| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 45.1 | Very low | 252 Ų | 252 | 158.5 Ų | 158.5 | 100% | 1.241 | 79% | 0.794 | S | S | * | * | 0 | 108.1 | 0 | -82.5 | 179 | 171.1 | 0 | 0 | 106.8 | |||||
| 2 | E | 42.9 | Very low | 44.4 | Very low | 95 Ų | 95 | 151 Ų | 151 | 44% | 0.444 | 79% | 0.787 | S | S | . | * | trans | -114.4 | 141.9 | -179.4 | -98.8 | -166.9 | 139.7 | 0 | 0 | 109.7 | C62 | E2-C62 HydrophobicContact CB-CB 4.09Å; E2-C62 WeakPolarHBondContact CB-SG 3.07Å; E2-C62 WeakPolarHBondContact OE2-CA 3.34Å; E2-C62 WeakPolarHBondContact OE2-CB 3.42Å; E2-C62 PolarHBondContact OE2-SG 3.37Å | ||
| 3 | P | 47.3 | Very low | 44.5 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -81.8 | 131.4 | -163.2 | 29.8 | -33.2 | 0 | 0 | 0 | 112.9 | V5 | P3-V5 PolarHBondContact O-N 3.33Å; P3-V5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | K | 44.4 | Very low | 44.8 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -65.6 | 103.1 | 169.9 | -104.5 | 167.3 | 174.2 | 167.6 | 0 | 109.8 | D6 | K4-D6 PolarHBondContact O-N 3.35Š| ||
| 5 | V | 49.1 | Very low | 44.6 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -82 | 108.7 | 169.7 | 169.8 | 0 | 0 | 0 | 0 | 108.1 | P3 S7 | P3-V5 PolarHBondContact O-N 3.33Å; P3-V5 VanDerWaalsContact O-N 3.12Å; V5-S7 PolarHBondContact O-N 3.12Å | ||
| 6 | D | 39.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | trans | -70.8 | 97 | 176 | -152.5 | -26.5 | 0 | 0 | 0 | 109 | K4 R8 R9 | K4-D6 PolarHBondContact O-N 3.35Å; D6-R8 PolarHBondContact O-N 3.09Å; D6-R8 IonicContact OD1-NE 2.71Å; D6-R9 PolarHBondContact O-N 2.79Å | ||
| 7 | S | 49.6 | Very low | 44.5 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 5.9 | -175.1 | -164.3 | 0 | 0 | 0 | 0 | 114.1 | V5 | V5-S7 PolarHBondContact O-N 3.12Š|
| 8 | R | 46.6 | Very low | 44.6 | Very low | 223 Ų | 223 | 154.7 Ų | 154.7 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -0.9 | 177.2 | -78.8 | -170.2 | -89.9 | -160 | -8.1 | 114.7 | D6 G10 | D6-R8 PolarHBondContact O-N 3.09Å; D6-R8 IonicContact OD1-NE 2.71Å; R8-G10 PolarHBondContact O-N 2.72Å |
| 9 | R | 44.2 | Very low | 44.6 | Very low | 233 Ų | 233 | 154.7 Ų | 154.7 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -78.8 | 69 | 163.4 | -68.9 | -172 | -173.3 | -155.8 | 2.1 | 109.2 | D6 F11 | D6-R9 PolarHBondContact O-N 2.79Å; R9-F11 PolarHBondContact O-N 3.03Å | ||
| 10 | G | 44 | Very low | 44.5 | Very low | 61 Ų | 61 | 157 Ų | 157 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -49.4 | 126.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | R8 G12 | R8-G10 PolarHBondContact O-N 2.72Å; G10-G12 PolarHBondContact O-N 3.1Å | ||
| 11 | F | 50.2 | Low | 44.7 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -44.8 | 102.3 | 177.3 | -69.7 | -94.6 | 0 | 0 | 0 | 109.4 | R9 I13 | R9-F11 PolarHBondContact O-N 3.03Å; F11-I13 PolarHBondContact O-N 3.35Å | ||
