| 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 | 48.9 | Very low | 47.7 | Very low | 238 Ų | 238 | 167.8 Ų | 167.8 | 100% | 1.172 | 86% | 0.856 | S | S | * | * | 0 | 58.1 | 0 | -62.4 | 170.9 | 174.5 | 0 | 0 | 106.9 | |||||
| 2 | S | 39.3 | Very low | 47.2 | Very low | 107 Ų | 107 | 168 Ų | 168 | 75% | 0.748 | 86% | 0.86 | S | S | * | * | 70.3 | 105 | 63.4 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 3 | Q | 44.7 | Very low | 46.9 | Very low | 195 Ų | 195 | 160.5 Ų | 160.5 | 91% | 0.911 | 84% | 0.839 | S | S | * | * | trans | 80.4 | 131.7 | 161.6 | -49.8 | -172.6 | 48.9 | 0 | 0 | 115.7 | ||||
| 4 | S | 49.4 | Very low | 47 | Very low | 104 Ų | 104 | 157 Ų | 157 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | cis | -165.7 | 129.6 | 1.6 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | L | 45.3 | Very low | 46.8 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -105.3 | 82.9 | 171.4 | -179.8 | 83.5 | 0 | 0 | 0 | 108 | ||||
| 6 | M | 47.7 | Very low | 46.6 | Very low | 162 Ų | 162 | 154.7 Ų | 154.7 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -161.4 | 109.2 | 169.7 | -75.7 | 100.4 | -160.3 | 0 | 0 | 108.8 | ||||
| 7 | D | 44.4 | Very low | 46.6 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | 149.2 | 72.4 | 148.8 | -91.7 | -13.6 | 0 | 0 | 0 | 113.2 | ||||
| 8 | R | 52.9 | Low | 46.5 | Very low | 249 Ų | 249 | 148.7 Ų | 148.7 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -136.4 | 22.6 | 159.2 | -74.6 | -164.3 | 177.5 | -134.3 | -0 | 113.9 | ||||
| 9 | T | 46.9 | Very low | 46.6 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -123.6 | 71.7 | -178 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | M | 54.9 | Low | 46.6 | Very low | 145 Ų | 145 | 146 Ų | 146 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -148.7 | 11.6 | 165.5 | -95.7 | -155 | -177.5 | 0 | 0 | 114.9 | D12 M14 | M10-D12 PolarHBondContact O-N 2.96Å; M10-M14 HydrophobicContact CG-CE 4.49Å; M10-M14 HydrophobicContact SD-CE 3.82Å | ||
| 11 | E | 50.5 | Low | 46.7 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -2.1 | -177.6 | -64.3 | -134.6 | 140 | 0 | 0 | 115.2 | ||
| 12 | D | 41.7 | Very low | 46.6 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 12.5 | -173.3 | -113.4 | -15.5 | 0 | 0 | 0 | 116 | M10 | M10-D12 PolarHBondContact O-N 2.96Š|
| 13 | A | 43.1 | Very low | 47.2 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118.6 | 5.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 14 | M | 48.9 | Very low | 47.5 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 55% | 0.547 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -104.1 | 2.1 | -170.6 | -56.4 | -62.4 | 174 | 0 | 0 | 115.2 | M10 | M10-M14 HydrophobicContact CG-CE 4.49Å; M10-M14 HydrophobicContact SD-CE 3.82Å |
| 15 | D | 43.5 | Very low | 47.5 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -96.2 | 5.7 | -177.2 | -147.6 | 19.7 | 0 | 0 | 0 | 114.7 | ||
| 16 | V | 44 | Very low | 48 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -116.7 | -9.4 | 179.8 | 111.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 17 | V | 46.5 | Very low | 48 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 62% | 0.618 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -101.9 | -1.3 | -177.9 | -65.7 | 0 | 0 | 0 | 0 | 114.9 | L19 | V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.28Å |
| 18 | S | 44.9 | Very low | 48.1 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 5.5 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 19 | L | 48.5 | Very low | 47.9 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 1.7 | -176.4 | -74.9 | 172.1 | 0 | 0 | 0 | 115.4 | V17 | V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.28Å |
| 20 | S | 45.4 | Very low | 48.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -126.6 | -7.4 | -170 | -57.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 21 | S | 49.4 | Very low | 47.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -113.6 | 2.1 | -172.1 | -147.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 22 | E | 46.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -115.2 | 32.9 | 172.1 | -67.7 | -169.7 | 104.3 | 0 | 0 | 112.3 | R43 | E22-R43 IonicContact OE2-NH2 3.29Å; E22-R43 PolarHBondContact OE2-NH2 2.98Å |
| 23 | R | 51 | Low | 48 | Very low | 231 Ų | 231 | 123.1 Ų | 123.1 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -93.1 | 14.6 | -175.9 | -142.3 | 174.3 | -175.8 | 161.7 | -0.4 | 114.4 | ||||
| 24 | S | 51.4 | Low | 48.8 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -106.2 | -11.6 | -168.5 | 50.6 | 0 | 0 | 0 | 0 | 118 | ||
| 25 | D | 49.4 | Very low | 49.7 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -120.7 | 15.8 | -169.9 | -58.8 | -36.7 | 0 | 0 | 0 | 116.9 | ||
| 26 | I | 55.9 | Low | 51.1 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -126.5 | 53.6 | 178.2 | -42.5 | 178.8 | 0 | 0 | 0 | 111.4 | ||
| 27 | V | 48.6 | Very low | 52.9 | Low | 137 Ų | 137 | 131.5 Ų | 131.5 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -148.5 | 85 | 158.4 | 124 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 28 | S | 46.6 | Very low | 54.9 | Low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -172.3 | 125.5 | 162.8 | -85.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | S | 48.9 | Very low | 57 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 81 | 91.5 | 153 | -48.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 30 | T | 50.7 | Low | 59 | Low | 132 Ų | 132 | 127.7 Ų | 127.7 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | 65.9 | 111.8 | 96.9 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 31 | S | 49 | Very low | 61.1 | Low | 134 Ų | 134 | 125.2 Ų | 125.2 | 94% | 0.937 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 28.3 | 92.9 | 153.8 | -62.4 | 0 | 0 | 0 | 0 | 118.2 | ||
| 32 | G | 42.4 | Very low | 63.2 | Low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 162.1 | 105.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I34 | G32-I34 PolarHBondContact O-N 3.41Š|
| 33 | S | 52.7 | Low | 65.4 | Low | 113 Ų | 113 | 121.2 Ų | 121.2 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | trans | 41.2 | 74.5 | 156.8 | -173.5 | 0 | 0 | 0 | 0 | 117.3 | R35 | S33-R35 PolarHBondContact O-N 2.75Š| ||
| 34 | I | 61 | Low | 67.5 | Low | 153 Ų | 153 | 117.7 Ų | 117.7 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -69.8 | 90.8 | 176.9 | -56.2 | 172.7 | 0 | 0 | 0 | 110.4 | G32 K36 | G32-I34 PolarHBondContact O-N 3.41Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 HydrophobicContact CG2-CG 4.36Å; I34-K36 PolarHBondContact O-N 2.9Å | ||
