; F63-L67 HydrophobicContact CZ-CG 3.84Å; F63-L67 WeakPolarHBondContact O-CB 3.14Å; F63-L67 WeakPolarHBondContact O-CG 3.3Å; F63-L67 PolarHBondContact O-N 2.97Å; C64-L67 PolarHBondContact O-N 3.32Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 2.93Å; L67-R71 WeakPolarHBondContact O-CB 3.11Å; L67-R71 PolarHBondContact O-N 2.94Å |
| 68 | I | 86.8 | Confident | 84.8 | Confident | 95 Ų | 95 | 103.1 Ų | 103.1 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.8 | -69.9 | 164.4 | 0 | 0 | 0 | 109.4 | C64 C65 Y66 R71 H72 | C64-I68 HydrophobicContact CB-CD1 4.48Å; C64-I68 WeakPolarHBondContact O-CB 3.48Å; C64-I68 WeakPolarHBondContact O-CD1 3.15Å; C64-I68 WeakPolarHBondContact O-CG1 3.34Å; C64-I68 PolarHBondContact O-N 2.88Å; C65-I68 PolarHBondContact O-N 3.42Å; Y66-I68 PolarHBondContact O-N 2.89Å; I68-R71 PolarHBondContact O-N 2.91Å; I68-H72 WeakPolarHBondContact O-CA 3.47Å; I68-H72 WeakPolarHBondContact O-CB 3.26Å; I68-H72 PolarHBondContact O-N 3.42Å |
| 69 | R | 85.6 | Confident | 83.3 | Confident | 183 Ų | 183 | 103.7 Ų | 103.7 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.2 | -42.3 | 177.6 | -74.1 | -81.9 | -176.8 | 169.6 | 1.8 | 111.8 | C65 Y66 L67 H72 Q73 | C65-R69 WeakPolarHBondContact O-CA 2.78Å; C65-R69 WeakPolarHBondContact O-CB 2.92Å; C65-R69 WeakPolarHBondContact O-CG 3.25Å; C65-R69 PolarHBondContact O-N 3.48Å; Y66-R69 CarbonylContact O-C 3.56Å; Y66-R69 WeakPolarHBondContact O-CB 3.37Å; Y66-R69 PolarHBondContact O-N 3.49Å; Y66-R69 VanDerWaalsContact O-N 3.13Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.01Å; R69-H72 CarbonylContact O-C 3.6Å; R69-H72 PolarHBondContact O-N 2.81Å; R69-Q73 VanDerWaalsContact O-CB 3.24Å; R69-Q73 WeakPolarHBondContact O-CB 3.35Å; R69-Q73 PolarHBondContact O-N 3.29Å |
| 70 | L | 81.7 | Confident | 82 | Confident | 82 Ų | 82 | 102.2 Ų | 102.2 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 173.5 | -94.1 | 78.9 | 0 | 0 | 0 | 110.4 | Y66 L67 H72 Q73 A74 | Y66-L70 HydrophobicContact CD1-CD1 3.72Å; Y66-L70 HydrophobicContact CD2-CD1 3.64Å; Y66-L70 HydrophobicContact CE1-CD1 3.44Å; Y66-L70 VanDerWaalsContact CE1-CD1 3.44Å; Y66-L70 HydrophobicContact CE1-CD2 3.91Å; Y66-L70 HydrophobicContact CE1-CG 4.32Å; Y66-L70 HydrophobicContact CE2-CD1 3.37Å; Y66-L70 HydrophobicContact CG-CD1 3.81Å; Y66-L70 WeakPolarHBondContact O-CD1 2.85Å; Y66-L70 PolarHBondContact O-N 3.25Å; L67-L70 PolarHBondContact O-N 2.93Å; L70-H72 VanDerWaalsContact C-N 3.3Å; L70-H72 PolarHBondContact O-N 3.16Å; L70-Q73 PolarHBondContact O-N 3.35Å; L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.92Å |
| 71 | R | 79.2 | Confident | 80.6 | Confident | 167 Ų | 167 | 106.4 Ų | 106.4 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 177.6 | -165.6 | 179 | 72.1 | 114.9 | -0.3 | 111.4 | L67 I68 H75 | L67-R71 WeakPolarHBondContact O-CB 3.11Å; L67-R71 PolarHBondContact O-N 2.94Å; I68-R71 PolarHBondContact O-N 2.91Å; R71-H75 VanDerWaalsContact O-CB 3.25Å; R71-H75 WeakPolarHBondContact O-CB 3.09Å; R71-H75 PolarHBondContact O-N 2.92Å |
| 72 | H | 77.6 | Confident | 79.1 | Confident | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.9 | -32.1 | -179.9 | -171.6 | -92.2 | 0 | 0 | 0 | 112 | I68 R69 L70 H75 K76 | I68-H72 WeakPolarHBondContact O-CA 3.47Å; I68-H72 WeakPolarHBondContact O-CB 3.26Å; I68-H72 PolarHBondContact O-N 3.42Å; R69-H72 CarbonylContact O-C 3.6Å; R69-H72 PolarHBondContact O-N 2.81Å; L70-H72 VanDerWaalsContact C-N 3.3Å; L70-H72 PolarHBondContact O-N 3.16Å; H72-H75 PolarHBondContact O-N 3.31Å; H72-K76 WeakPolarHBondContact O-CB 3.45Å; H72-K76 PolarHBondContact O-N 2.91Å |
| 73 | Q | 74.1 | Confident | 77.5 | Confident | 143 Ų | 143 | 103.1 Ų | 103.1 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -46.1 | 173 | -172.8 | 165 | -35.2 | 0 | 0 | 109.9 | R69 L70 H75 K76 E77 | R69-Q73 VanDerWaalsContact O-CB 3.24Å; R69-Q73 WeakPolarHBondContact O-CB 3.35Å; R69-Q73 PolarHBondContact O-N 3.29Å; L70-Q73 PolarHBondContact O-N 3.35Å; Q73-H75 VanDerWaalsContact C-N 3.32Å; Q73-H75 PolarHBondContact O-N 3.41Å; Q73-K76 PolarHBondContact O-N 2.96Å; Q73-E77 WeakPolarHBondContact O-CG 3.24Å; Q73-E77 PolarHBondContact O-N 2.99Å |
| 74 | A | 72.4 | Confident | 75.9 | Confident | 65 Ų | 65 | 101.7 Ų | 101.7 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L70 F78 | L70-A74 WeakPolarHBondContact O-CB 3.15Å; L70-A74 PolarHBondContact O-N 2.92Å; A74-F78 WeakPolarHBondContact O-CB 3.37Å; A74-F78 PolarHBondContact O-N 3.34Å |
| 75 | H | 70.4 | Confident | 74.4 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 26% | 0.259 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 178.6 | -112.3 | -60 | 0 | 0 | 0 | 113.3 | R71 H72 Q73 F78 Y79 | R71-H75 VanDerWaalsContact O-CB 3.25Å; R71-H75 WeakPolarHBondContact O-CB 3.09Å; R71-H75 PolarHBondContact O-N 2.92Å; H72-H75 PolarHBondContact O-N 3.31Å; Q73-H75 VanDerWaalsContact C-N 3.32Å; Q73-H75 PolarHBondContact O-N 3.41Å; H75-F78 PolarHBondContact O-N 3.41Å; H75-Y79 HydrophobicContact CB-CD2 3.8Å; H75-Y79 HydrophobicContact CB-CE2 3.66Å; H75-Y79 AromaticContact CE1-CE1 3.79Å; H75-Y79 AromaticContact CE1-CE2 3.48Å; H75-Y79 VanDerWaalsContact CE1-CE2 3.48Å; H75-Y79 WeakPolarHBondContact CE1-CE2 2.98Å; H75-Y79 AromaticContact CE1-CZ 3.12Å; H75-Y79 PolarHBondContact CE1-OH 2.82Å; H75-Y79 AromaticContact CG-CD2 3.9Å; H75-Y79 AromaticContact CG-CE2 3.35Å; H75-Y79 AromaticContact CG-CZ 3.88Å; H75-Y79 AromaticContact ND1-CD2 3.35Å; H75-Y79 VanDerWaalsContact ND1-CD2 3.35Å; H75-Y79 WeakPolarHBondContact ND1-CD2 3.48Å; H75-Y79 AromaticContact ND1-CE1 3.62Å; H75-Y79 AromaticContact ND1-CE2 2.78Å; H75-Y79 WeakPolarHBondContact ND1-CE2 3.23Å; H75-Y79 AromaticContact ND1-CG 3.96Å; H75-Y79 AromaticContact ND1-CZ 2.92Å; H75-Y79 PolarHBondContact ND1-OH 2.92Å; H75-Y79 WeakPolarHBondContact O-CA 3.16Å; H75-Y79 WeakPolarHBondContact O-CB 3.24Å; H75-Y79 WeakPolarHBondContact O-CD2 3.49Å; H75-Y79 PolarHBondContact O-N 3.06Å |