| 12 | G | 37.5 | Very low | 44.9 | Very low | 69 Ų | 69 | 152.1 Ų | 152.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -61.8 | 109.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | G10 P14 | G10-G12 PolarHBondContact O-N 3.1Å; G12-P14 VanDerWaalsContact O-CD 3.3Å; G12-P14 WeakPolarHBondContact O-CD 3.07Å; G12-P14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | I | 45.3 | Very low | 45 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 119.4 | 171.9 | -58.7 | 173.7 | 0 | 0 | 0 | 106.6 | F11 R15 | F11-I13 PolarHBondContact O-N 3.35Å; I13-R15 PolarHBondContact O-N 3.46Å | ||
| 14 | P | 48.3 | Very low | 44.6 | Very low | 86 Ų | 86 | 153.1 Ų | 153.1 | 56% | 0.558 | 78% | 0.781 | S | S | * | * | trans | -60.3 | 111 | 178.2 | -19.4 | 30.3 | 0 | 0 | 0 | 108.8 | G12 Y16 | G12-P14 VanDerWaalsContact O-CD 3.3Å; G12-P14 WeakPolarHBondContact O-CD 3.07Å; G12-P14 VanDerWaalsContact O-N 3.17Å; P14-Y16 HydrophobicContact CB-CE2 4.05Å; P14-Y16 WeakPolarHBondContact O-CD2 3.12Å; P14-Y16 PolarHBondContact O-N 2.68Å; P14-Y16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | R | 42.1 | Very low | 44.5 | Very low | 242 Ų | 242 | 151.7 Ų | 151.7 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -78.2 | 95 | 172.5 | -67.6 | -176.2 | -179.9 | 179.6 | -0.3 | 107 | I13 H17 | I13-R15 PolarHBondContact O-N 3.46Å; R15-H17 PolarHBondContact O-N 3.38Å | ||
| 16 | Y | 47.8 | Very low | 44.2 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -61.6 | 109.8 | 171 | -65.3 | -85.1 | 0 | 0 | 0 | 108.3 | P14 N18 | P14-Y16 HydrophobicContact CB-CE2 4.05Å; P14-Y16 WeakPolarHBondContact O-CD2 3.12Å; P14-Y16 PolarHBondContact O-N 2.68Å; P14-Y16 VanDerWaalsContact O-N 3.11Å; Y16-N18 PolarHBondContact O-N 3.43Å; Y16-N18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | H | 40.1 | Very low | 44.6 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -73.3 | 97.4 | 176 | -173.2 | -86.4 | 0 | 0 | 0 | 107.5 | R15 E19 | R15-H17 PolarHBondContact O-N 3.38Å; H17-E19 VanDerWaalsContact C-N 3.33Å; H17-E19 WeakPolarHBondContact ND1-CG 3.09Å; H17-E19 PolarHBondContact O-N 3.43Å | ||
| 18 | N | 46.1 | Very low | 44.2 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -70.8 | 95 | 170.8 | -72.3 | -46.3 | 0 | 0 | 0 | 107.5 | Y16 K20 | Y16-N18 PolarHBondContact O-N 3.43Å; Y16-N18 VanDerWaalsContact O-N 3.1Å; N18-K20 PolarHBondContact O-N 3.01Å; N18-K20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | E | 44.2 | Very low | 44.3 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | -58.1 | 116.2 | 168.6 | -62.8 | -176.1 | 156 | 0 | 0 | 107.3 | H17 L21 | H17-E19 VanDerWaalsContact C-N 3.33Å; H17-E19 WeakPolarHBondContact ND1-CG 3.09Å; H17-E19 PolarHBondContact O-N 3.43Å; E19-L21 PolarHBondContact O-N 3.15Å | ||
| 20 | K | 43 | Very low | 44.1 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -59.9 | 104.7 | 174.6 | -69.9 | 175.7 | 177.8 | -179.9 | 0 | 106.7 | N18 D22 | N18-K20 PolarHBondContact O-N 3.01Å; N18-K20 VanDerWaalsContact O-N 3.12Å; K20-D22 PolarHBondContact O-N 3.47Å | ||
| 21 | L | 48.5 | Very low | 44.4 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 87.5 | 165.4 | -74.9 | 167.7 | 0 | 0 | 0 | 106.9 | E19 | E19-L21 PolarHBondContact O-N 3.15Š| ||
| 22 | D | 42.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -65.8 | 139.6 | 163.9 | -164.1 | 20.2 | 0 | 0 | 0 | 107.8 | K20 | K20-D22 PolarHBondContact O-N 3.47Š| ||