| 35 | R | 66.5 | Low | 69.7 | Low | 230 Ų | 230 | 117.5 Ų | 117.5 | 87% | 0.868 | 66% | 0.655 | S | S | * | * | trans | -65.9 | 95.2 | 157.1 | -67.6 | -167.4 | -66.8 | -146.9 | 0.3 | 106.8 | S33 H37 | S33-R35 PolarHBondContact O-N 2.75Å; R35-H37 PolarHBondContact O-N 3.38Å; R35-H37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | K | 73.3 | Confident | 71.9 | Confident | 142 Ų | 142 | 112.7 Ų | 112.7 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | trans | -48.7 | 120.7 | 179.4 | -64.7 | 173 | -176.4 | 169.7 | 0 | 108.8 | I34 V41 | I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 HydrophobicContact CG2-CG 4.36Å; I34-K36 PolarHBondContact O-N 2.9Å; K36-V41 HydrophobicContact CB-CG2 3.58Å | ||
| 37 | H | 82 | Confident | 73.9 | Confident | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.509 | 63% | 0.626 | S | S | . | * | trans | -50.6 | 130 | -179.2 | -175.4 | -100.5 | 0 | 0 | 0 | 110.1 | R35 V39 L40 V41 | R35-H37 PolarHBondContact O-N 3.38Å; R35-H37 VanDerWaalsContact O-N 3.1Å; H37-V39 WeakPolarHBondContact CE1-CG2 3.37Å; H37-V39 WeakPolarHBondContact ND1-CB 3.35Å; H37-V39 PolarHBondContact ND1-N 3.29Å; H37-V39 PolarHBondContact O-N 2.76Å; H37-V39 VanDerWaalsContact O-N 3.07Å; H37-L40 HydrophobicContact CB-CD1 4.07Å; H37-L40 HydrophobicContact CB-CG 4.12Å; H37-L40 WeakPolarHBondContact O-CB 3.49Å; H37-L40 PolarHBondContact O-N 3.26Å; H37-V41 PolarHBondContact O-N 3.44Å | ||
| 38 | P | 88.5 | Confident | 76.2 | Confident | 100 Ų | 100 | 110 Ų | 110 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.5 | -33.2 | -171.1 | 19.6 | -32.5 | 0 | 0 | 0 | 113 | V41 A42 | P38-V41 PolarHBondContact O-N 2.99Å; P38-A42 WeakPolarHBondContact O-CB 3.35Å; P38-A42 PolarHBondContact O-N 2.76Å |
| 39 | V | 89.6 | Confident | 78.7 | Confident | 79 Ų | 79 | 113.7 Ų | 113.7 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 112 | H37 V41 A42 R43 | H37-V39 WeakPolarHBondContact CE1-CG2 3.37Å; H37-V39 WeakPolarHBondContact ND1-CB 3.35Å; H37-V39 PolarHBondContact ND1-N 3.29Å; H37-V39 PolarHBondContact O-N 2.76Å; H37-V39 VanDerWaalsContact O-N 3.07Å; V39-V41 VanDerWaalsContact C-N 3.32Å; V39-V41 PolarHBondContact O-N 2.75Å; V39-A42 PolarHBondContact O-N 3.44Å; V39-R43 WeakPolarHBondContact O-CB 3.37Å; V39-R43 PolarHBondContact O-N 2.89Å |
| 40 | L | 89.4 | Confident | 81.1 | Confident | 82 Ų | 82 | 112.3 Ų | 112.3 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67 | -37.2 | 177.9 | -63.4 | 178.7 | 0 | 0 | 0 | 111.1 | H37 R44 | H37-L40 HydrophobicContact CB-CD1 4.07Å; H37-L40 HydrophobicContact CB-CG 4.12Å; H37-L40 WeakPolarHBondContact O-CB 3.49Å; H37-L40 PolarHBondContact O-N 3.26Å; L40-R44 WeakPolarHBondContact O-CB 3.23Å; L40-R44 PolarHBondContact O-N 2.95Å |
| 41 | V | 89.8 | Confident | 83.3 | Confident | 51 Ų | 51 | 112.1 Ų | 112.1 | 31% | 0.309 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -46.7 | 174.3 | 179 | 0 | 0 | 0 | 0 | 110.5 | K36 H37 P38 V39 R43 R44 N45 | K36-V41 HydrophobicContact CB-CG2 3.58Å; H37-V41 PolarHBondContact O-N 3.44Å; P38-V41 PolarHBondContact O-N 2.99Å; V39-V41 VanDerWaalsContact C-N 3.32Å; V39-V41 PolarHBondContact O-N 2.75Å; V41-R43 PolarHBondContact O-N 2.65Å; V41-R44 WeakPolarHBondContact O-CB 3.3Å; V41-R44 PolarHBondContact O-N 3.15Å; V41-N45 WeakPolarHBondContact O-CB 3.29Å; V41-N45 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-OD1 2.92Å |
| 42 | A | 93.7 | Very high | 85.7 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P38 V39 R44 N45 A46 | P38-A42 WeakPolarHBondContact O-CB 3.35Å; P38-A42 PolarHBondContact O-N 2.76Å; V39-A42 PolarHBondContact O-N 3.44Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 2.75Å; A42-N45 PolarHBondContact O-N 3.33Å; A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 3.24Å |
| 43 | R | 94.1 | Very high | 88.3 | Confident | 124 Ų | 124 | 112.2 Ų | 112.2 | 47% | 0.468 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 175.8 | -161.2 | -173.6 | -76.4 | -173.5 | -1.5 | 111.2 | E22 V39 V41 R47 | E22-R43 IonicContact OE2-NH2 3.29Å; E22-R43 PolarHBondContact OE2-NH2 2.98Å; V39-R43 WeakPolarHBondContact O-CB 3.37Å; V39-R43 PolarHBondContact O-N 2.89Å; V41-R43 PolarHBondContact O-N 2.65Å; R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 2.76Å |
| 44 | R | 94.1 | Very high | 90.5 | Very high | 158 Ų | 158 | 113.8 Ų | 113.8 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 175.3 | -170.8 | -175.8 | -168.8 | 116.4 | 1.4 | 112.3 | L40 V41 A42 R47 E48 | L40-R44 WeakPolarHBondContact O-CB 3.23Å; L40-R44 PolarHBondContact O-N 2.95Å; V41-R44 WeakPolarHBondContact O-CB 3.3Å; V41-R44 PolarHBondContact O-N 3.15Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 2.75Å; R44-R47 WeakPolarHBondContact O-CB 3.43Å; R44-R47 PolarHBondContact O-N 2.92Å; R44-E48 PolarHBondContact O-N 3.02Å |
| 45 | N | 97.1 | Very high | 92.3 | Very high | 86 Ų | 86 | 109.5 Ų | 109.5 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | -180 | -69.1 | -7.3 | 0 | 0 | 0 | 111.7 | V41 A42 E48 R49 | V41-N45 WeakPolarHBondContact O-CB 3.29Å; V41-N45 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-OD1 2.92Å; A42-N45 PolarHBondContact O-N 3.33Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-R49 WeakPolarHBondContact O-CG 3.32Å; N45-R49 PolarHBondContact O-N 2.76Å |
| 46 | A | 96 | Very high | 93.8 | Very high | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A42 E48 R49 N50 | A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 3.24Å; A46-E48 PolarHBondContact O-N 2.9Å; A46-R49 PolarHBondContact O-N 2.8Å; A46-N50 PolarHBondContact O-N 3.28Å; A46-N50 VanDerWaalsContact O-N 3.1Å |
| 47 | R | 98.1 | Very high | 95 | Very high | 139 Ų | 139 | 99.6 Ų | 99.6 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 174 | -69.9 | -171.1 | -59.5 | -99.9 | 4.8 | 112.2 | R43 R44 R49 N50 R51 | R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 2.76Å; R44-R47 WeakPolarHBondContact O-CB 3.43Å; R44-R47 PolarHBondContact O-N 2.92Å; R47-R49 PolarHBondContact O-N 2.78Å; R47-N50 PolarHBondContact O-N 2.91Å; R47-R51 PolarHBondContact O-N 3.29Å |
| 48 | E | 97.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 179.6 | -179.6 | 56.7 | -166.6 | 0 | 0 | 112.3 | R44 N45 A46 N50 R51 V52 | R44-E48 PolarHBondContact O-N 3.02Å; N45-E48 PolarHBondContact O-N 3.44Å; A46-E48 PolarHBondContact O-N 2.9Å; E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 2.76Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE1-CZ 3.7Å; E48-R51 IonicContact OE1-NE 2.8Å; E48-R51 PolarHBondContact OE1-NE 2.93Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.18Å; E48-R51 IonicContact OE2-CZ 3.87Å; E48-R51 IonicContact OE2-NE 2.69Å; E48-R51 PolarHBondContact OE2-NE 3.13Å; E48-R51 IonicContact OE2-NH2 3.41Å; E48-V52 HydrophobicContact CG-CG2 4.46Å; E48-V52 WeakPolarHBondContact O-CB 3.44Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.07Å; E48-V52 WeakPolarHBondContact OE1-CG2 3.33Å |
| 49 | R | 98.2 | Very high | 96.1 | Very high | 190 Ų | 190 | 93.3 Ų | 93.3 | 72% | 0.717 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 172.9 | -74.5 | 178.2 | 178.4 | 172.7 | -0.3 | 112 | N45 A46 R47 V52 R53 | N45-R49 WeakPolarHBondContact O-CG 3.32Å; N45-R49 PolarHBondContact O-N 2.76Å; A46-R49 PolarHBondContact O-N 2.8Å; R47-R49 PolarHBondContact O-N 2.78Å; R49-V52 PolarHBondContact O-N 3.32Å; R49-R53 WeakPolarHBondContact O-CB 3.45Å; R49-R53 PolarHBondContact O-N 3.17Å |