| 76 | K | 69.5 | Low | 73.4 | Confident | 135 Ų | 135 | 100.7 Ų | 100.7 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.8 | -43.4 | -176.2 | -159.7 | -177.7 | -174.5 | -165.9 | 0 | 111 | H72 Q73 A80 | H72-K76 WeakPolarHBondContact O-CB 3.45Å; H72-K76 PolarHBondContact O-N 2.91Å; Q73-K76 PolarHBondContact O-N 2.96Å; K76-A80 VanDerWaalsContact O-CB 3.31Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 2.7Å |
| 77 | E | 70.6 | Confident | 72 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 173.8 | -62.2 | -57 | 123.3 | 0 | 0 | 110.9 | Q73 Y79 A80 Y81 | Q73-E77 WeakPolarHBondContact O-CG 3.24Å; Q73-E77 PolarHBondContact O-N 2.99Å; E77-Y79 PolarHBondContact O-N 3.23Å; E77-A80 PolarHBondContact O-N 3.45Å; E77-Y81 VanDerWaalsContact O-CB 3.23Å; E77-Y81 WeakPolarHBondContact O-CB 3.06Å; E77-Y81 PolarHBondContact O-N 2.83Å |
| 78 | F | 69.8 | Low | 70.9 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 54% | 0.544 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 178.3 | -157.2 | -90.9 | 0 | 0 | 0 | 112.3 | A74 H75 K82 | A74-F78 WeakPolarHBondContact O-CB 3.37Å; A74-F78 PolarHBondContact O-N 3.34Å; H75-F78 PolarHBondContact O-N 3.41Å; F78-K82 HydrophobicContact CD1-CD 4.22Å; F78-K82 HydrophobicContact CE1-CD 4.01Å; F78-K82 WeakPolarHBondContact O-CA 2.93Å; F78-K82 WeakPolarHBondContact O-CB 3.37Å; F78-K82 PolarHBondContact O-N 2.93Å |
| 79 | Y | 63.6 | Low | 69.8 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.9 | -42.7 | 176.4 | -78 | -53.7 | 0 | 0 | 0 | 111.9 | H75 E77 Q83 | H75-Y79 HydrophobicContact CB-CD2 3.8Å; H75-Y79 HydrophobicContact CB-CE2 3.66Å; H75-Y79 AromaticContact CE1-CE1 3.79Å; H75-Y79 AromaticContact CE1-CE2 3.48Å; H75-Y79 VanDerWaalsContact CE1-CE2 3.48Å; H75-Y79 WeakPolarHBondContact CE1-CE2 2.98Å; H75-Y79 AromaticContact CE1-CZ 3.12Å; H75-Y79 PolarHBondContact CE1-OH 2.82Å; H75-Y79 AromaticContact CG-CD2 3.9Å; H75-Y79 AromaticContact CG-CE2 3.35Å; H75-Y79 AromaticContact CG-CZ 3.88Å; H75-Y79 AromaticContact ND1-CD2 3.35Å; H75-Y79 VanDerWaalsContact ND1-CD2 3.35Å; H75-Y79 WeakPolarHBondContact ND1-CD2 3.48Å; H75-Y79 AromaticContact ND1-CE1 3.62Å; H75-Y79 AromaticContact ND1-CE2 2.78Å; H75-Y79 WeakPolarHBondContact ND1-CE2 3.23Å; H75-Y79 AromaticContact ND1-CG 3.96Å; H75-Y79 AromaticContact ND1-CZ 2.92Å; H75-Y79 PolarHBondContact ND1-OH 2.92Å; H75-Y79 WeakPolarHBondContact O-CA 3.16Å; H75-Y79 WeakPolarHBondContact O-CB 3.24Å; H75-Y79 WeakPolarHBondContact O-CD2 3.49Å; H75-Y79 PolarHBondContact O-N 3.06Å; E77-Y79 PolarHBondContact O-N 3.23Å; Y79-Q83 WeakPolarHBondContact O-CB 3.31Å; Y79-Q83 VanDerWaalsContact O-CG 3.24Å; Y79-Q83 WeakPolarHBondContact O-CG 3.5Å; Y79-Q83 PolarHBondContact O-N 3.36Å |
| 80 | A | 69 | Low | 68.9 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.2 | -50.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K76 E77 Q83 V84 | K76-A80 VanDerWaalsContact O-CB 3.31Å; K76-A80 WeakPolarHBondContact O-CB 3.34Å; K76-A80 PolarHBondContact O-N 2.7Å; E77-A80 PolarHBondContact O-N 3.45Å; A80-Q83 WeakPolarHBondContact O-CB 3.09Å; A80-Q83 PolarHBondContact O-N 3.43Å; A80-Q83 VanDerWaalsContact O-N 3.16Å; A80-V84 WeakPolarHBondContact O-CG2 3.4Å; A80-V84 PolarHBondContact O-N 2.93Å |
| 81 | Y | 67 | Low | 68 | Low | 149 Ų | 149 | 101.4 Ų | 101.4 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.3 | -48.6 | 175.3 | 176.7 | -100.4 | 0 | 0 | 0 | 112.4 | E77 Q83 V84 I85 | E77-Y81 VanDerWaalsContact O-CB 3.23Å; E77-Y81 WeakPolarHBondContact O-CB 3.06Å; E77-Y81 PolarHBondContact O-N 2.83Å; Y81-Q83 PolarHBondContact O-N 2.97Å; Y81-V84 PolarHBondContact O-N 3.35Å; Y81-I85 HydrophobicContact CD1-CG1 4.36Å; Y81-I85 HydrophobicContact CD2-CG1 4.25Å; Y81-I85 HydrophobicContact CE1-CG1 4Å; Y81-I85 HydrophobicContact CE2-CD1 4.07Å; Y81-I85 HydrophobicContact CE2-CG1 3.87Å; Y81-I85 HydrophobicContact CG-CG1 4.48Å; Y81-I85 VanDerWaalsContact O-CG1 3.26Å; Y81-I85 WeakPolarHBondContact O-CG1 3.46Å; Y81-I85 PolarHBondContact O-N 3.45Å |
| 82 | K | 63.3 | Low | 67.2 | Low | 54 Ų | 54 | 100.6 Ų | 100.6 | 24% | 0.235 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 176.8 | -170.2 | 176 | -177.2 | 176 | 0 | 111.4 | F78 L86 E111 | F78-K82 HydrophobicContact CD1-CD 4.22Å; F78-K82 HydrophobicContact CE1-CD 4.01Å; F78-K82 WeakPolarHBondContact O-CA 2.93Å; F78-K82 WeakPolarHBondContact O-CB 3.37Å; F78-K82 PolarHBondContact O-N 2.93Å; K82-L86 WeakPolarHBondContact O-CB 3.19Å; K82-L86 PolarHBondContact O-N 3.47Å; K82-E111 VanDerWaalsContact NZ-CD 3.34Å; K82-E111 IonicContact NZ-OE1 3.82Å; K82-E111 PolarHBondContact NZ-OE1 3.04Å |
| 83 | Q | 62.3 | Low | 66.5 | Low | 66 Ų | 66 | 98.4 Ų | 98.4 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -48.7 | 175.6 | -90.8 | 179.5 | 13.9 | 0 | 0 | 113.5 | Y79 A80 Y81 L86 K87 P108 | Y79-Q83 WeakPolarHBondContact O-CB 3.31Å; Y79-Q83 VanDerWaalsContact O-CG 3.24Å; Y79-Q83 WeakPolarHBondContact O-CG 3.5Å; Y79-Q83 PolarHBondContact O-N 3.36Å; A80-Q83 WeakPolarHBondContact O-CB 3.09Å; A80-Q83 PolarHBondContact O-N 3.43Å; A80-Q83 VanDerWaalsContact O-N 3.16Å; Y81-Q83 PolarHBondContact O-N 2.97Å; Q83-L86 PolarHBondContact O-N 3.07Å; Q83-K87 WeakPolarHBondContact O-CB 3.24Å; Q83-K87 PolarHBondContact O-N 3.45Å; Q83-P108 VanDerWaalsContact CD-O 3.3Å; Q83-P108 HydrophobicContact CG-CB 4.07Å; Q83-P108 WeakPolarHBondContact CG-O 3.31Å; Q83-P108 VanDerWaalsContact NE2-C 3.32Å; Q83-P108 PolarHBondContact NE2-O 3.4Å |
| 84 | V | 63 | Low | 65.8 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -46 | 178.4 | -108.9 | 0 | 0 | 0 | 0 | 110.8 | A80 Y81 L86 K87 E88 | A80-V84 WeakPolarHBondContact O-CG2 3.4Å; A80-V84 PolarHBondContact O-N 2.93Å; Y81-V84 PolarHBondContact O-N 3.35Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.76Å; V84-K87 PolarHBondContact O-N 3.43Å; V84-E88 WeakPolarHBondContact O-CB 3.39Å; V84-E88 PolarHBondContact O-N 3.21Å |
| 85 | I | 64.3 | Low | 65.4 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 36% | 0.359 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.6 | -61.9 | -65.4 | 0 | 0 | 0 | 111.3 | Y81 K89 | Y81-I85 HydrophobicContact CD1-CG1 4.36Å; Y81-I85 HydrophobicContact CD2-CG1 4.25Å; Y81-I85 HydrophobicContact CE1-CG1 4Å; Y81-I85 HydrophobicContact CE2-CD1 4.07Å; Y81-I85 HydrophobicContact CE2-CG1 3.87Å; Y81-I85 HydrophobicContact CG-CG1 4.48Å; Y81-I85 VanDerWaalsContact O-CG1 3.26Å; Y81-I85 WeakPolarHBondContact O-CG1 3.46Å; Y81-I85 PolarHBondContact O-N 3.45Å; I85-K89 WeakPolarHBondContact O-CB 3.49Å; I85-K89 PolarHBondContact O-N 3.49Å |