| 23 | N | 43.4 | Very low | 44.7 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 91.5 | 76.9 | 178.7 | -45.2 | -47.2 | 0 | 0 | 0 | 117.3 | E25 | N23-E25 PolarHBondContact O-N 3.49Š|
| 24 | G | 40.2 | Very low | 44.8 | Very low | 89 Ų | 89 | 148.7 Ų | 148.7 | 92% | 0.918 | 78% | 0.776 | S | S | * | * | S | Bend | 82.7 | 21 | 113.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||
| 25 | E | 42.5 | Very low | 44.6 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -136.7 | 107.3 | 166.8 | -142.4 | 175.1 | 163.3 | 0 | 0 | 108.1 | N23 P27 | N23-E25 PolarHBondContact O-N 3.49Å; E25-P27 WeakPolarHBondContact O-CD 3.34Å | ||
| 26 | D | 42.9 | Very low | 44.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -48.2 | 109.4 | 175.1 | -92.2 | -52.8 | 0 | 0 | 0 | 108.5 | S28 | D26-S28 PolarHBondContact O-N 3Š| ||
| 27 | P | 46.5 | Very low | 44.5 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -73 | 90.9 | 163.1 | 32.3 | -26.3 | 0 | 0 | 0 | 102.9 | E25 V29 | E25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-V29 HydrophobicContact CB-CG2 4.09Å; P27-V29 HydrophobicContact CG-CG2 4.31Å; P27-V29 WeakPolarHBondContact O-CG2 3.34Å; P27-V29 PolarHBondContact O-N 2.91Å | ||
| 28 | S | 42.8 | Very low | 44.9 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -55.1 | 79.6 | 146.3 | 175 | 0 | 0 | 0 | 0 | 104.6 | D26 N30 | D26-S28 PolarHBondContact O-N 3Å; S28-N30 PolarHBondContact O-N 2.83Å | ||
| 29 | V | 48.7 | Very low | 45 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -61.3 | 100.7 | -177.6 | -160.2 | 0 | 0 | 0 | 0 | 101.8 | P27 S31 | P27-V29 HydrophobicContact CB-CG2 4.09Å; P27-V29 HydrophobicContact CG-CG2 4.31Å; P27-V29 WeakPolarHBondContact O-CG2 3.34Å; P27-V29 PolarHBondContact O-N 2.91Å; V29-S31 PolarHBondContact O-N 2.74Å | ||
| 30 | N | 38.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -45.1 | 95.8 | 178 | -94 | -37.3 | 0 | 0 | 0 | 107.1 | S28 K32 M33 | S28-N30 PolarHBondContact O-N 2.83Å; N30-K32 PolarHBondContact O-N 3.05Å; N30-M33 PolarHBondContact O-N 2.91Å | ||
| 31 | S | 51.1 | Low | 45.5 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63 | -2.3 | 175.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | V29 M33 | V29-S31 PolarHBondContact O-N 2.74Å; S31-M33 VanDerWaalsContact C-N 3.26Å; S31-M33 PolarHBondContact O-N 3.24Å |
| 32 | K | 47.1 | Very low | 45.9 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -72.8 | -1.3 | 172.3 | -84.6 | -176.1 | 174.2 | 176.6 | 0 | 115.6 | N30 S35 | N30-K32 PolarHBondContact O-N 3.05Å; K32-S35 PolarHBondContact O-OG 2.86Å |
| 33 | M | 46.7 | Very low | 46.5 | Very low | 172 Ų | 172 | 134 Ų | 134 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -106.8 | 34.8 | 174.4 | -142.1 | 156.8 | 98.4 | 0 | 0 | 114.1 | N30 S31 | N30-M33 PolarHBondContact O-N 2.91Å; S31-M33 VanDerWaalsContact C-N 3.26Å; S31-M33 PolarHBondContact O-N 3.24Å |
| 34 | L | 47.4 | Very low | 47 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -114.5 | 16.4 | 165.8 | -70.1 | 176.5 | 0 | 0 | 0 | 113.1 | Y36 | L34-Y36 PolarHBondContact O-N 2.71Š| ||