| 50 | N | 98.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 92.4 Ų | 92.4 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.9 | -74.2 | -23.7 | 0 | 0 | 0 | 111.8 | A46 R47 E48 V52 R53 Q54 | A46-N50 PolarHBondContact O-N 3.28Å; A46-N50 VanDerWaalsContact O-N 3.1Å; R47-N50 PolarHBondContact O-N 2.91Å; E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 2.76Å; N50-V52 PolarHBondContact O-N 3.44Å; N50-R53 WeakPolarHBondContact O-CB 3.36Å; N50-R53 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact OD1-NH1 2.97Å; N50-R53 PolarHBondContact OD1-NH2 3.4Å; N50-Q54 PolarHBondContact O-N 3.12Å |
| 51 | R | 98.5 | Very high | 96.7 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 174.8 | -168.4 | -163.5 | 70.3 | 78.4 | 0.2 | 111.5 | R47 E48 R53 Q54 V55 | R47-R51 PolarHBondContact O-N 3.29Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE1-CZ 3.7Å; E48-R51 IonicContact OE1-NE 2.8Å; E48-R51 PolarHBondContact OE1-NE 2.93Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.18Å; E48-R51 IonicContact OE2-CZ 3.87Å; E48-R51 IonicContact OE2-NE 2.69Å; E48-R51 PolarHBondContact OE2-NE 3.13Å; E48-R51 IonicContact OE2-NH2 3.41Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 3.22Å; R51-Q54 PolarHBondContact O-N 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.17Å; R51-V55 PolarHBondContact O-N 3.39Å; R51-V55 VanDerWaalsContact O-N 3.11Å |
| 52 | V | 98.3 | Very high | 97 | Very high | 50 Ų | 50 | 92.5 Ų | 92.5 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | E48 R49 N50 V55 N56 | E48-V52 HydrophobicContact CG-CG2 4.46Å; E48-V52 WeakPolarHBondContact O-CB 3.44Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.07Å; E48-V52 WeakPolarHBondContact OE1-CG2 3.33Å; R49-V52 PolarHBondContact O-N 3.32Å; N50-V52 PolarHBondContact O-N 3.44Å; V52-V55 PolarHBondContact O-N 2.94Å; V52-N56 WeakPolarHBondContact O-CB 3.35Å; V52-N56 VanDerWaalsContact O-CG 3.26Å; V52-N56 PolarHBondContact O-N 2.87Å; V52-N56 PolarHBondContact O-ND2 2.99Å |
| 53 | R | 98.3 | Very high | 97 | Very high | 152 Ų | 152 | 92 Ų | 92 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.5 | -47.9 | 174.4 | -170 | -171.7 | -59.5 | 151.2 | 4.1 | 111 | R49 N50 R51 V55 N56 M57 | R49-R53 WeakPolarHBondContact O-CB 3.45Å; R49-R53 PolarHBondContact O-N 3.17Å; N50-R53 WeakPolarHBondContact O-CB 3.36Å; N50-R53 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact OD1-NH1 2.97Å; N50-R53 PolarHBondContact OD1-NH2 3.4Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 3.22Å; R53-V55 PolarHBondContact O-N 3.42Å; R53-N56 PolarHBondContact O-N 3.49Å; R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.34Å |
| 54 | Q | 98.1 | Very high | 96.9 | Very high | 147 Ų | 147 | 91.6 Ų | 91.6 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.9 | -46.6 | 176.8 | -70.1 | -179.9 | 30.4 | 0 | 0 | 111.8 | N50 R51 N56 M57 G58 | N50-Q54 PolarHBondContact O-N 3.12Å; R51-Q54 PolarHBondContact O-N 3.28Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.49Å; Q54-M57 PolarHBondContact O-N 3Å; Q54-G58 PolarHBondContact O-N 3.45Å |
| 55 | V | 98.2 | Very high | 96.9 | Very high | 63 Ų | 63 | 90.2 Ų | 90.2 | 38% | 0.382 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | R51 V52 R53 M57 G58 F59 | R51-V55 WeakPolarHBondContact O-CG2 3.17Å; R51-V55 PolarHBondContact O-N 3.39Å; R51-V55 VanDerWaalsContact O-N 3.11Å; V52-V55 PolarHBondContact O-N 2.94Å; R53-V55 PolarHBondContact O-N 3.42Å; V55-M57 VanDerWaalsContact C-N 3.34Å; V55-M57 PolarHBondContact O-N 2.88Å; V55-G58 PolarHBondContact O-N 3.26Å; V55-F59 HydrophobicContact CG1-CD2 4.07Å; V55-F59 HydrophobicContact CG1-CE2 3.91Å; V55-F59 WeakPolarHBondContact O-CD2 3.37Å; V55-F59 PolarHBondContact O-N 2.87Å; V55-F59 VanDerWaalsContact O-N 3.1Å |
| 56 | N | 98.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 86.3 Ų | 86.3 | 31% | 0.31 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67 | -33.7 | 179.6 | -72 | -19.5 | 0 | 0 | 0 | 112.6 | V52 R53 Q54 G58 F59 V60 K77 | V52-N56 WeakPolarHBondContact O-CB 3.35Å; V52-N56 VanDerWaalsContact O-CG 3.26Å; V52-N56 PolarHBondContact O-N 2.87Å; V52-N56 PolarHBondContact O-ND2 2.99Å; R53-N56 PolarHBondContact O-N 3.49Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.49Å; N56-G58 VanDerWaalsContact C-N 3.35Å; N56-F59 WeakPolarHBondContact O-CB 3.47Å; N56-F59 PolarHBondContact O-N 3.17Å; N56-V60 PolarHBondContact O-N 2.95Å; N56-V60 VanDerWaalsContact O-N 3.16Å; N56-K77 WeakPolarHBondContact OD1-CE 3.34Å; N56-K77 PolarHBondContact OD1-NZ 3.1Å |
| 57 | M | 97.8 | Very high | 96.3 | Very high | 106 Ų | 106 | 86 Ų | 86 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 171 | -67.1 | -59.8 | 92.4 | 0 | 0 | 111.2 | R53 Q54 V55 F59 V60 T61 | R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.34Å; Q54-M57 PolarHBondContact O-N 3Å; V55-M57 VanDerWaalsContact C-N 3.34Å; V55-M57 PolarHBondContact O-N 2.88Å; M57-F59 VanDerWaalsContact C-N 3.28Å; M57-F59 PolarHBondContact O-N 3.03Å; M57-V60 HydrophobicContact CE-CG2 4.17Å; M57-V60 WeakPolarHBondContact O-CA 3.34Å; M57-V60 WeakPolarHBondContact O-CB 2.98Å; M57-V60 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-N 2.95Å; M57-T61 PolarHBondContact O-OG1 2.85Å |
| 58 | G | 97.6 | Very high | 95.4 | Very high | 43 Ų | 43 | 84.2 Ų | 84.2 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q54 V55 N56 V60 L62 | Q54-G58 PolarHBondContact O-N 3.45Å; V55-G58 PolarHBondContact O-N 3.26Å; N56-G58 VanDerWaalsContact C-N 3.35Å; G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 3.05Å; G58-L62 WeakPolarHBondContact O-CB 3.37Å; G58-L62 PolarHBondContact O-N 3.48Å |
| 59 | F | 97.2 | Very high | 93.6 | Very high | 35 Ų | 35 | 83.5 Ų | 83.5 | 15% | 0.154 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.1 | -28.1 | 172.5 | -85.8 | -82.7 | 0 | 0 | 0 | 113.5 | V55 N56 M57 R63 K77 T80 L81 | V55-F59 HydrophobicContact CG1-CD2 4.07Å; V55-F59 HydrophobicContact CG1-CE2 3.91Å; V55-F59 WeakPolarHBondContact O-CD2 3.37Å; V55-F59 PolarHBondContact O-N 2.87Å; V55-F59 VanDerWaalsContact O-N 3.1Å; N56-F59 WeakPolarHBondContact O-CB 3.47Å; N56-F59 PolarHBondContact O-N 3.17Å; M57-F59 VanDerWaalsContact C-N 3.28Å; M57-F59 PolarHBondContact O-N 3.03Å; F59-R63 VanDerWaalsContact C-NH1 3.33Å; F59-R63 VanDerWaalsContact O-CG 3.28Å; F59-R63 WeakPolarHBondContact O-CG 3.41Å; F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 PolarHBondContact O-NH1 2.77Å; F59-K77 HydrophobicContact CD1-CB 4.33Å; F59-K77 HydrophobicContact CD1-CG 4.11Å; F59-K77 HydrophobicContact CD2-CG 4.47Å; F59-K77 HydrophobicContact CE1-CB 3.72Å; F59-K77 HydrophobicContact CE1-CG 3.87Å; F59-K77 HydrophobicContact CE2-CD 4.09Å; F59-K77 HydrophobicContact CE2-CG 4.27Å; F59-K77 HydrophobicContact CG-CG 4.41Å; F59-K77 HydrophobicContact CZ-CB 3.95Å; F59-K77 HydrophobicContact CZ-CD 4.09Å; F59-K77 HydrophobicContact CZ-CG 3.96Å; F59-T80 HydrophobicContact CD1-CG2 4.13Å; F59-L81 HydrophobicContact CE1-CD2 4.22Å; F59-L81 HydrophobicContact CE1-CG 4.08Å; F59-L81 HydrophobicContact CZ-CD1 4.49Å; F59-L81 HydrophobicContact CZ-CD2 4.49Å; F59-L81 HydrophobicContact CZ-CG 4.48Å |