| 86 | L | 71.2 | Confident | 65.2 | Low | 29 Ų | 29 | 101.4 Ų | 101.4 | 15% | 0.152 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 178.9 | -166.6 | 66.5 | 0 | 0 | 0 | 111.6 | K82 Q83 V84 K89 V90 L112 | K82-L86 WeakPolarHBondContact O-CB 3.19Å; K82-L86 PolarHBondContact O-N 3.47Å; Q83-L86 PolarHBondContact O-N 3.07Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-L86 PolarHBondContact O-N 2.76Å; L86-K89 PolarHBondContact O-N 3.49Å; L86-V90 HydrophobicContact CG-CG2 4.45Å; L86-V90 WeakPolarHBondContact O-CB 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.46Å; L86-V90 PolarHBondContact O-N 3.45Å; L86-L112 HydrophobicContact CD1-CB 3.91Å; L86-L112 HydrophobicContact CD1-CD1 3.43Å; L86-L112 VanDerWaalsContact CD1-CD1 3.43Å; L86-L112 HydrophobicContact CD1-CG 3.68Å; L86-L112 HydrophobicContact CD2-CD1 3.8Å; L86-L112 HydrophobicContact CD2-CG 3.79Å; L86-L112 HydrophobicContact CG-CD1 3.85Å; L86-L112 HydrophobicContact CG-CG 4.22Å |
| 87 | K | 61.8 | Low | 65.2 | Low | 169 Ų | 169 | 101.6 Ų | 101.6 | 74% | 0.735 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | -179.9 | -169 | -177.8 | -178.3 | -174.5 | 0 | 111.7 | Q83 V84 K91 | Q83-K87 WeakPolarHBondContact O-CB 3.24Å; Q83-K87 PolarHBondContact O-N 3.45Å; V84-K87 PolarHBondContact O-N 3.43Å; K87-K91 WeakPolarHBondContact O-CB 3.26Å; K87-K91 PolarHBondContact O-N 2.79Å |
| 88 | E | 66.4 | Low | 65.6 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 176.8 | -169.8 | 171.2 | -175.9 | 0 | 0 | 111.3 | V84 K91 E92 | V84-E88 WeakPolarHBondContact O-CB 3.39Å; V84-E88 PolarHBondContact O-N 3.21Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 2.73Å; E88-E92 PolarHBondContact O-N 3.5Å |
| 89 | K | 63.2 | Low | 66.3 | Low | 103 Ų | 103 | 92.2 Ų | 92.2 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.5 | -33.5 | -177.3 | -152.2 | -173.2 | -172.4 | -179 | 0 | 113.7 | I85 L86 K91 E92 L93 I114 | I85-K89 WeakPolarHBondContact O-CB 3.49Å; I85-K89 PolarHBondContact O-N 3.49Å; L86-K89 PolarHBondContact O-N 3.49Å; K89-K91 VanDerWaalsContact C-N 3.34Å; K89-E92 PolarHBondContact O-N 3.13Å; K89-L93 HydrophobicContact CD-CD1 4.22Å; K89-L93 HydrophobicContact CG-CD1 3.78Å; K89-L93 HydrophobicContact CG-CG 4.41Å; K89-L93 VanDerWaalsContact O-CB 3.27Å; K89-L93 WeakPolarHBondContact O-CB 3.18Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.17Å; K89-L93 PolarHBondContact O-N 2.68Å; K89-I114 HydrophobicContact CD-CD1 4.07Å |
| 90 | V | 66.9 | Low | 67.2 | Low | 22 Ų | 22 | 89.9 Ų | 89.9 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 172.2 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | L86 E92 L93 N94 E97 L112 | L86-V90 HydrophobicContact CG-CG2 4.45Å; L86-V90 WeakPolarHBondContact O-CB 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.46Å; L86-V90 PolarHBondContact O-N 3.45Å; V90-E92 PolarHBondContact O-N 3.48Å; V90-L93 PolarHBondContact O-N 3.4Å; V90-N94 PolarHBondContact O-N 2.74Å; V90-E97 HydrophobicContact CG1-CG 4.32Å; V90-L112 HydrophobicContact CG2-CD1 4.39Å |
| 91 | K | 61.5 | Low | 68 | Low | 178 Ų | 178 | 90 Ų | 90 | 77% | 0.774 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 177.7 | -166.9 | 179.3 | -179.3 | -173.3 | 0 | 112.5 | K87 E88 K89 | K87-K91 WeakPolarHBondContact O-CB 3.26Å; K87-K91 PolarHBondContact O-N 2.79Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 2.73Å; K89-K91 VanDerWaalsContact C-N 3.34Å |
| 92 | E | 64.3 | Low | 68.9 | Low | 151 Ų | 151 | 85 Ų | 85 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -75.1 | -34.9 | 178.6 | -163.4 | -174.9 | 143 | 0 | 0 | 112.8 | E88 K89 V90 | E88-E92 PolarHBondContact O-N 3.5Å; K89-E92 PolarHBondContact O-N 3.13Å; V90-E92 PolarHBondContact O-N 3.48Å |
| 93 | L | 62.5 | Low | 69.9 | Low | 59 Ų | 59 | 88.5 Ų | 88.5 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -88.9 | -0.3 | -174.2 | -70.3 | 171 | 0 | 0 | 0 | 115.1 | K89 V90 L95 | K89-L93 HydrophobicContact CD-CD1 4.22Å; K89-L93 HydrophobicContact CG-CD1 3.78Å; K89-L93 HydrophobicContact CG-CG 4.41Å; K89-L93 VanDerWaalsContact O-CB 3.27Å; K89-L93 WeakPolarHBondContact O-CB 3.18Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.17Å; K89-L93 PolarHBondContact O-N 2.68Å; V90-L93 PolarHBondContact O-N 3.4Å; L93-L95 HydrophobicContact CB-CB 4.31Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact O-N 3.11Å |
| 94 | N | 58.4 | Low | 70.7 | Confident | 151 Ų | 151 | 90.1 Ų | 90.1 | 81% | 0.807 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 40.4 | -172.2 | -81.8 | -82.4 | 0 | 0 | 0 | 112.3 | V90 | V90-N94 PolarHBondContact O-N 2.74Š|
| 95 | L | 65.2 | Low | 71.5 | Confident | 23 Ų | 23 | 90.6 Ų | 90.6 | 12% | 0.12 | 45% | 0.45 | C | S | . | . | trans | -79 | 134.2 | -173.2 | -157.9 | 45.8 | 0 | 0 | 0 | 108.6 | L93 E97 K118 A120 | L93-L95 HydrophobicContact CB-CB 4.31Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact O-N 3.11Å; L95-E97 PolarHBondContact O-N 3.36Å; L95-E97 VanDerWaalsContact O-N 3.13Å; L95-K118 WeakPolarHBondContact CD1-O 3.17Å; L95-A120 HydrophobicContact CD1-CB 4.39Å; L95-A120 HydrophobicContact CD2-CB 3.1Å; L95-A120 HydrophobicContact CG-CB 3.71Å | ||
| 96 | H | 65.3 | Low | 72.2 | Confident | 152 Ų | 152 | 88.8 Ų | 88.8 | 70% | 0.704 | 44% | 0.44 | S | S | * | . | trans | -48.5 | 124.4 | 174.5 | -106.2 | 66.1 | 0 | 0 | 0 | 109.1 | L98 F106 | H96-L98 PolarHBondContact O-N 3.32Å; H96-F106 WeakPolarHBondContact O-CE2 3.31Å | ||
| 97 | E | 70.1 | Confident | 72.3 | Confident | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -72.9 | 8.5 | -176 | -62 | -151.7 | 139.5 | 0 | 0 | 113.6 | V90 L95 D105 F106 | V90-E97 HydrophobicContact CG1-CG 4.32Å; L95-E97 PolarHBondContact O-N 3.36Å; L95-E97 VanDerWaalsContact O-N 3.13Å; E97-D105 WeakPolarHBondContact O-CA 3.11Å; E97-F106 VanDerWaalsContact O-CD2 3.3Å; E97-F106 WeakPolarHBondContact O-CD2 3.27Å; E97-F106 PolarHBondContact O-N 2.86Å |