| 35 | S | 43.6 | Very low | 47.7 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -84 | 5.7 | 170.3 | 40.4 | 0 | 0 | 0 | 0 | 113.4 | K32 | K32-S35 PolarHBondContact O-OG 2.86Š| ||
| 36 | Y | 42 | Very low | 47.9 | Very low | 202 Ų | 202 | 132.9 Ų | 132.9 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 123.9 | 177.7 | -132.5 | -100 | 0 | 0 | 0 | 110.8 | L34 | L34-Y36 PolarHBondContact O-N 2.71Š|
| 37 | N | 46.1 | Very low | 48.4 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.4 | 25.1 | 173.4 | -53 | -29.5 | 0 | 0 | 0 | 118.2 | S39 I40 | N37-S39 PolarHBondContact O-N 2.71Å; N37-I40 HydrophobicContact CB-CD1 4.34Å; N37-I40 HydrophobicContact CB-CG1 4.2Å |
| 38 | R | 48.3 | Very low | 48.6 | Very low | 248 Ų | 248 | 130.5 Ų | 130.5 | 94% | 0.936 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -4.8 | 156.1 | -156.9 | 176.3 | -171.1 | -179.5 | 3.5 | 112.8 | ||
| 39 | S | 47.4 | Very low | 49 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 27.1 | -178.9 | -37.7 | 0 | 0 | 0 | 0 | 112.9 | N37 S41 | N37-S39 PolarHBondContact O-N 2.71Å; S39-S41 PolarHBondContact O-N 3Å |
| 40 | I | 51.5 | Low | 49.2 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 48% | 0.482 | 68% | 0.678 | S | S | . | * | trans | -67.6 | 83.4 | 156.3 | -56.6 | 174.5 | 0 | 0 | 0 | 104.6 | N37 D42 L44 L45 | N37-I40 HydrophobicContact CB-CD1 4.34Å; N37-I40 HydrophobicContact CB-CG1 4.2Å; I40-D42 PolarHBondContact O-N 2.98Å; I40-L44 HydrophobicContact CG2-CB 4.1Å; I40-L45 HydrophobicContact CG2-CD1 4.46Å; I40-L45 HydrophobicContact CG2-CG 4.39Å | ||
| 41 | S | 46.8 | Very low | 49.9 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 46% | 0.462 | 67% | 0.673 | S | S | . | * | trans | -50 | 137.1 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | S39 E43 L44 | S39-S41 PolarHBondContact O-N 3Å; S41-E43 PolarHBondContact O-N 3.13Å; S41-L44 PolarHBondContact O-N 3.43Å | ||
| 42 | D | 56.7 | Low | 49.9 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -20.8 | 178.5 | -71.2 | -52.7 | 0 | 0 | 0 | 112.5 | I40 L44 L45 K46 | I40-D42 PolarHBondContact O-N 2.98Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.14Å; D42-L45 CarbonylContact O-C 3.46Å; D42-L45 WeakPolarHBondContact O-CB 3.3Å; D42-L45 PolarHBondContact O-N 2.75Å; D42-L45 VanDerWaalsContact O-N 3.14Å; D42-K46 PolarHBondContact O-N 3.39Å; D42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | E | 55 | Low | 50.2 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -37.7 | 168.6 | -68.6 | -97.7 | 115.1 | 0 | 0 | 114 | S41 K46 | S41-E43 PolarHBondContact O-N 3.13Å; E43-K46 VanDerWaalsContact O-CB 3.28Å; E43-K46 WeakPolarHBondContact O-CB 3.34Å; E43-K46 WeakPolarHBondContact O-CG 3.37Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-K46 IonicContact OE1-NZ 3.15Å; E43-K46 PolarHBondContact OE1-NZ 2.88Å |
| 44 | L | 55.4 | Low | 50.3 | Low | 136 Ų | 136 | 126.7 Ų | 126.7 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -20.7 | 176.4 | -65 | 177.3 | 0 | 0 | 0 | 112.5 | I40 S41 D42 | I40-L44 HydrophobicContact CG2-CB 4.1Å; S41-L44 PolarHBondContact O-N 3.43Å; D42-L44 VanDerWaalsContact C-N 3.31Å; D42-L44 PolarHBondContact O-N 3.14Å |