| 60 | V | 94.7 | Very high | 91.6 | Very high | 60 Ų | 60 | 78.3 Ų | 78.3 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.9 | -53.9 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | N56 M57 G58 L62 R63 D64 | N56-V60 PolarHBondContact O-N 2.95Å; N56-V60 VanDerWaalsContact O-N 3.16Å; M57-V60 HydrophobicContact CE-CG2 4.17Å; M57-V60 WeakPolarHBondContact O-CA 3.34Å; M57-V60 WeakPolarHBondContact O-CB 2.98Å; M57-V60 PolarHBondContact O-N 2.92Å; G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 3.05Å; V60-L62 PolarHBondContact O-N 3.14Å; V60-R63 WeakPolarHBondContact O-CA 3.32Å; V60-R63 WeakPolarHBondContact O-CB 3.22Å; V60-R63 PolarHBondContact O-N 2.84Å; V60-D64 PolarHBondContact O-N 3.1Å; V60-D64 VanDerWaalsContact O-N 3.15Å |
| 61 | T | 95.8 | Very high | 89.8 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.7 | -42 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | M57 R63 D64 H65 | M57-T61 PolarHBondContact O-N 2.95Å; M57-T61 PolarHBondContact O-OG1 2.85Å; T61-R63 VanDerWaalsContact C-N 3.29Å; T61-R63 PolarHBondContact O-N 3.44Å; T61-D64 PolarHBondContact O-N 2.99Å; T61-H65 PolarHBondContact O-CD2 3.31Å; T61-H65 PolarHBondContact O-N 3.04Å |
| 62 | L | 96.1 | Very high | 88.2 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 176.4 | -177.6 | 57.6 | 0 | 0 | 0 | 112.6 | G58 V60 H65 I66 T80 L81 A84 | G58-L62 WeakPolarHBondContact O-CB 3.37Å; G58-L62 PolarHBondContact O-N 3.48Å; V60-L62 PolarHBondContact O-N 3.14Å; L62-H65 PolarHBondContact O-N 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.33Å; L62-T80 HydrophobicContact CB-CG2 4.23Å; L62-T80 HydrophobicContact CD2-CG2 3.68Å; L62-T80 HydrophobicContact CG-CG2 3.77Å; L62-L81 HydrophobicContact CD2-CD2 4.42Å; L62-A84 HydrophobicContact CD1-CB 3.84Å; L62-A84 HydrophobicContact CD2-CB 4.19Å; L62-A84 HydrophobicContact CG-CB 4.26Å |
| 63 | R | 93.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 85 Ų | 85 | 18% | 0.177 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 176.6 | -72.1 | 175.1 | -161.8 | 107.7 | -5.9 | 111.7 | F59 V60 T61 H65 I66 H68 L75 T80 | F59-R63 VanDerWaalsContact C-NH1 3.33Å; F59-R63 VanDerWaalsContact O-CG 3.28Å; F59-R63 WeakPolarHBondContact O-CG 3.41Å; F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 PolarHBondContact O-NH1 2.77Å; V60-R63 WeakPolarHBondContact O-CA 3.32Å; V60-R63 WeakPolarHBondContact O-CB 3.22Å; V60-R63 PolarHBondContact O-N 2.84Å; T61-R63 VanDerWaalsContact C-N 3.29Å; T61-R63 PolarHBondContact O-N 3.44Å; R63-H65 PolarHBondContact O-N 3.27Å; R63-I66 PolarHBondContact O-N 3.29Å; R63-H68 PolarHBondContact O-CE1 3.23Å; R63-L75 HydrophobicContact CG-CB 4.49Å; R63-L75 PolarHBondContact NE-O 2.68Å; R63-L75 PolarHBondContact NH2-O 2.79Å; R63-L75 VanDerWaalsContact NH2-O 3.1Å; R63-T80 HydrophobicContact CG-CG2 3.78Å; R63-T80 PolarHBondContact NE-OG1 3.1Å |
| 64 | D | 92.9 | Very high | 86.8 | Confident | 116 Ų | 116 | 86.6 Ų | 86.6 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.4 | -26.3 | 179.7 | -60.3 | -24.6 | 0 | 0 | 0 | 112.4 | V60 T61 | V60-D64 PolarHBondContact O-N 3.1Å; V60-D64 VanDerWaalsContact O-N 3.15Å; T61-D64 PolarHBondContact O-N 2.99Å |
| 65 | H | 93.5 | Very high | 86.4 | Confident | 130 Ų | 130 | 79.8 Ų | 79.8 | 60% | 0.602 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.4 | 176.8 | -66.6 | -60.4 | 0 | 0 | 0 | 115 | T61 L62 R63 Y87 | T61-H65 PolarHBondContact O-CD2 3.31Å; T61-H65 PolarHBondContact O-N 3.04Å; L62-H65 PolarHBondContact O-N 3.25Å; R63-H65 PolarHBondContact O-N 3.27Å; H65-Y87 VanDerWaalsContact O-CE1 3.32Å; H65-Y87 WeakPolarHBondContact O-CE1 3.36Å |
| 66 | I | 92.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -86.3 | 123.5 | 176 | -64.8 | 165 | 0 | 0 | 0 | 107.6 | L62 R63 H68 L75 T80 A83 A84 Y108 | L62-I66 WeakPolarHBondContact O-CG1 3.33Å; R63-I66 PolarHBondContact O-N 3.29Å; I66-H68 PolarHBondContact O-CE1 3.41Å; I66-H68 VanDerWaalsContact O-CE1 3.29Å; I66-H68 PolarHBondContact O-N 3.46Å; I66-H68 PolarHBondContact O-ND1 3.09Å; I66-H68 VanDerWaalsContact O-ND1 3.09Å; I66-L75 HydrophobicContact CD1-CD1 4.12Å; I66-L75 HydrophobicContact CG2-CD1 4.47Å; I66-T80 HydrophobicContact CD1-CG2 3.85Å; I66-A83 HydrophobicContact CD1-CB 3.91Å; I66-A83 HydrophobicContact CG2-CB 3.98Å; I66-A84 HydrophobicContact CD1-CB 4.27Å; I66-Y108 HydrophobicContact CG2-CD1 4.44Å; I66-Y108 HydrophobicContact CG2-CD2 4.28Å; I66-Y108 HydrophobicContact CG2-CE1 4.42Å; I66-Y108 HydrophobicContact CG2-CE2 4.25Å; I66-Y108 HydrophobicContact CG2-CG 4.4Å |
| 67 | P | 89.5 | Confident | 86.1 | Confident | 40 Ų | 40 | 81.1 Ų | 81.1 | 26% | 0.26 | 44% | 0.441 | S | S | . | . | trans | -56.9 | 127 | 176.4 | -24 | 33.1 | 0 | 0 | 0 | 110.5 | Y87 M105 Y108 | P67-Y87 HydrophobicContact CG-CD1 4.4Å; P67-Y87 HydrophobicContact CG-CD2 3.85Å; P67-Y87 HydrophobicContact CG-CE1 3.96Å; P67-Y87 HydrophobicContact CG-CE2 3.37Å; P67-Y87 HydrophobicContact CG-CG 4.34Å; P67-Y87 VanDerWaalsContact CG-CZ 3.42Å; P67-M105 HydrophobicContact CB-SD 4.2Å; P67-M105 HydrophobicContact CG-SD 4.3Å; P67-Y108 WeakPolarHBondContact O-CE1 3.47Å; P67-Y108 PolarHBondContact O-OH 3.29Å; P67-Y108 VanDerWaalsContact O-OH 3.1Å | ||
| 68 | H | 78.2 | Confident | 85.9 | Confident | 103 Ų | 103 | 80 Ų | 80 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | trans | -94.4 | 110.4 | -177.5 | -65.1 | 93.9 | 0 | 0 | 0 | 111.8 | R63 I66 G70 Y108 | R63-H68 PolarHBondContact O-CE1 3.23Å; I66-H68 PolarHBondContact O-CE1 3.41Å; I66-H68 VanDerWaalsContact O-CE1 3.29Å; I66-H68 PolarHBondContact O-N 3.46Å; I66-H68 PolarHBondContact O-ND1 3.09Å; I66-H68 VanDerWaalsContact O-ND1 3.09Å; H68-G70 VanDerWaalsContact C-N 3.29Å; H68-G70 PolarHBondContact O-N 3.35Å; H68-Y108 WeakPolarHBondContact CA-OH 3.46Å | ||
| 69 | H | 59.4 | Low | 85.6 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 33% | 0.333 | 43% | 0.431 | S | S | . | . | trans | -77.2 | 76 | 169.8 | -51.1 | -41.5 | 0 | 0 | 0 | 110.9 | K71 M105 P106 Y108 | H69-K71 PolarHBondContact O-N 3.42Å; H69-M105 PolarHBondContact CE1-SD 3.4Å; H69-M105 PolarHBondContact NE2-SD 3.04Å; H69-P106 PolarHBondContact NE2-O 2.94Å; H69-Y108 HydrophobicContact CB-CE1 4.38Å; H69-Y108 AromaticContact CD2-CD1 3.52Å; H69-Y108 AromaticContact CD2-CE1 2.98Å; H69-Y108 WeakPolarHBondContact CD2-CE1 3.21Å; H69-Y108 AromaticContact CD2-CZ 3.77Å; H69-Y108 AromaticContact CE1-CE1 3.86Å; H69-Y108 AromaticContact CG-CE1 3.61Å; H69-Y108 PolarHBondContact N-OH 3.03Å; H69-Y108 AromaticContact NE2-CD1 3.4Å; H69-Y108 WeakPolarHBondContact NE2-CD1 3.43Å; H69-Y108 AromaticContact NE2-CE1 3.17Å; H69-Y108 WeakPolarHBondContact NE2-CE1 3.42Å | ||