| 98 | L | 79.4 | Confident | 72.4 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -128.5 | 137.5 | -173 | -171.6 | 133.4 | 0 | 0 | 0 | 110.8 | H96 A100 L103 | H96-L98 PolarHBondContact O-N 3.32Å; L98-A100 PolarHBondContact O-N 2.83Å; L98-L103 HydrophobicContact CD2-CB 4.41Å; L98-L103 HydrophobicContact CD2-CD2 4.22Å |
| 99 | C | 83.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 92.7 Ų | 92.7 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -77.8 | 113.4 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | V101 C102 L103 E104 F106 H122 | C99-V101 PolarHBondContact O-N 3.01Å; C99-C102 VanDerWaalsContact CB-SG 3.55Å; C99-C102 PolarHBondContact O-N 3.39Å; C99-L103 WeakPolarHBondContact O-CA 3.49Å; C99-L103 PolarHBondContact O-N 2.74Å; C99-E104 PolarHBondContact N-O 3.2Å; C99-F106 HydrophobicContact CB-CD1 4.32Å; C99-F106 HydrophobicContact CB-CE1 3.54Å; C99-F106 HydrophobicContact CB-CZ 4.01Å; C99-H122 WeakPolarHBondContact CB-ND1 2.95Å; C99-H122 PolarHBondContact SG-N 3.07Å | ||
| 100 | A | 83.4 | Confident | 72.8 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L98 F121 L138 | L98-A100 PolarHBondContact O-N 2.83Å; A100-F121 HydrophobicContact CB-CE1 4.02Å; A100-L138 HydrophobicContact CB-CD1 4.45Å; A100-L138 HydrophobicContact CB-CD2 3.84Å; A100-L138 HydrophobicContact CB-CG 4.15Å |
| 101 | V | 84.4 | Confident | 73.3 | Confident | 54 Ų | 54 | 91.6 Ų | 91.6 | 33% | 0.327 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -41.7 | 179.3 | 180 | 0 | 0 | 0 | 0 | 112.1 | C99 F121 C125 P137 | C99-V101 PolarHBondContact O-N 3.01Å; V101-F121 HydrophobicContact CG2-CD1 3.98Å; V101-C125 HydrophobicContact CB-CB 3.84Å; V101-C125 HydrophobicContact CG1-CB 3.8Å; V101-C125 HydrophobicContact CG2-CB 4.39Å; V101-P137 HydrophobicContact CG2-CG 3.96Å |
| 102 | C | 86.4 | Confident | 74.2 | Confident | 43 Ų | 43 | 84.3 Ų | 84.3 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -3.6 | 179.2 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | C99 E104 H122 | C99-C102 VanDerWaalsContact CB-SG 3.55Å; C99-C102 PolarHBondContact O-N 3.39Å; C102-E104 PolarHBondContact O-N 3.45Å; C102-H122 PolarHBondContact SG-ND1 2.77Å |
| 103 | L | 83.9 | Confident | 74.8 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | trans | 56.7 | 26.6 | -178.6 | -54.2 | 173.4 | 0 | 0 | 0 | 114.1 | L98 C99 | L98-L103 HydrophobicContact CD2-CB 4.41Å; L98-L103 HydrophobicContact CD2-CD2 4.22Å; C99-L103 WeakPolarHBondContact O-CA 3.49Å; C99-L103 PolarHBondContact O-N 2.74Å | ||
| 104 | E | 80.8 | Confident | 75.6 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | trans | -106.3 | 144.2 | 176.9 | -69.1 | -179.5 | -159 | 0 | 0 | 110.7 | C99 C102 | C99-E104 PolarHBondContact N-O 3.2Å; C102-E104 PolarHBondContact O-N 3.45Å | ||
| 105 | D | 79.8 | Confident | 76.5 | Confident | 103 Ų | 103 | 71.1 Ų | 71.1 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | B | Isolated β-bridge | trans | -61 | 144.5 | 172.8 | -57.7 | -67 | 0 | 0 | 0 | 111.7 | E97 K107 | E97-D105 WeakPolarHBondContact O-CA 3.11Å; D105-K107 PolarHBondContact O-N 3.36Å |
| 106 | F | 77.5 | Confident | 76.9 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | trans | -69.6 | 111.7 | 175.6 | -65.3 | -48 | 0 | 0 | 0 | 110.4 | H96 E97 C99 L112 A120 H122 | H96-F106 WeakPolarHBondContact O-CE2 3.31Å; E97-F106 VanDerWaalsContact O-CD2 3.3Å; E97-F106 WeakPolarHBondContact O-CD2 3.27Å; E97-F106 PolarHBondContact O-N 2.86Å; C99-F106 HydrophobicContact CB-CD1 4.32Å; C99-F106 HydrophobicContact CB-CE1 3.54Å; C99-F106 HydrophobicContact CB-CZ 4.01Å; F106-L112 HydrophobicContact CB-CD1 4.31Å; F106-L112 HydrophobicContact CB-CD2 4.3Å; F106-L112 HydrophobicContact CD1-CD1 4.1Å; F106-L112 HydrophobicContact CD1-CD2 3.2Å; F106-L112 HydrophobicContact CD1-CG 4.31Å; F106-L112 HydrophobicContact CD2-CD1 4.09Å; F106-L112 HydrophobicContact CE1-CD1 4.46Å; F106-L112 HydrophobicContact CE1-CD2 3.54Å; F106-L112 HydrophobicContact CE2-CD1 4.43Å; F106-L112 HydrophobicContact CG-CD1 3.92Å; F106-L112 HydrophobicContact CG-CD2 3.83Å; F106-L112 HydrophobicContact CZ-CD2 4.4Å; F106-A120 HydrophobicContact CE2-CB 4.09Å; F106-A120 HydrophobicContact CZ-CB 4.05Å; F106-A120 WeakPolarHBondContact CZ-O 3.46Å; F106-H122 AromaticContact CD1-CD2 3.7Å; F106-H122 AromaticContact CD1-CE1 3.98Å; F106-H122 AromaticContact CD1-NE2 3.4Å; F106-H122 WeakPolarHBondContact CD1-NE2 3.37Å; F106-H122 AromaticContact CE1-CD2 3.98Å; F106-H122 AromaticContact CE1-NE2 3.97Å | ||
| 107 | K | 73.8 | Confident | 77.5 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | trans | -82.1 | 150.2 | 174 | -61.9 | 168 | -176.9 | 157.6 | 0 | 109.3 | D105 R109 D110 | D105-K107 PolarHBondContact O-N 3.36Å; K107-R109 PolarHBondContact O-N 3.47Å; K107-D110 VanDerWaalsContact CB-OD2 3.3Å; K107-D110 WeakPolarHBondContact CB-OD2 3.5Å; K107-D110 PolarHBondContact N-OD2 3.44Å; K107-D110 PolarHBondContact O-N 2.76Å | ||
| 108 | P | 63.3 | Low | 77.7 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.5 | 176.8 | 22 | -32.9 | 0 | 0 | 0 | 112.9 | Q83 | Q83-P108 VanDerWaalsContact CD-O 3.3Å; Q83-P108 HydrophobicContact CG-CB 4.07Å; Q83-P108 WeakPolarHBondContact CG-O 3.31Å; Q83-P108 VanDerWaalsContact NE2-C 3.32Å; Q83-P108 PolarHBondContact NE2-O 3.4Å |
| 109 | R | 67.1 | Low | 77.8 | Confident | 199 Ų | 199 | 65.5 Ų | 65.5 | 75% | 0.751 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.4 | 177.4 | -71.1 | -177.1 | 167.9 | -175 | -2.4 | 114.4 | K107 | K107-R109 PolarHBondContact O-N 3.47Š|
| 110 | D | 70.9 | Confident | 77.7 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -87.1 | 138.6 | -174.3 | -68.2 | -35.2 | 0 | 0 | 0 | 112 | K107 L112 H122 | K107-D110 VanDerWaalsContact CB-OD2 3.3Å; K107-D110 WeakPolarHBondContact CB-OD2 3.5Å; K107-D110 PolarHBondContact N-OD2 3.44Å; K107-D110 PolarHBondContact O-N 2.76Å; D110-L112 PolarHBondContact O-N 2.83Å; D110-H122 IonicContact OD2-NE2 3.39Å; D110-H122 PolarHBondContact OD2-NE2 2.95Å |