| 45 | L | 54.7 | Low | 50.6 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 59% | 0.586 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -0.9 | 168.2 | -87.7 | 156.4 | 0 | 0 | 0 | 112.5 | I40 D42 V47 | I40-L45 HydrophobicContact CG2-CD1 4.46Å; I40-L45 HydrophobicContact CG2-CG 4.39Å; D42-L45 CarbonylContact O-C 3.46Å; D42-L45 WeakPolarHBondContact O-CB 3.3Å; D42-L45 PolarHBondContact O-N 2.75Å; D42-L45 VanDerWaalsContact O-N 3.14Å; L45-V47 PolarHBondContact O-N 3.47Å |
| 46 | K | 46.4 | Very low | 50.8 | Low | 135 Ų | 135 | 122.4 Ų | 122.4 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -62.3 | 86.9 | 158.6 | -68.8 | 173.7 | 176 | 165.2 | 0 | 106.7 | D42 E43 P48 | D42-K46 PolarHBondContact O-N 3.39Å; D42-K46 VanDerWaalsContact O-N 3.13Å; E43-K46 VanDerWaalsContact O-CB 3.28Å; E43-K46 WeakPolarHBondContact O-CB 3.34Å; E43-K46 WeakPolarHBondContact O-CG 3.37Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-K46 IonicContact OE1-NZ 3.15Å; E43-K46 PolarHBondContact OE1-NZ 2.88Å; K46-P48 WeakPolarHBondContact O-CD 3.28Å |
| 47 | V | 54.4 | Low | 51.2 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 71% | 0.709 | 63% | 0.633 | S | S | * | * | trans | -40.6 | 113.5 | 165 | 176.7 | 0 | 0 | 0 | 0 | 104.8 | L45 H49 | L45-V47 PolarHBondContact O-N 3.47Å; V47-H49 PolarHBondContact O-N 3.06Å | ||
| 48 | P | 50.4 | Low | 51.2 | Low | 96 Ų | 96 | 118 Ų | 118 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | trans | -53.3 | 128 | 177.5 | 19.3 | -29 | 0 | 0 | 0 | 105.7 | K46 I50 | K46-P48 WeakPolarHBondContact O-CD 3.28Å; P48-I50 HydrophobicContact CG-CG1 4.42Å; P48-I50 WeakPolarHBondContact O-CG1 3.45Å; P48-I50 PolarHBondContact O-N 3.11Å | ||
| 49 | H | 51 | Low | 51.2 | Low | 148 Ų | 148 | 115.5 Ų | 115.5 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | trans | -62.6 | 93.5 | 174.3 | -168.2 | -129.5 | 0 | 0 | 0 | 105.9 | V47 E51 | V47-H49 PolarHBondContact O-N 3.06Å; H49-E51 WeakPolarHBondContact CE1-CG 3.49Å; H49-E51 IonicContact CE1-OE1 3.47Å; H49-E51 PolarHBondContact CE1-OE1 3.12Å; H49-E51 IonicContact CE1-OE2 3.01Å; H49-E51 VanDerWaalsContact ND1-CG 3.3Å; H49-E51 WeakPolarHBondContact ND1-CG 3.3Å; H49-E51 IonicContact ND1-OE1 3.8Å; H49-E51 PolarHBondContact ND1-OE1 3.26Å; H49-E51 IonicContact ND1-OE2 3.58Å; H49-E51 PolarHBondContact ND1-OE2 3.1Å; H49-E51 VanDerWaalsContact ND1-OE2 3.15Å; H49-E51 PolarHBondContact O-N 2.99Å | ||
| 50 | I | 52.4 | Low | 51 | Low | 95 Ų | 95 | 120.8 Ų | 120.8 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | trans | -74.9 | 76.1 | -177.9 | -68.3 | 158.4 | 0 | 0 | 0 | 106 | P48 L53 | P48-I50 HydrophobicContact CG-CG1 4.42Å; P48-I50 WeakPolarHBondContact O-CG1 3.45Å; P48-I50 PolarHBondContact O-N 3.11Å; I50-L53 HydrophobicContact CB-CD1 4.33Å; I50-L53 HydrophobicContact CD1-CD1 3.9Å; I50-L53 HydrophobicContact CG1-CD1 3.98Å; I50-L53 HydrophobicContact CG2-CB 3.32Å; I50-L53 HydrophobicContact CG2-CD1 3.31Å; I50-L53 HydrophobicContact CG2-CG 3.49Å; I50-L53 VanDerWaalsContact CG2-CG 3.49Å | ||