| 70 | G | 56.4 | Low | 85.4 | Confident | 81 Ų | 81 | 79 Ų | 79 | 84% | 0.835 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 63.8 | 12.3 | 157 | 0 | 0 | 0 | 0 | 0 | 117.8 | H68 | H68-G70 VanDerWaalsContact C-N 3.29Å; H68-G70 PolarHBondContact O-N 3.35Å |
| 71 | K | 60.5 | Low | 85.5 | Confident | 136 Ų | 136 | 80.8 Ų | 80.8 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | trans | -125.5 | 114.2 | 176.6 | -63.6 | 178.2 | -174.6 | 176 | 0 | 108.7 | H69 K73 | H69-K71 PolarHBondContact O-N 3.42Å; K71-K73 HydrophobicContact CB-CB 4.44Å; K71-K73 PolarHBondContact O-N 2.94Å | ||
| 72 | S | 66.5 | Low | 85.3 | Confident | 131 Ų | 131 | 82.2 Ų | 82.2 | 92% | 0.916 | 43% | 0.428 | S | S | * | . | trans | -63.4 | 15.2 | 172.4 | 61.5 | 0 | 0 | 0 | 0 | 114 | K74 | S72-K74 PolarHBondContact O-N 3.03Š| ||
| 73 | K | 80 | Confident | 85.1 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 55% | 0.548 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 119.6 | -178.8 | -171.2 | -175.3 | 178.5 | -164.2 | 0 | 109 | K71 L75 E79 | K71-K73 HydrophobicContact CB-CB 4.44Å; K71-K73 PolarHBondContact O-N 2.94Å; K73-L75 PolarHBondContact O-N 2.95Å; K73-E79 IonicContact NZ-OE1 3.21Å |
| 74 | K | 86.6 | Confident | 85.2 | Confident | 186 Ų | 186 | 78 Ų | 78 | 81% | 0.809 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 117.9 | 171.9 | -58.5 | 178.3 | 92.3 | 168.2 | 0 | 109.1 | S72 | S72-K74 PolarHBondContact O-N 3.03Š|
| 75 | L | 90.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 134.6 | 175.7 | -63.8 | 177.7 | 0 | 0 | 0 | 111.2 | R63 I66 K73 E79 T80 A83 Y108 M109 | R63-L75 HydrophobicContact CG-CB 4.49Å; R63-L75 PolarHBondContact NE-O 2.68Å; R63-L75 PolarHBondContact NH2-O 2.79Å; R63-L75 VanDerWaalsContact NH2-O 3.1Å; I66-L75 HydrophobicContact CD1-CD1 4.12Å; I66-L75 HydrophobicContact CG2-CD1 4.47Å; K73-L75 PolarHBondContact O-N 2.95Å; L75-E79 HydrophobicContact CB-CB 4.23Å; L75-E79 HydrophobicContact CD2-CB 4.1Å; L75-T80 VanDerWaalsContact CB-OG1 3.28Å; L75-T80 WeakPolarHBondContact CB-OG1 3.22Å; L75-A83 HydrophobicContact CD1-CB 4.33Å; L75-Y108 HydrophobicContact CD1-CE2 4.37Å; L75-Y108 HydrophobicContact CD2-CE2 4.37Å; L75-M109 HydrophobicContact CD2-CE 3.5Å; L75-M109 VanDerWaalsContact CD2-CE 3.5Å; L75-M109 HydrophobicContact CD2-SD 3.41Å; L75-M109 WeakPolarHBondContact CD2-SD 3.45Å |
| 76 | S | 93.4 | Very high | 85.1 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 164.3 | 167.4 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | V78 E79 T80 | S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 2.99Å; S76-E79 WeakPolarHBondContact CB-OE2 3.37Å; S76-E79 PolarHBondContact N-OE2 3.19Å; S76-E79 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact OG-CB 3.16Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.28Å; S76-E79 PolarHBondContact OG-N 3.18Å; S76-E79 PolarHBondContact OG-OE2 3.03Å; S76-T80 WeakPolarHBondContact O-CB 2.83Å; S76-T80 PolarHBondContact O-N 3.47Å; S76-T80 PolarHBondContact O-OG1 3.29Å |
| 77 | K | 95.2 | Very high | 85.3 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.7 | -43.9 | -179.9 | -69.8 | -174.1 | 174.4 | -174 | 0 | 112.3 | N56 F59 L81 | N56-K77 WeakPolarHBondContact OD1-CE 3.34Å; N56-K77 PolarHBondContact OD1-NZ 3.1Å; F59-K77 HydrophobicContact CD1-CB 4.33Å; F59-K77 HydrophobicContact CD1-CG 4.11Å; F59-K77 HydrophobicContact CD2-CG 4.47Å; F59-K77 HydrophobicContact CE1-CB 3.72Å; F59-K77 HydrophobicContact CE1-CG 3.87Å; F59-K77 HydrophobicContact CE2-CD 4.09Å; F59-K77 HydrophobicContact CE2-CG 4.27Å; F59-K77 HydrophobicContact CG-CG 4.41Å; F59-K77 HydrophobicContact CZ-CB 3.95Å; F59-K77 HydrophobicContact CZ-CD 4.09Å; F59-K77 HydrophobicContact CZ-CG 3.96Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.99Å; K77-L81 VanDerWaalsContact O-N 3.14Å |
| 78 | V | 94.4 | Very high | 85.5 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | -180 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | S76 T80 L81 R82 | S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 2.99Å; V78-T80 PolarHBondContact O-N 3.21Å; V78-L81 PolarHBondContact O-N 2.81Å; V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 2.93Å |
| 79 | E | 91.8 | Very high | 86.2 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.2 | -70.6 | 164.9 | 135.8 | 0 | 0 | 111.4 | K73 L75 S76 L81 R82 A83 | K73-E79 IonicContact NZ-OE1 3.21Å; L75-E79 HydrophobicContact CB-CB 4.23Å; L75-E79 HydrophobicContact CD2-CB 4.1Å; S76-E79 WeakPolarHBondContact CB-OE2 3.37Å; S76-E79 PolarHBondContact N-OE2 3.19Å; S76-E79 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact OG-CB 3.16Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.28Å; S76-E79 PolarHBondContact OG-N 3.18Å; S76-E79 PolarHBondContact OG-OE2 3.03Å; E79-L81 PolarHBondContact O-N 3.07Å; E79-R82 PolarHBondContact O-N 3.23Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.16Å |
| 80 | T | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 176 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | F59 L62 R63 I66 L75 S76 V78 A83 A84 | F59-T80 HydrophobicContact CD1-CG2 4.13Å; L62-T80 HydrophobicContact CB-CG2 4.23Å; L62-T80 HydrophobicContact CD2-CG2 3.68Å; L62-T80 HydrophobicContact CG-CG2 3.77Å; R63-T80 HydrophobicContact CG-CG2 3.78Å; R63-T80 PolarHBondContact NE-OG1 3.1Å; I66-T80 HydrophobicContact CD1-CG2 3.85Å; L75-T80 VanDerWaalsContact CB-OG1 3.28Å; L75-T80 WeakPolarHBondContact CB-OG1 3.22Å; S76-T80 WeakPolarHBondContact O-CB 2.83Å; S76-T80 PolarHBondContact O-N 3.47Å; S76-T80 PolarHBondContact O-OG1 3.29Å; V78-T80 PolarHBondContact O-N 3.21Å; T80-A83 PolarHBondContact O-N 3.31Å; T80-A84 WeakPolarHBondContact O-CB 3.28Å; T80-A84 PolarHBondContact O-N 3.31Å |
| 81 | L | 96.1 | Very high | 89.4 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.9 | -67.7 | 173.5 | 0 | 0 | 0 | 112.1 | F59 L62 K77 V78 E79 A84 A85 | F59-L81 HydrophobicContact CE1-CD2 4.22Å; F59-L81 HydrophobicContact CE1-CG 4.08Å; F59-L81 HydrophobicContact CZ-CD1 4.49Å; F59-L81 HydrophobicContact CZ-CD2 4.49Å; F59-L81 HydrophobicContact CZ-CG 4.48Å; L62-L81 HydrophobicContact CD2-CD2 4.42Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.99Å; K77-L81 VanDerWaalsContact O-N 3.14Å; V78-L81 PolarHBondContact O-N 2.81Å; E79-L81 PolarHBondContact O-N 3.07Å; L81-A84 PolarHBondContact O-N 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.35Å |
| 82 | R | 92.5 | Very high | 91 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 177.8 | -71.4 | -179.3 | -173.4 | -178.2 | 6.4 | 111.7 | V78 E79 A85 S86 L111 | V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 2.93Å; E79-R82 PolarHBondContact O-N 3.23Å; R82-A85 PolarHBondContact O-N 3.03Å; R82-S86 WeakPolarHBondContact O-CB 3.48Å; R82-S86 PolarHBondContact O-N 3.43Å; R82-L111 HydrophobicContact CB-CD1 3.87Å; R82-L111 PolarHBondContact NH1-O 2.92Å |