| 111 | E | 77.8 | Confident | 77.8 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 120.2 | 173.2 | -48.8 | -160.4 | 124.1 | 0 | 0 | 108.4 | K82 H122 R123 | K82-E111 VanDerWaalsContact NZ-CD 3.34Å; K82-E111 IonicContact NZ-OE1 3.82Å; K82-E111 PolarHBondContact NZ-OE1 3.04Å; E111-H122 CarbonylContact O-C 3.53Å; E111-R123 HydrophobicContact CB-CB 3.8Å; E111-R123 VanDerWaalsContact O-CB 3.31Å; E111-R123 WeakPolarHBondContact O-CB 3.49Å; E111-R123 PolarHBondContact O-N 2.81Å; E111-R123 WeakPolarHBondContact OE2-CD 3.21Å; E111-R123 IonicContact OE2-CZ 2.88Å; E111-R123 IonicContact OE2-NE 2.89Å; E111-R123 IonicContact OE2-NH1 3.98Å; E111-R123 PolarHBondContact OE2-NH1 3.4Å |
| 112 | L | 80.6 | Confident | 77.9 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.4 | 174.2 | -52.5 | -169.8 | 0 | 0 | 0 | 111.3 | L86 V90 F106 D110 A120 F121 | L86-L112 HydrophobicContact CD1-CB 3.91Å; L86-L112 HydrophobicContact CD1-CD1 3.43Å; L86-L112 VanDerWaalsContact CD1-CD1 3.43Å; L86-L112 HydrophobicContact CD1-CG 3.68Å; L86-L112 HydrophobicContact CD2-CD1 3.8Å; L86-L112 HydrophobicContact CD2-CG 3.79Å; L86-L112 HydrophobicContact CG-CD1 3.85Å; L86-L112 HydrophobicContact CG-CG 4.22Å; V90-L112 HydrophobicContact CG2-CD1 4.39Å; F106-L112 HydrophobicContact CB-CD1 4.31Å; F106-L112 HydrophobicContact CB-CD2 4.3Å; F106-L112 HydrophobicContact CD1-CD1 4.1Å; F106-L112 HydrophobicContact CD1-CD2 3.2Å; F106-L112 HydrophobicContact CD1-CG 4.31Å; F106-L112 HydrophobicContact CD2-CD1 4.09Å; F106-L112 HydrophobicContact CE1-CD1 4.46Å; F106-L112 HydrophobicContact CE1-CD2 3.54Å; F106-L112 HydrophobicContact CE2-CD1 4.43Å; F106-L112 HydrophobicContact CG-CD1 3.92Å; F106-L112 HydrophobicContact CG-CD2 3.83Å; F106-L112 HydrophobicContact CZ-CD2 4.4Å; D110-L112 PolarHBondContact O-N 2.83Å; L112-A120 HydrophobicContact CD1-CB 4.4Å; L112-F121 CarbonylContact C-O 3.6Å; L112-F121 VanDerWaalsContact CA-O 3.32Å; L112-F121 WeakPolarHBondContact CA-O 3.23Å |
| 113 | G | 78.1 | Confident | 77.8 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A120 F121 | G113-A120 WeakPolarHBondContact O-CA 3.4Å; G113-F121 PolarHBondContact N-O 3.43Å; G113-F121 PolarHBondContact O-N 2.74Å |
| 114 | I | 78.8 | Confident | 77.9 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.6 | 176.5 | -58.9 | 170.4 | 0 | 0 | 0 | 107.6 | K89 H119 A120 | K89-I114 HydrophobicContact CD-CD1 4.07Å; I114-H119 WeakPolarHBondContact CA-O 3.35Å; I114-A120 HydrophobicContact CG1-CB 4.22Å |
| 115 | C | 75.8 | Confident | 78.1 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | trans | -70 | 155 | 171.6 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | C117 K118 H119 L126 | C115-C117 WeakPolarHBondContact CB-SG 3.24Å; C115-C117 PolarHBondContact O-N 2.78Å; C115-C117 VanDerWaalsContact O-N 3.11Å; C115-K118 WeakPolarHBondContact O-CA 3.46Å; C115-K118 PolarHBondContact O-N 3.21Å; C115-H119 PolarHBondContact N-O 3.06Å; C115-L126 VanDerWaalsContact SG-CD1 3.58Å | ||
| 116 | P | 75.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.6 | 177.9 | 27.7 | -36.2 | 0 | 0 | 0 | 113.3 | K118 V143 L146 | P116-K118 PolarHBondContact O-N 3.44Å; P116-V143 HydrophobicContact CG-CG1 4.39Å; P116-V143 WeakPolarHBondContact CG-O 3.26Å; P116-L146 HydrophobicContact CB-CB 3.62Å; P116-L146 HydrophobicContact CB-CD1 4.33Å; P116-L146 HydrophobicContact CG-CB 3.75Å; P116-L146 HydrophobicContact CG-CD1 4.06Å |
| 117 | C | 76.6 | Confident | 78.8 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 13.6 | 166.8 | 58.9 | 0 | 0 | 0 | 0 | 114 | C115 H119 C139 L146 | C115-C117 WeakPolarHBondContact CB-SG 3.24Å; C115-C117 PolarHBondContact O-N 2.78Å; C115-C117 VanDerWaalsContact O-N 3.11Å; C117-H119 PolarHBondContact O-N 2.74Å; C117-H119 PolarHBondContact SG-ND1 3.41Å; C117-H119 VanDerWaalsContact SG-ND1 3.39Å; C117-C139 PolarHBondContact SG-SG 3.22Å; C117-L146 HydrophobicContact CB-CD1 3.67Å |
| 118 | K | 75.3 | Confident | 79.5 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 68.5 | 0.9 | 179.6 | -54.1 | -176.5 | 179.3 | -174.1 | 0 | 116.7 | L95 C115 P116 | L95-K118 WeakPolarHBondContact CD1-O 3.17Å; C115-K118 WeakPolarHBondContact O-CA 3.46Å; C115-K118 PolarHBondContact O-N 3.21Å; P116-K118 PolarHBondContact O-N 3.44Å |
| 119 | H | 82.1 | Confident | 80.7 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | trans | -74.7 | 130.6 | 174.7 | -68.6 | 113.2 | 0 | 0 | 0 | 112.8 | I114 C115 C117 F121 L138 | I114-H119 WeakPolarHBondContact CA-O 3.35Å; C115-H119 PolarHBondContact N-O 3.06Å; C117-H119 PolarHBondContact O-N 2.74Å; C117-H119 PolarHBondContact SG-ND1 3.41Å; C117-H119 VanDerWaalsContact SG-ND1 3.39Å; H119-F121 HydrophobicContact CB-CE2 3.64Å; H119-F121 HydrophobicContact CB-CZ 3.81Å; H119-L138 HydrophobicContact CB-CD1 3.94Å; H119-L138 WeakPolarHBondContact CD2-CD1 3.37Å | ||
| 120 | A | 81.2 | Confident | 81.6 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L95 F106 L112 G113 I114 | L95-A120 HydrophobicContact CD1-CB 4.39Å; L95-A120 HydrophobicContact CD2-CB 3.1Å; L95-A120 HydrophobicContact CG-CB 3.71Å; F106-A120 HydrophobicContact CE2-CB 4.09Å; F106-A120 HydrophobicContact CZ-CB 4.05Å; F106-A120 WeakPolarHBondContact CZ-O 3.46Å; L112-A120 HydrophobicContact CD1-CB 4.4Å; G113-A120 WeakPolarHBondContact O-CA 3.4Å; I114-A120 HydrophobicContact CG1-CB 4.22Å |
| 121 | F | 85.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 164.8 | 170.8 | -52.7 | -81.4 | 0 | 0 | 0 | 108.6 | A100 V101 L112 G113 H119 R123 L126 P137 L138 | A100-F121 HydrophobicContact CB-CE1 4.02Å; V101-F121 HydrophobicContact CG2-CD1 3.98Å; L112-F121 CarbonylContact C-O 3.6Å; L112-F121 VanDerWaalsContact CA-O 3.32Å; L112-F121 WeakPolarHBondContact CA-O 3.23Å; G113-F121 PolarHBondContact N-O 3.43Å; G113-F121 PolarHBondContact O-N 2.74Å; H119-F121 HydrophobicContact CB-CE2 3.64Å; H119-F121 HydrophobicContact CB-CZ 3.81Å; F121-R123 PolarHBondContact O-N 2.97Å; F121-L126 HydrophobicContact CB-CB 4.15Å; F121-L126 HydrophobicContact CD2-CD1 3.96Å; F121-P137 HydrophobicContact CD1-CG 4.1Å; F121-P137 HydrophobicContact CE1-CG 3.47Å; F121-P137 VanDerWaalsContact CE1-CG 3.47Å; F121-P137 HydrophobicContact CE2-CG 4.05Å; F121-P137 HydrophobicContact CZ-CG 3.43Å; F121-P137 VanDerWaalsContact CZ-CG 3.43Å; F121-L138 HydrophobicContact CE1-CD1 3.7Å; F121-L138 HydrophobicContact CE1-CG 3.92Å; F121-L138 HydrophobicContact CZ-CB 4.28Å; F121-L138 HydrophobicContact CZ-CD1 3.53Å; F121-L138 HydrophobicContact CZ-CG 3.77Å |