| 51 | E | 54.3 | Low | 51 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 58% | 0.575 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -80.4 | -11.5 | 170.7 | -85.8 | 177.3 | 143.9 | 0 | 0 | 111.9 | H49 | H49-E51 WeakPolarHBondContact CE1-CG 3.49Å; H49-E51 IonicContact CE1-OE1 3.47Å; H49-E51 PolarHBondContact CE1-OE1 3.12Å; H49-E51 IonicContact CE1-OE2 3.01Å; H49-E51 VanDerWaalsContact ND1-CG 3.3Å; H49-E51 WeakPolarHBondContact ND1-CG 3.3Å; H49-E51 IonicContact ND1-OE1 3.8Å; H49-E51 PolarHBondContact ND1-OE1 3.26Å; H49-E51 IonicContact ND1-OE2 3.58Å; H49-E51 PolarHBondContact ND1-OE2 3.1Å; H49-E51 VanDerWaalsContact ND1-OE2 3.15Å; H49-E51 PolarHBondContact O-N 2.99Å |
| 52 | H | 50.4 | Low | 51 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -130.4 | 12.5 | -167.5 | -61.5 | 131.9 | 0 | 0 | 0 | 115.9 | T54 T55 | H52-T54 VanDerWaalsContact C-N 3.25Å; H52-T55 PolarHBondContact O-OG1 3.49Å |
| 53 | L | 52.9 | Low | 50.4 | Low | 100 Ų | 100 | 120 Ų | 120 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -73.7 | -20.5 | 167.6 | -84.1 | 164.6 | 0 | 0 | 0 | 112.4 | I50 T55 L57 | I50-L53 HydrophobicContact CB-CD1 4.33Å; I50-L53 HydrophobicContact CD1-CD1 3.9Å; I50-L53 HydrophobicContact CG1-CD1 3.98Å; I50-L53 HydrophobicContact CG2-CB 3.32Å; I50-L53 HydrophobicContact CG2-CD1 3.31Å; I50-L53 HydrophobicContact CG2-CG 3.49Å; I50-L53 VanDerWaalsContact CG2-CG 3.49Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 2.94Å; L53-L57 PolarHBondContact O-N 3.44Å |
| 54 | T | 50.2 | Low | 50 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -25.3 | -179 | -17.3 | 0 | 0 | 0 | 0 | 113 | H52 | H52-T54 VanDerWaalsContact C-N 3.25Š|
| 55 | T | 52.1 | Low | 49.5 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -18 | -177.9 | 21.7 | 0 | 0 | 0 | 0 | 114.4 | H52 L53 T58 | H52-T55 PolarHBondContact O-OG1 3.49Å; L53-T55 VanDerWaalsContact C-N 3.32Å; L53-T55 PolarHBondContact O-N 2.94Å; T55-T58 PolarHBondContact O-OG1 2.75Å |
| 56 | G | 47.6 | Very low | 48.9 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -23.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 57 | L | 50.8 | Low | 48.8 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | trans | -100.4 | 16.9 | 178.7 | -65.7 | 174.9 | 0 | 0 | 0 | 112.4 | L53 W59 | L53-L57 PolarHBondContact O-N 3.44Å; L57-W59 PolarHBondContact O-N 3.37Å; L57-W59 PolarHBondContact O-NE1 2.85Å | ||
| 58 | T | 47.4 | Very low | 48.3 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -63.4 | 73.3 | 157.4 | 34.8 | 0 | 0 | 0 | 0 | 108.5 | T55 R60 | T55-T58 PolarHBondContact O-OG1 2.75Å; T58-R60 PolarHBondContact O-N 3.25Å; T58-R60 VanDerWaalsContact O-N 3.1Å |
| 59 | W | 46.5 | Very low | 48.2 | Very low | 197 Ų | 197 | 125.1 Ų | 125.1 | 75% | 0.746 | 69% | 0.688 | S | S | * | * | 37.8 | 77.8 | 128.2 | -62.1 | 96.5 | 0 | 0 | 0 | 110.7 | L57 L61 | L57-W59 PolarHBondContact O-N 3.37Å; L57-W59 PolarHBondContact O-NE1 2.85Å; W59-L61 HydrophobicContact CB-CB 4.31Å; W59-L61 HydrophobicContact CB-CD1 3.79Å; W59-L61 HydrophobicContact CB-CG 3.79Å; W59-L61 HydrophobicContact CD2-CD1 3.88Å; W59-L61 HydrophobicContact CD2-CG 4.14Å; W59-L61 HydrophobicContact CE3-CD1 3.55Å; W59-L61 HydrophobicContact CE3-CD2 3.72Å; W59-L61 HydrophobicContact CE3-CG 3.51Å; W59-L61 HydrophobicContact CG-CD1 4.02Å; W59-L61 HydrophobicContact CG-CG 4.3Å; W59-L61 HydrophobicContact CZ3-CD1 4.32Å; W59-L61 HydrophobicContact CZ3-CD2 4.15Å; W59-L61 HydrophobicContact CZ3-CG 4.39Å; W59-L61 PolarHBondContact O-N 2.87Å | |||