| 83 | A | 92 | Very high | 92.1 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I66 L75 E79 T80 S86 Y87 Y108 | I66-A83 HydrophobicContact CD1-CB 3.91Å; I66-A83 HydrophobicContact CG2-CB 3.98Å; L75-A83 HydrophobicContact CD1-CB 4.33Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.16Å; T80-A83 PolarHBondContact O-N 3.31Å; A83-S86 PolarHBondContact O-N 3.15Å; A83-Y87 WeakPolarHBondContact O-CB 3.45Å; A83-Y87 PolarHBondContact O-N 2.91Å; A83-Y108 HydrophobicContact CB-CD2 3.7Å; A83-Y108 HydrophobicContact CB-CG 3.88Å |
| 84 | A | 94.7 | Very high | 92.5 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 I66 T80 L81 S86 Y87 I88 | L62-A84 HydrophobicContact CD1-CB 3.84Å; L62-A84 HydrophobicContact CD2-CB 4.19Å; L62-A84 HydrophobicContact CG-CB 4.26Å; I66-A84 HydrophobicContact CD1-CB 4.27Å; T80-A84 WeakPolarHBondContact O-CB 3.28Å; T80-A84 PolarHBondContact O-N 3.31Å; L81-A84 PolarHBondContact O-N 3.27Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 3.36Å; A84-Y87 PolarHBondContact O-N 3.14Å; A84-Y87 VanDerWaalsContact O-N 3.17Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.13Å |
| 85 | A | 94.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L81 R82 Y87 R89 | L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.35Å; R82-A85 PolarHBondContact O-N 3.03Å; A85-Y87 VanDerWaalsContact C-N 3.35Å; A85-R89 WeakPolarHBondContact O-CG 3.44Å; A85-R89 PolarHBondContact O-N 3.2Å |
| 86 | S | 91.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 175.4 | -166.3 | 0 | 0 | 0 | 0 | 112.4 | R82 A83 A84 Y90 | R82-S86 WeakPolarHBondContact O-CB 3.48Å; R82-S86 PolarHBondContact O-N 3.43Å; A83-S86 PolarHBondContact O-N 3.15Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 3.36Å; S86-Y90 PolarHBondContact O-N 3.34Å; S86-Y90 VanDerWaalsContact O-N 3.07Å |
| 87 | Y | 94.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.7 | -175.7 | -134.1 | 0 | 0 | 0 | 111.7 | H65 P67 A83 A84 A85 R89 Y90 L91 M105 | H65-Y87 VanDerWaalsContact O-CE1 3.32Å; H65-Y87 WeakPolarHBondContact O-CE1 3.36Å; P67-Y87 HydrophobicContact CG-CD1 4.4Å; P67-Y87 HydrophobicContact CG-CD2 3.85Å; P67-Y87 HydrophobicContact CG-CE1 3.96Å; P67-Y87 HydrophobicContact CG-CE2 3.37Å; P67-Y87 HydrophobicContact CG-CG 4.34Å; P67-Y87 VanDerWaalsContact CG-CZ 3.42Å; A83-Y87 WeakPolarHBondContact O-CB 3.45Å; A83-Y87 PolarHBondContact O-N 2.91Å; A84-Y87 PolarHBondContact O-N 3.14Å; A84-Y87 VanDerWaalsContact O-N 3.17Å; A85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-R89 PolarHBondContact O-N 2.98Å; Y87-Y90 HydrophobicContact CD2-CD1 4Å; Y87-Y90 HydrophobicContact CE2-CD1 4.03Å; Y87-Y90 HydrophobicContact CE2-CE1 4.43Å; Y87-Y90 WeakPolarHBondContact O-CB 3.32Å; Y87-Y90 PolarHBondContact O-N 2.97Å; Y87-L91 HydrophobicContact CD1-CD1 4.14Å; Y87-L91 HydrophobicContact CD2-CD1 4.45Å; Y87-L91 HydrophobicContact CD2-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.77Å; Y87-L91 HydrophobicContact CE1-CG 4.42Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.83Å; Y87-L91 HydrophobicContact CG-CD1 4.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.03Å; Y87-M105 HydrophobicContact CD2-CE 4.08Å |
| 88 | I | 94.9 | Very high | 90.9 | Very high | 94 Ų | 94 | 67 Ų | 67 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56 | -50.8 | 174 | -68.4 | 165.9 | 0 | 0 | 0 | 110.6 | A84 Y90 L91 E92 | A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.13Å; I88-Y90 VanDerWaalsContact C-N 3.29Å; I88-Y90 PolarHBondContact O-N 3.46Å; I88-L91 PolarHBondContact O-N 2.69Å; I88-L91 VanDerWaalsContact O-N 3.13Å; I88-E92 HydrophobicContact CG2-CG 4.41Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.8Å |
| 89 | R | 92.6 | Very high | 89.5 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 178 | -68.9 | -172.9 | -58.4 | -119.8 | 1.4 | 113.3 | A85 Y87 E92 Q93 | A85-R89 WeakPolarHBondContact O-CG 3.44Å; A85-R89 PolarHBondContact O-N 3.2Å; Y87-R89 PolarHBondContact O-N 2.98Å; R89-E92 PolarHBondContact O-N 3.03Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.48Å; R89-Q93 PolarHBondContact O-N 3.29Å |
| 90 | Y | 91.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 14% | 0.137 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.7 | 166.4 | -99.8 | 0 | 0 | 0 | 111.4 | S86 Y87 I88 Q93 L94 L103 M105 P106 | S86-Y90 PolarHBondContact O-N 3.34Å; S86-Y90 VanDerWaalsContact O-N 3.07Å; Y87-Y90 HydrophobicContact CD2-CD1 4Å; Y87-Y90 HydrophobicContact CE2-CD1 4.03Å; Y87-Y90 HydrophobicContact CE2-CE1 4.43Å; Y87-Y90 WeakPolarHBondContact O-CB 3.32Å; Y87-Y90 PolarHBondContact O-N 2.97Å; I88-Y90 VanDerWaalsContact C-N 3.29Å; I88-Y90 PolarHBondContact O-N 3.46Å; Y90-Q93 PolarHBondContact O-N 2.9Å; Y90-L94 HydrophobicContact CE1-CD2 4.27Å; Y90-L94 WeakPolarHBondContact O-CB 3.4Å; Y90-L94 PolarHBondContact O-N 3.36Å; Y90-L103 HydrophobicContact CD2-CB 4.49Å; Y90-L103 HydrophobicContact CE2-CB 3.73Å; Y90-L103 PolarHBondContact OH-O 2.95Å; Y90-M105 HydrophobicContact CD1-CG 4.25Å; Y90-M105 HydrophobicContact CE1-CG 3.97Å; Y90-P106 HydrophobicContact CD2-CG 4.26Å; Y90-P106 HydrophobicContact CG-CG 4.25Å |
| 91 | L | 92.1 | Very high | 86.3 | Confident | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -42 | 176.3 | -66 | 176.8 | 0 | 0 | 0 | 111.5 | Y87 I88 Q93 L94 L95 | Y87-L91 HydrophobicContact CD1-CD1 4.14Å; Y87-L91 HydrophobicContact CD2-CD1 4.45Å; Y87-L91 HydrophobicContact CD2-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.77Å; Y87-L91 HydrophobicContact CE1-CG 4.42Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.83Å; Y87-L91 HydrophobicContact CG-CD1 4.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.03Å; I88-L91 PolarHBondContact O-N 2.69Å; I88-L91 VanDerWaalsContact O-N 3.13Å; L91-Q93 PolarHBondContact O-N 3.23Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-L95 WeakPolarHBondContact O-CB 3.41Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.48Å |
| 92 | E | 92.9 | Very high | 84.7 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 175.1 | -70.8 | 170.3 | 161.3 | 0 | 0 | 112.1 | I88 R89 S96 | I88-E92 HydrophobicContact CG2-CG 4.41Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.8Å; R89-E92 PolarHBondContact O-N 3.03Å; E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 2.91Å; E92-S96 PolarHBondContact O-OG 3.2Å |
| 93 | Q | 89.6 | Confident | 83.6 | Confident | 117 Ų | 117 | 75.9 Ų | 75.9 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176.5 | -72.2 | 172 | 12 | 0 | 0 | 111.9 | R89 Y90 L91 S96 A97 L103 | R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.48Å; R89-Q93 PolarHBondContact O-N 3.29Å; Y90-Q93 PolarHBondContact O-N 2.9Å; L91-Q93 PolarHBondContact O-N 3.23Å; Q93-S96 PolarHBondContact O-N 3.46Å; Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.9Å; Q93-L103 HydrophobicContact CB-CD1 4Å |
| 94 | L | 89.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 32% | 0.319 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.6 | -174.2 | 64.1 | 0 | 0 | 0 | 111.6 | Y90 L91 S96 A97 L103 | Y90-L94 HydrophobicContact CE1-CD2 4.27Å; Y90-L94 WeakPolarHBondContact O-CB 3.4Å; Y90-L94 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.47Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-A97 PolarHBondContact O-N 3.18Å; L94-L103 HydrophobicContact CB-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CB 4.45Å; L94-L103 HydrophobicContact CD1-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CG 4.47Å |