| 122 | H | 86.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 7% | 0.069 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 134.2 | 165.8 | -67 | 128 | 0 | 0 | 0 | 109.5 | C99 C102 F106 D110 E111 K124 C125 L126 | C99-H122 WeakPolarHBondContact CB-ND1 2.95Å; C99-H122 PolarHBondContact SG-N 3.07Å; C102-H122 PolarHBondContact SG-ND1 2.77Å; F106-H122 AromaticContact CD1-CD2 3.7Å; F106-H122 AromaticContact CD1-CE1 3.98Å; F106-H122 AromaticContact CD1-NE2 3.4Å; F106-H122 WeakPolarHBondContact CD1-NE2 3.37Å; F106-H122 AromaticContact CE1-CD2 3.98Å; F106-H122 AromaticContact CE1-NE2 3.97Å; D110-H122 IonicContact OD2-NE2 3.39Å; D110-H122 PolarHBondContact OD2-NE2 2.95Å; E111-H122 CarbonylContact O-C 3.53Å; H122-K124 PolarHBondContact O-N 2.98Å; H122-C125 HydrophobicContact CB-CB 3.98Å; H122-C125 CarbonylContact O-C 3.57Å; H122-C125 WeakPolarHBondContact O-CA 3.28Å; H122-C125 PolarHBondContact O-N 2.87Å; H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 PolarHBondContact O-N 3.47Å |
| 123 | R | 84.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.4 | -42.5 | 179.3 | -177.4 | 177 | 175.1 | -118.1 | -3.5 | 111.2 | E111 F121 L126 I127 | E111-R123 HydrophobicContact CB-CB 3.8Å; E111-R123 VanDerWaalsContact O-CB 3.31Å; E111-R123 WeakPolarHBondContact O-CB 3.49Å; E111-R123 PolarHBondContact O-N 2.81Å; E111-R123 WeakPolarHBondContact OE2-CD 3.21Å; E111-R123 IonicContact OE2-CZ 2.88Å; E111-R123 IonicContact OE2-NE 2.89Å; E111-R123 IonicContact OE2-NH1 3.98Å; E111-R123 PolarHBondContact OE2-NH1 3.4Å; F121-R123 PolarHBondContact O-N 2.97Å; R123-L126 PolarHBondContact O-N 2.92Å; R123-I127 HydrophobicContact CG-CD1 3.77Å; R123-I127 HydrophobicContact CG-CG1 4.49Å; R123-I127 WeakPolarHBondContact O-CB 3.19Å; R123-I127 WeakPolarHBondContact O-CD1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 3.21Å; R123-I127 PolarHBondContact O-N 3.38Å |
| 124 | K | 84.9 | Confident | 83.2 | Confident | 158 Ų | 158 | 73.9 Ų | 73.9 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 175.7 | -64.7 | 179.1 | -177.7 | 173.7 | 0 | 112 | H122 K128 | H122-K124 PolarHBondContact O-N 2.98Å; K124-K128 WeakPolarHBondContact O-CG 3.31Å; K124-K128 PolarHBondContact O-N 3.28Å; K124-K128 VanDerWaalsContact O-N 3.13Å |
| 125 | C | 86.1 | Confident | 83.5 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 179.7 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | V101 H122 W129 | V101-C125 HydrophobicContact CB-CB 3.84Å; V101-C125 HydrophobicContact CG1-CB 3.8Å; V101-C125 HydrophobicContact CG2-CB 4.39Å; H122-C125 HydrophobicContact CB-CB 3.98Å; H122-C125 CarbonylContact O-C 3.57Å; H122-C125 WeakPolarHBondContact O-CA 3.28Å; H122-C125 PolarHBondContact O-N 2.87Å; C125-W129 WeakPolarHBondContact O-CB 3.44Å; C125-W129 PolarHBondContact O-N 3.3Å |
| 126 | L | 85.9 | Confident | 83.9 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176.7 | -175.3 | 58 | 0 | 0 | 0 | 111.3 | C115 F121 H122 R123 W129 L130 | C115-L126 VanDerWaalsContact SG-CD1 3.58Å; F121-L126 HydrophobicContact CB-CB 4.15Å; F121-L126 HydrophobicContact CD2-CD1 3.96Å; H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 PolarHBondContact O-N 3.47Å; R123-L126 PolarHBondContact O-N 2.92Å; L126-W129 PolarHBondContact O-N 3.44Å; L126-L130 HydrophobicContact CD1-CD1 3.91Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.48Å; L126-L130 HydrophobicContact CG-CD1 3.8Å; L126-L130 HydrophobicContact CG-CG 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 2.91Å |
| 127 | I | 85.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 178.7 | -69.4 | 165.5 | 0 | 0 | 0 | 110.4 | R123 W129 L130 E131 | R123-I127 HydrophobicContact CG-CD1 3.77Å; R123-I127 HydrophobicContact CG-CG1 4.49Å; R123-I127 WeakPolarHBondContact O-CB 3.19Å; R123-I127 WeakPolarHBondContact O-CD1 3.27Å; R123-I127 WeakPolarHBondContact O-CG1 3.21Å; R123-I127 PolarHBondContact O-N 3.38Å; I127-W129 VanDerWaalsContact C-N 3.28Å; I127-W129 PolarHBondContact O-N 2.8Å; I127-L130 CarbonylContact O-C 3.58Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-L130 VanDerWaalsContact O-N 3.14Å; I127-E131 WeakPolarHBondContact O-CG 3.2Å; I127-E131 PolarHBondContact O-N 3.3Å |
| 128 | K | 88.8 | Confident | 84.6 | Confident | 146 Ų | 146 | 74.8 Ų | 74.8 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.8 | -40.5 | 177.5 | -73.9 | -179.2 | 178.5 | -173.9 | 0 | 112.5 | K124 E131 | K124-K128 WeakPolarHBondContact O-CG 3.31Å; K124-K128 PolarHBondContact O-N 3.28Å; K124-K128 VanDerWaalsContact O-N 3.13Å; K128-E131 PolarHBondContact O-N 2.82Å |
| 129 | W | 89.1 | Confident | 84.9 | Confident | 83 Ų | 83 | 71 Ų | 71 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.1 | -177.6 | -93 | 0 | 0 | 0 | 111.7 | C125 L126 I127 E131 V132 R133 V135 P137 | C125-W129 WeakPolarHBondContact O-CB 3.44Å; C125-W129 PolarHBondContact O-N 3.3Å; L126-W129 PolarHBondContact O-N 3.44Å; I127-W129 VanDerWaalsContact C-N 3.28Å; I127-W129 PolarHBondContact O-N 2.8Å; W129-E131 PolarHBondContact O-N 2.91Å; W129-V132 PolarHBondContact O-N 2.83Å; W129-R133 PolarHBondContact O-N 2.94Å; W129-V135 VanDerWaalsContact CD1-O 3.26Å; W129-V135 PolarHBondContact NE1-O 3.37Å; W129-P137 HydrophobicContact CD2-CB 4.21Å; W129-P137 HydrophobicContact CH2-CB 4.35Å; W129-P137 HydrophobicContact CZ2-CB 3.81Å |