| 60 | R | 44.5 | Very low | 48 | Very low | 217 Ų | 217 | 123.8 Ų | 123.8 | 82% | 0.819 | 69% | 0.688 | S | S | * | * | trans | -56.4 | 56.3 | 137.5 | -68.3 | -175.7 | -178 | 169.8 | -1.1 | 108.9 | T58 C62 | T58-R60 PolarHBondContact O-N 3.25Å; T58-R60 VanDerWaalsContact O-N 3.1Å; R60-C62 PolarHBondContact O-N 2.66Å | ||
| 61 | L | 51 | Low | 47.8 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | trans | -69.7 | 71.2 | 155.3 | -76.3 | 167.5 | 0 | 0 | 0 | 104.6 | W59 S63 | W59-L61 HydrophobicContact CB-CB 4.31Å; W59-L61 HydrophobicContact CB-CD1 3.79Å; W59-L61 HydrophobicContact CB-CG 3.79Å; W59-L61 HydrophobicContact CD2-CD1 3.88Å; W59-L61 HydrophobicContact CD2-CG 4.14Å; W59-L61 HydrophobicContact CE3-CD1 3.55Å; W59-L61 HydrophobicContact CE3-CD2 3.72Å; W59-L61 HydrophobicContact CE3-CG 3.51Å; W59-L61 HydrophobicContact CG-CD1 4.02Å; W59-L61 HydrophobicContact CG-CG 4.3Å; W59-L61 HydrophobicContact CZ3-CD1 4.32Å; W59-L61 HydrophobicContact CZ3-CD2 4.15Å; W59-L61 HydrophobicContact CZ3-CG 4.39Å; W59-L61 PolarHBondContact O-N 2.87Å; L61-S63 PolarHBondContact O-N 2.66Å | ||
| 62 | C | 46.5 | Very low | 47.4 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 31% | 0.311 | 71% | 0.707 | S | S | . | * | trans | -45.8 | 125.6 | 173.5 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | E2 R60 C64 | E2-C62 HydrophobicContact CB-CB 4.09Å; E2-C62 WeakPolarHBondContact CB-SG 3.07Å; E2-C62 WeakPolarHBondContact OE2-CA 3.34Å; E2-C62 WeakPolarHBondContact OE2-CB 3.42Å; E2-C62 PolarHBondContact OE2-SG 3.37Å; R60-C62 PolarHBondContact O-N 2.66Å; C62-C64 PolarHBondContact O-N 2.78Å | ||
| 63 | S | 44.6 | Very low | 47.2 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | -47.6 | 120.5 | 169.2 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | L61 P65 | L61-S63 PolarHBondContact O-N 2.66Å; S63-P65 VanDerWaalsContact C-CD 3.42Å; S63-P65 WeakPolarHBondContact O-CD 3.08Å | ||
| 64 | C | 46.3 | Very low | 46.8 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -100.9 | 91.1 | 160.4 | -67.7 | 0 | 0 | 0 | 0 | 108.5 | C62 | C62-C64 PolarHBondContact O-N 2.78Š| ||
| 65 | P | 45.6 | Very low | 46.6 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -77.6 | 129.5 | 166 | 30.5 | -30.4 | 0 | 0 | 0 | 110.5 | S63 | S63-P65 VanDerWaalsContact C-CD 3.42Å; S63-P65 WeakPolarHBondContact O-CD 3.08Å | ||
| 66 | S | 42.2 | Very low | 46.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 45.9 | 120.2 | 138.3 | -165.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 67 | V | 42.7 | Very low | 46 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | trans | -137.4 | 119.9 | 136.6 | 174.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 68 | D | 44.3 | Very low | 45.6 | Very low | 226 Ų | 226 | 135 Ų | 135 | 100% | 1.209 | 74% | 0.741 | S | S | * | * | trans | 12.1 | 0 | 172.6 | -71.8 | -95 | 0 | 0 | 0 | 122.1 |
Retrieved 68 of 68 residues in 17.6 ms
(Link to these results)