| 95 | L | 91 | Very high | 81.7 | Confident | 148 Ų | 148 | 86.1 Ų | 86.1 | 78% | 0.775 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -35.3 | 176 | -68.7 | 172.1 | 0 | 0 | 0 | 112.2 | L91 | L91-L95 WeakPolarHBondContact O-CB 3.41Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.48Å |
| 96 | S | 89.5 | Confident | 80.6 | Confident | 104 Ų | 104 | 86.2 Ų | 86.2 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.9 | -27.5 | 178 | -57.5 | 0 | 0 | 0 | 0 | 113 | E92 Q93 L94 G98 | E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 2.91Å; E92-S96 PolarHBondContact O-OG 3.2Å; Q93-S96 PolarHBondContact O-N 3.46Å; L94-S96 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 2.91Å |
| 97 | A | 82.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 90.1 Ų | 90.1 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q93 L94 D99 A100 | Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.9Å; L94-A97 PolarHBondContact O-N 3.18Å; A97-D99 PolarHBondContact O-N 3.37Å; A97-A100 HydrophobicContact CB-CB 3.84Å; A97-A100 PolarHBondContact O-N 3.47Å |
| 98 | G | 69.2 | Low | 78.5 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 69% | 0.691 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | -37.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117 | S96 | S96-G98 PolarHBondContact O-N 2.91Š|
| 99 | D | 64.8 | Low | 77 | Confident | 162 Ų | 162 | 85.5 Ų | 85.5 | 87% | 0.866 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -170 | 14.2 | 177 | -125 | -16.8 | 0 | 0 | 0 | 113.1 | A97 G101 | A97-D99 PolarHBondContact O-N 3.37Å; D99-G101 PolarHBondContact O-N 3.11Å |
| 100 | A | 56.9 | Low | 75.5 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | trans | -79.1 | 81.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A97 Q102 | A97-A100 HydrophobicContact CB-CB 3.84Å; A97-A100 PolarHBondContact O-N 3.47Å; A100-Q102 PolarHBondContact O-N 3.31Å | ||
| 101 | G | 59.9 | Low | 74 | Confident | 78 Ų | 78 | 87.2 Ų | 87.2 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 33.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D99 | D99-G101 PolarHBondContact O-N 3.11Š|
| 102 | Q | 62 | Low | 72.1 | Confident | 180 Ų | 180 | 91.6 Ų | 91.6 | 84% | 0.841 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | 9.3 | -177.3 | -75.8 | -174.5 | 12.1 | 0 | 0 | 115.2 | A100 Q104 | A100-Q102 PolarHBondContact O-N 3.31Å; Q102-Q104 PolarHBondContact O-N 3.2Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 70 | Confident | 70 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 34% | 0.34 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 117.6 | 170.6 | -62 | -175.2 | 0 | 0 | 0 | 109.6 | Y90 Q93 L94 M105 | Y90-L103 HydrophobicContact CD2-CB 4.49Å; Y90-L103 HydrophobicContact CE2-CB 3.73Å; Y90-L103 PolarHBondContact OH-O 2.95Å; Q93-L103 HydrophobicContact CB-CD1 4Å; L94-L103 HydrophobicContact CB-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CB 4.45Å; L94-L103 HydrophobicContact CD1-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CG 4.47Å; L103-M105 PolarHBondContact O-N 3.05Å |
| 104 | Q | 72.3 | Confident | 68 | Low | 182 Ų | 182 | 94.6 Ų | 94.6 | 85% | 0.85 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.3 | 174.3 | -65.3 | -174.5 | 29 | 0 | 0 | 108.9 | Q102 P106 | Q102-Q104 PolarHBondContact O-N 3.2Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-P106 WeakPolarHBondContact O-CD 3.42Å |
| 105 | M | 73.6 | Confident | 66.2 | Low | 47 Ų | 47 | 93.5 Ų | 93.5 | 23% | 0.232 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 123.1 | 178.2 | -151.6 | -93.5 | 107.1 | 0 | 0 | 109.1 | P67 H69 Y87 Y90 L103 N107 Y108 | P67-M105 HydrophobicContact CB-SD 4.2Å; P67-M105 HydrophobicContact CG-SD 4.3Å; H69-M105 PolarHBondContact CE1-SD 3.4Å; H69-M105 PolarHBondContact NE2-SD 3.04Å; Y87-M105 HydrophobicContact CD2-CE 4.08Å; Y90-M105 HydrophobicContact CD1-CG 4.25Å; Y90-M105 HydrophobicContact CE1-CG 3.97Å; L103-M105 PolarHBondContact O-N 3.05Å; M105-N107 PolarHBondContact O-N 3.48Å; M105-Y108 HydrophobicContact CE-CD1 4.34Å; M105-Y108 HydrophobicContact SD-CD1 4.35Å |
| 106 | P | 71 | Confident | 64.2 | Low | 43 Ų | 43 | 91.8 Ų | 91.8 | 28% | 0.279 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61 | 133.1 | -178.1 | 13.8 | -24 | 0 | 0 | 0 | 112.5 | H69 Y90 Q104 Y108 | H69-P106 PolarHBondContact NE2-O 2.94Å; Y90-P106 HydrophobicContact CD2-CG 4.26Å; Y90-P106 HydrophobicContact CG-CG 4.25Å; Q104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-Y108 PolarHBondContact O-N 3.32Å |
| 107 | N | 73.3 | Confident | 62.4 | Low | 93 Ų | 93 | 93.6 Ų | 93.6 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | trans | -68.8 | 93.8 | 174.5 | -175.9 | 11.9 | 0 | 0 | 0 | 110.7 | M105 M109 N110 | M105-N107 PolarHBondContact O-N 3.48Å; N107-M109 PolarHBondContact O-N 3.34Å; N107-M109 VanDerWaalsContact O-N 3.12Å; N107-M109 PolarHBondContact OD1-N 3.44Å; N107-N110 PolarHBondContact O-N 3.3Å | ||
| 108 | Y | 69.3 | Low | 60.9 | Low | 8 Ų | 8 | 97.2 Ų | 97.2 | 3% | 0.031 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -9.8 | -176.2 | 57.4 | -93.4 | 0 | 0 | 0 | 114.1 | I66 P67 H68 H69 L75 A83 M105 P106 | I66-Y108 HydrophobicContact CG2-CD1 4.44Å; I66-Y108 HydrophobicContact CG2-CD2 4.28Å; I66-Y108 HydrophobicContact CG2-CE1 4.42Å; I66-Y108 HydrophobicContact CG2-CE2 4.25Å; I66-Y108 HydrophobicContact CG2-CG 4.4Å; P67-Y108 WeakPolarHBondContact O-CE1 3.47Å; P67-Y108 PolarHBondContact O-OH 3.29Å; P67-Y108 VanDerWaalsContact O-OH 3.1Å; H68-Y108 WeakPolarHBondContact CA-OH 3.46Å; H69-Y108 HydrophobicContact CB-CE1 4.38Å; H69-Y108 AromaticContact CD2-CD1 3.52Å; H69-Y108 AromaticContact CD2-CE1 2.98Å; H69-Y108 WeakPolarHBondContact CD2-CE1 3.21Å; H69-Y108 AromaticContact CD2-CZ 3.77Å; H69-Y108 AromaticContact CE1-CE1 3.86Å; H69-Y108 AromaticContact CG-CE1 3.61Å; H69-Y108 PolarHBondContact N-OH 3.03Å; H69-Y108 AromaticContact NE2-CD1 3.4Å; H69-Y108 WeakPolarHBondContact NE2-CD1 3.43Å; H69-Y108 AromaticContact NE2-CE1 3.17Å; H69-Y108 WeakPolarHBondContact NE2-CE1 3.42Å; L75-Y108 HydrophobicContact CD1-CE2 4.37Å; L75-Y108 HydrophobicContact CD2-CE2 4.37Å; A83-Y108 HydrophobicContact CB-CD2 3.7Å; A83-Y108 HydrophobicContact CB-CG 3.88Å; M105-Y108 HydrophobicContact CE-CD1 4.34Å; M105-Y108 HydrophobicContact SD-CD1 4.35Å; P106-Y108 PolarHBondContact O-N 3.32Å |
| 109 | M | 64.5 | Low | 59.9 | Low | 51 Ų | 51 | 101 Ų | 101 | 25% | 0.251 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -14.1 | 176.1 | -63.7 | -67.2 | -164.9 | 0 | 0 | 113.3 | L75 N107 | L75-M109 HydrophobicContact CD2-CE 3.5Å; L75-M109 VanDerWaalsContact CD2-CE 3.5Å; L75-M109 HydrophobicContact CD2-SD 3.41Å; L75-M109 WeakPolarHBondContact CD2-SD 3.45Å; N107-M109 PolarHBondContact O-N 3.34Å; N107-M109 VanDerWaalsContact O-N 3.12Å; N107-M109 PolarHBondContact OD1-N 3.44Å |