| 130 | L | 84.6 | Confident | 85 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.1 | -21.4 | 179.7 | -68.5 | 176.6 | 0 | 0 | 0 | 113.2 | L126 I127 V132 R133 K134 V143 | L126-L130 HydrophobicContact CD1-CD1 3.91Å; L126-L130 HydrophobicContact CD1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 4.48Å; L126-L130 HydrophobicContact CG-CD1 3.8Å; L126-L130 HydrophobicContact CG-CG 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.35Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 2.91Å; I127-L130 CarbonylContact O-C 3.58Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-L130 VanDerWaalsContact O-N 3.14Å; L130-V132 VanDerWaalsContact C-N 3.27Å; L130-R133 WeakPolarHBondContact CA-O 3.42Å; L130-K134 HydrophobicContact CB-CD 4.47Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 WeakPolarHBondContact O-CE 3.37Å; L130-K134 PolarHBondContact O-NZ 2.91Å; L130-V143 HydrophobicContact CD1-CG1 4.43Å; L130-V143 HydrophobicContact CD2-CB 4.17Å; L130-V143 HydrophobicContact CD2-CG2 3.76Å |
| 131 | E | 86.4 | Confident | 84.9 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.7 | -36.5 | 170 | -76.9 | 167.8 | -169.9 | 0 | 0 | 111.6 | I127 K128 W129 | I127-E131 WeakPolarHBondContact O-CG 3.2Å; I127-E131 PolarHBondContact O-N 3.3Å; K128-E131 PolarHBondContact O-N 2.82Å; W129-E131 PolarHBondContact O-N 2.91Å |
| 132 | V | 86.8 | Confident | 84.6 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -90.5 | -48.2 | -179.3 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | W129 L130 | W129-V132 PolarHBondContact O-N 2.83Å; L130-V132 VanDerWaalsContact C-N 3.27Å |
| 133 | R | 83.3 | Confident | 84 | Confident | 164 Ų | 164 | 80.3 Ų | 80.3 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | trans | -137.6 | 122.9 | -178 | -61.3 | -171.1 | 174.6 | 169.3 | -1 | 111 | W129 L130 V135 | W129-R133 PolarHBondContact O-N 2.94Å; L130-R133 WeakPolarHBondContact CA-O 3.42Å; R133-V135 HydrophobicContact CB-CG2 4.05Å; R133-V135 PolarHBondContact O-N 3.32Å | ||
| 134 | K | 84.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 80.7 Ų | 80.7 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -76.4 | 30.9 | -179.7 | -57.3 | -67.7 | 177.1 | -162.2 | 0 | 114.2 | L130 V143 | L130-K134 HydrophobicContact CB-CD 4.47Å; L130-K134 WeakPolarHBondContact O-CD 3.35Å; L130-K134 WeakPolarHBondContact O-CE 3.37Å; L130-K134 PolarHBondContact O-NZ 2.91Å; K134-V143 PolarHBondContact O-N 3.25Å |
| 135 | V | 86.2 | Confident | 81.8 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 24% | 0.242 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 152.4 | -177.3 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | W129 R133 M141 | W129-V135 VanDerWaalsContact CD1-O 3.26Å; W129-V135 PolarHBondContact NE1-O 3.37Å; R133-V135 HydrophobicContact CB-CG2 4.05Å; R133-V135 PolarHBondContact O-N 3.32Å; V135-M141 CarbonylContact C-O 3.59Å; V135-M141 WeakPolarHBondContact CA-O 3.5Å |
| 136 | C | 84.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -69.6 | 131.2 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | L138 C139 N140 M141 | C136-L138 PolarHBondContact O-N 2.81Å; C136-C139 VanDerWaalsContact CB-SG 3.51Å; C136-N140 WeakPolarHBondContact O-CA 3.32Å; C136-N140 PolarHBondContact O-N 2.85Å; C136-N140 PolarHBondContact O-OD1 2.93Å; C136-M141 PolarHBondContact N-O 3.26Å | ||
| 137 | P | 83.6 | Confident | 78.8 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 21% | 0.214 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16 | -179.1 | 26.3 | -33.4 | 0 | 0 | 0 | 114.3 | V101 F121 W129 | V101-P137 HydrophobicContact CG2-CG 3.96Å; F121-P137 HydrophobicContact CD1-CG 4.1Å; F121-P137 HydrophobicContact CE1-CG 3.47Å; F121-P137 VanDerWaalsContact CE1-CG 3.47Å; F121-P137 HydrophobicContact CE2-CG 4.05Å; F121-P137 HydrophobicContact CZ-CG 3.43Å; F121-P137 VanDerWaalsContact CZ-CG 3.43Å; W129-P137 HydrophobicContact CD2-CB 4.21Å; W129-P137 HydrophobicContact CH2-CB 4.35Å; W129-P137 HydrophobicContact CZ2-CB 3.81Å |
| 138 | L | 82.3 | Confident | 77.2 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -33.3 | 178.8 | -76.5 | 169.3 | 0 | 0 | 0 | 113.7 | A100 H119 F121 C136 | A100-L138 HydrophobicContact CB-CD1 4.45Å; A100-L138 HydrophobicContact CB-CD2 3.84Å; A100-L138 HydrophobicContact CB-CG 4.15Å; H119-L138 HydrophobicContact CB-CD1 3.94Å; H119-L138 WeakPolarHBondContact CD2-CD1 3.37Å; F121-L138 HydrophobicContact CE1-CD1 3.7Å; F121-L138 HydrophobicContact CE1-CG 3.92Å; F121-L138 HydrophobicContact CZ-CB 4.28Å; F121-L138 HydrophobicContact CZ-CD1 3.53Å; F121-L138 HydrophobicContact CZ-CG 3.77Å; C136-L138 PolarHBondContact O-N 2.81Å |
| 139 | C | 81.8 | Confident | 75.5 | Confident | 49 Ų | 49 | 82 Ų | 82 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 2.8 | -172.3 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | C117 C136 M141 | C117-C139 PolarHBondContact SG-SG 3.22Å; C136-C139 VanDerWaalsContact CB-SG 3.51Å; C139-M141 HydrophobicContact CB-CG 4.34Å; C139-M141 PolarHBondContact O-N 3.49Å |
| 140 | N | 83.2 | Confident | 73.7 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | trans | 53 | 12.4 | -176.4 | -70.8 | -1.4 | 0 | 0 | 0 | 115.7 | C136 | C136-N140 WeakPolarHBondContact O-CA 3.32Å; C136-N140 PolarHBondContact O-N 2.85Å; C136-N140 PolarHBondContact O-OD1 2.93Å | ||
| 141 | M | 80.1 | Confident | 71.9 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | trans | -74.2 | 137.9 | 177.4 | -70.6 | -63.9 | -71.2 | 0 | 0 | 111 | V135 C136 C139 V143 L146 | V135-M141 CarbonylContact C-O 3.59Å; V135-M141 WeakPolarHBondContact CA-O 3.5Å; C136-M141 PolarHBondContact N-O 3.26Å; C139-M141 HydrophobicContact CB-CG 4.34Å; C139-M141 PolarHBondContact O-N 3.49Å; M141-V143 PolarHBondContact O-N 3.09Å; M141-L146 HydrophobicContact CB-CD1 4.16Å; M141-L146 HydrophobicContact CE-CD2 4.16Å; M141-L146 HydrophobicContact CE-CG 4.45Å | ||
| 142 | P | 77.7 | Confident | 69.9 | Low | 39 Ų | 39 | 89 Ų | 89 | 25% | 0.253 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 127.5 | 177.2 | 25.2 | -33.1 | 0 | 0 | 0 | 111 | L144 Q145 | P142-L144 PolarHBondContact O-N 3.03Å; P142-Q145 HydrophobicContact CB-CB 4.15Å; P142-Q145 HydrophobicContact CG-CB 3.63Å; P142-Q145 HydrophobicContact CG-CG 4.47Å; P142-Q145 PolarHBondContact O-N 2.85Å |
| 143 | V | 74.1 | Confident | 67.9 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 22% | 0.218 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.1 | -178 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | P116 L130 K134 M141 | P116-V143 HydrophobicContact CG-CG1 4.39Å; P116-V143 WeakPolarHBondContact CG-O 3.26Å; L130-V143 HydrophobicContact CD1-CG1 4.43Å; L130-V143 HydrophobicContact CD2-CB 4.17Å; L130-V143 HydrophobicContact CD2-CG2 3.76Å; K134-V143 PolarHBondContact O-N 3.25Å; M141-V143 PolarHBondContact O-N 3.09Å |
| 144 | L | 67.5 | Low | 66.1 | Low | 136 Ų | 136 | 90.6 Ų | 90.6 | 71% | 0.712 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -22.3 | 179.6 | -73.4 | 159.9 | 0 | 0 | 0 | 114.1 | P142 | P142-L144 PolarHBondContact O-N 3.03Š|
| 145 | Q | 56 | Low | 64 | Low | 117 Ų | 117 | 96 Ų | 96 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -16.1 | -163.6 | -139.7 | 142.6 | -16.6 | 0 | 0 | 114.1 | P142 | P142-Q145 HydrophobicContact CB-CB 4.15Å; P142-Q145 HydrophobicContact CG-CB 3.63Å; P142-Q145 HydrophobicContact CG-CG 4.47Å; P142-Q145 PolarHBondContact O-N 2.85Å |
| 146 | L | 54.7 | Low | 61.8 | Low | 21 Ų | 21 | 97.4 Ų | 97.4 | 11% | 0.11 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -83.6 | -15.3 | -177.4 | -75 | 166.3 | 0 | 0 | 0 | 114 | P116 C117 M141 Q148 L149 | P116-L146 HydrophobicContact CB-CB 3.62Å; P116-L146 HydrophobicContact CB-CD1 4.33Å; P116-L146 HydrophobicContact CG-CB 3.75Å; P116-L146 HydrophobicContact CG-CD1 4.06Å; C117-L146 HydrophobicContact CB-CD1 3.67Å; M141-L146 HydrophobicContact CB-CD1 4.16Å; M141-L146 HydrophobicContact CE-CD2 4.16Å; M141-L146 HydrophobicContact CE-CG 4.45Å; L146-Q148 PolarHBondContact O-N 2.98Å; L146-L149 HydrophobicContact CD2-CB 4.47Å; L146-L149 HydrophobicContact CD2-CD1 3.97Å; L146-L149 PolarHBondContact O-N 2.91Å |
| 147 | A | 54.2 | Low | 59.8 | Low | 82 Ų | 82 | 103 Ų | 103 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -24.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 148 | Q | 52.4 | Low | 58.1 | Low | 145 Ų | 145 | 107.5 Ų | 107.5 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -93.1 | -22.2 | -178.7 | -63.5 | -179.3 | -39.8 | 0 | 0 | 113.2 | L146 | L146-Q148 PolarHBondContact O-N 2.98Å |
| 149 | L | 52 | Low | 56.2 | Low | 79 Ų | 79 | 112.7 Ų | 112.7 | 41% | 0.414 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -83.8 | -28.2 | -178.1 | -72.7 | 172.1 | 0 | 0 | 0 | 113.4 | L146 S151 K152 Q153 | L146-L149 HydrophobicContact CD2-CB 4.47Å; L146-L149 HydrophobicContact CD2-CD1 3.97Å; L146-L149 PolarHBondContact O-N 2.91Å; L149-S151 PolarHBondContact O-N 2.77Å; L149-S151 VanDerWaalsContact O-N 3.13Å; L149-K152 PolarHBondContact O-N 3.46Å; L149-Q153 PolarHBondContact O-N 3.19Å |
| 150 | H | 51.3 | Low | 54.6 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -10.3 | 172 | -76.4 | -167.5 | 0 | 0 | 0 | 114 | ||
| 151 | S | 47.8 | Very low | 52.8 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -12.5 | 173 | -169.5 | 0 | 0 | 0 | 0 | 113.3 | L149 | L149-S151 PolarHBondContact O-N 2.77Å; L149-S151 VanDerWaalsContact O-N 3.13Å |
| 152 | K | 43 | Very low | 51.4 | Low | 171 Ų | 171 | 118 Ų | 118 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -10.5 | -174.9 | -135.5 | -178.5 | -176.8 | -173.2 | 0 | 114.4 | L149 | L149-K152 PolarHBondContact O-N 3.46Š|
| 153 | Q | 45.1 | Very low | 49.8 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 22.2 | -178 | -145.4 | 165.2 | -12.5 | 0 | 0 | 113.6 | L149 | L149-Q153 PolarHBondContact O-N 3.19Š|
| 154 | D | 45.3 | Very low | 48.6 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 20.8 | 172.6 | -147 | -98.2 | 0 | 0 | 0 | 112.3 | ||
| 155 | R | 40.4 | Very low | 47.8 | Very low | 234 Ų | 234 | 121.9 Ų | 121.9 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -135.3 | 98.9 | 172.3 | -82.2 | -159.4 | -95.1 | -155.5 | -4.9 | 113.9 | ||||
| 156 | G | 40.9 | Very low | 47.7 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | 117.3 | 144.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 157 | P | 42.6 | Very low | 47.2 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | cis | -118.8 | 155.2 | 40.4 | 35.9 | -25.2 | 0 | 0 | 0 | 115.6 | ||||
| 158 | P | 47.1 | Very low | 47 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 125 | 168.7 | 31 | -30.9 | 0 | 0 | 0 | 109.7 | G160 | P158-G160 PolarHBondContact O-N 3.38Š| ||
| 159 | Q | 43.9 | Very low | 46.9 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -78 | 99.7 | 168.5 | -66.2 | -179.5 | 4.5 | 0 | 0 | 108.1 | ||||
| 160 | G | 46.6 | Very low | 46.7 | Very low | 57 Ų | 57 | 141.3 Ų | 141.3 | 59% | 0.588 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P158 L162 | P158-G160 PolarHBondContact O-N 3.38Å; G160-L162 PolarHBondContact O-N 2.87Å |
| 161 | P | 46.8 | Very low | 46.4 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.3 | 175.1 | -16.4 | 29.8 | 0 | 0 | 0 | 110.8 | ||
| 162 | L | 49.3 | Very low | 46.4 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.9 | 174.7 | -72.1 | 168.3 | 0 | 0 | 0 | 110.3 | G160 | G160-L162 PolarHBondContact O-N 2.87Š|
| 163 | P | 44.5 | Very low | 46.6 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 137 | 166.1 | 32.2 | -29.7 | 0 | 0 | 0 | 109.2 | ||
| 164 | G | 50.3 | Low | 46.7 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 159.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 165 | A | 50.5 | Low | 46.7 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | 179.8 | 116 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 166 | E | 52.5 | Low | 47.2 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | -168.4 | 146.2 | 121.8 | 54.9 | -164.4 | 135.2 | 0 | 0 | 111.3 | |||||
| 167 | N | 45.3 | Very low | 47.7 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 85% | 0.845 | S | S | * | * | trans | -107.3 | 162.5 | -162.5 | -90.7 | -67.3 | 0 | 0 | 0 | 110.8 | ||||
| 168 | I | 49.4 | Very low | 48.1 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | trans | 73 | 108.5 | 150.2 | -60.3 | 146.2 | 0 | 0 | 0 | 117.8 | ||||
| 169 | V | 51.2 | Low | 48.2 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 100% | 1.285 | 85% | 0.854 | S | S | * | * | -159 | 0 | 102 | 145.2 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 169 of 169 residues in 143.7 ms
(Link to these results)