| 110 | N | 60.8 | Low | 59 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | trans | -119.9 | 57.9 | -176.8 | -157 | -47.7 | 0 | 0 | 0 | 110.8 | N107 | N107-N110 PolarHBondContact O-N 3.3Š| ||
| 111 | L | 58.7 | Low | 58.4 | Low | 47 Ų | 47 | 100.3 Ų | 100.3 | 25% | 0.246 | 57% | 0.567 | C | S | . | * | trans | -102.6 | 70.7 | 170.4 | -68.3 | 166.1 | 0 | 0 | 0 | 108.2 | R82 E113 | R82-L111 HydrophobicContact CB-CD1 3.87Å; R82-L111 PolarHBondContact NH1-O 2.92Å; L111-E113 VanDerWaalsContact C-N 3.25Å | ||
| 112 | N | 53.4 | Low | 58.3 | Low | 151 Ų | 151 | 104.9 Ų | 104.9 | 81% | 0.807 | 57% | 0.567 | S | S | * | * | trans | -85.2 | 2.8 | 169.1 | -168.9 | 46.8 | 0 | 0 | 0 | 112.5 | ||||
| 113 | E | 47.9 | Very low | 57.3 | Low | 172 Ų | 172 | 103.2 Ų | 103.2 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -115.5 | 131.6 | -173.8 | -150.7 | 160.7 | 98.1 | 0 | 0 | 111 | L111 A115 | L111-E113 VanDerWaalsContact C-N 3.25Å; E113-A115 PolarHBondContact O-N 3.47Å |
| 114 | S | 47.8 | Very low | 56.4 | Low | 117 Ų | 117 | 104 Ų | 104 | 82% | 0.818 | 57% | 0.568 | S | S | * | * | trans | -46.4 | 72.6 | 170.1 | -41.1 | 0 | 0 | 0 | 0 | 111.7 | S116 | S114-S116 PolarHBondContact O-N 3.19Š| ||
| 115 | A | 53 | Low | 55.2 | Low | 39 Ų | 39 | 103 Ų | 103 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | trans | -67.3 | 92.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | E113 Y117 | E113-A115 PolarHBondContact O-N 3.47Å; A115-Y117 VanDerWaalsContact C-N 3.28Å; A115-Y117 VanDerWaalsContact O-CD1 3.32Å; A115-Y117 WeakPolarHBondContact O-CD1 3.38Å; A115-Y117 VanDerWaalsContact O-CE1 3.29Å; A115-Y117 WeakPolarHBondContact O-CE1 3.48Å; A115-Y117 PolarHBondContact O-N 3.22Å | ||
| 116 | S | 48.8 | Very low | 53.9 | Low | 112 Ų | 112 | 110.2 Ų | 110.2 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | trans | -44 | 93.1 | 173.6 | -164.6 | 0 | 0 | 0 | 0 | 108.4 | S114 P118 | S114-S116 PolarHBondContact O-N 3.19Å; S116-P118 WeakPolarHBondContact O-CD 3.45Å | ||
| 117 | Y | 50.4 | Low | 52.8 | Low | 142 Ų | 142 | 114 Ų | 114 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | trans | -62.9 | 124.8 | 162 | -31.2 | -72.5 | 0 | 0 | 0 | 103.1 | A115 L119 | A115-Y117 VanDerWaalsContact C-N 3.28Å; A115-Y117 VanDerWaalsContact O-CD1 3.32Å; A115-Y117 WeakPolarHBondContact O-CD1 3.38Å; A115-Y117 VanDerWaalsContact O-CE1 3.29Å; A115-Y117 WeakPolarHBondContact O-CE1 3.48Å; A115-Y117 PolarHBondContact O-N 3.22Å; Y117-L119 PolarHBondContact O-N 3.1Å | ||
| 118 | P | 52.4 | Low | 51.8 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 78% | 0.779 | 62% | 0.615 | S | S | * | * | trans | -61.1 | 89.9 | 164.1 | 24.5 | -29.3 | 0 | 0 | 0 | 105.8 | S116 T120 | S116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-T120 PolarHBondContact O-N 3.47Å | ||
| 119 | L | 46.6 | Very low | 51 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | trans | -67 | 97.9 | 167.1 | -147.6 | 90.5 | 0 | 0 | 0 | 102.1 | Y117 S121 | Y117-L119 PolarHBondContact O-N 3.1Å; L119-S121 PolarHBondContact O-N 3.33Å | ||
| 120 | T | 46.3 | Very low | 50 | Low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | trans | -54.2 | 101.6 | 163.5 | -55.5 | 0 | 0 | 0 | 0 | 104.8 | P118 H122 | P118-T120 PolarHBondContact O-N 3.47Å; T120-H122 PolarHBondContact O-N 3.25Å | ||
| 121 | S | 45.1 | Very low | 49.3 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 54% | 0.538 | 67% | 0.67 | S | S | . | * | trans | -67.8 | 81.3 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 106 | L119 Q123 | L119-S121 PolarHBondContact O-N 3.33Å; S121-Q123 PolarHBondContact O-N 3.24Å; S121-Q123 PolarHBondContact OG-NE2 3.34Å | ||
| 122 | H | 57.8 | Low | 48.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 80% | 0.801 | 70% | 0.701 | S | S | * | * | trans | -67.9 | 90 | 144.9 | -88 | -7.1 | 0 | 0 | 0 | 105.4 | T120 P124 | T120-H122 PolarHBondContact O-N 3.25Å; H122-P124 WeakPolarHBondContact O-CD 3.34Å; H122-P124 VanDerWaalsContact O-N 3.1Å | ||
| 123 | Q | 40.8 | Very low | 47.8 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -39.2 | 116.1 | 152.5 | -75.3 | -71.8 | -53.2 | 0 | 0 | 106.5 | S121 F125 | S121-Q123 PolarHBondContact O-N 3.24Å; S121-Q123 PolarHBondContact OG-NE2 3.34Å; Q123-F125 VanDerWaalsContact C-N 3.33Å; Q123-F125 PolarHBondContact O-N 2.89Å | ||
| 124 | P | 51.1 | Low | 48.3 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 52% | 0.519 | 70% | 0.699 | S | S | . | * | trans | -59.7 | 110.5 | 164.3 | 25 | -29.5 | 0 | 0 | 0 | 104.9 | H122 Y126 | H122-P124 WeakPolarHBondContact O-CD 3.34Å; H122-P124 VanDerWaalsContact O-N 3.1Å; P124-Y126 HydrophobicContact CB-CD2 3.98Å; P124-Y126 HydrophobicContact CB-CE2 3.59Å; P124-Y126 HydrophobicContact CG-CD2 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.48Å; P124-Y126 VanDerWaalsContact CG-CE2 3.48Å; P124-Y126 WeakPolarHBondContact O-CD2 3.39Å; P124-Y126 PolarHBondContact O-N 3.45Å | ||
| 125 | F | 47 | Very low | 48.3 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | -68.1 | 82.5 | 171.7 | -178.2 | -112.5 | 0 | 0 | 0 | 106.8 | Q123 Q127 | Q123-F125 VanDerWaalsContact C-N 3.33Å; Q123-F125 PolarHBondContact O-N 2.89Å; F125-Q127 HydrophobicContact CD1-CB 3.88Å; F125-Q127 HydrophobicContact CD1-CG 4.49Å; F125-Q127 HydrophobicContact CE1-CB 3.43Å; F125-Q127 VanDerWaalsContact CE1-CB 3.43Å; F125-Q127 HydrophobicContact CE1-CG 3.58Å; F125-Q127 HydrophobicContact CE2-CG 4.44Å; F125-Q127 HydrophobicContact CZ-CB 3.79Å; F125-Q127 VanDerWaalsContact CZ-CD 3.47Å; F125-Q127 HydrophobicContact CZ-CG 3.52Å; F125-Q127 PolarHBondContact O-N 3.1Å | ||
| 126 | Y | 46.4 | Very low | 48.4 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | -71.1 | 87.7 | 158.8 | -65.9 | -72.5 | 0 | 0 | 0 | 105.4 | P124 Q128 | P124-Y126 HydrophobicContact CB-CD2 3.98Å; P124-Y126 HydrophobicContact CB-CE2 3.59Å; P124-Y126 HydrophobicContact CG-CD2 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.48Å; P124-Y126 VanDerWaalsContact CG-CE2 3.48Å; P124-Y126 WeakPolarHBondContact O-CD2 3.39Å; P124-Y126 PolarHBondContact O-N 3.45Å; Y126-Q128 VanDerWaalsContact C-N 3.34Å; Y126-Q128 PolarHBondContact O-N 2.98Å | ||
| 127 | Q | 47.8 | Very low | 47.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | trans | -63.4 | 106.2 | 165.1 | -154.9 | 165.7 | 4.7 | 0 | 0 | 106.3 | F125 Q129 | F125-Q127 HydrophobicContact CD1-CB 3.88Å; F125-Q127 HydrophobicContact CD1-CG 4.49Å; F125-Q127 HydrophobicContact CE1-CB 3.43Å; F125-Q127 VanDerWaalsContact CE1-CB 3.43Å; F125-Q127 HydrophobicContact CE1-CG 3.58Å; F125-Q127 HydrophobicContact CE2-CG 4.44Å; F125-Q127 HydrophobicContact CZ-CB 3.79Å; F125-Q127 VanDerWaalsContact CZ-CD 3.47Å; F125-Q127 HydrophobicContact CZ-CG 3.52Å; F125-Q127 PolarHBondContact O-N 3.1Å; Q127-Q129 HydrophobicContact CB-CG 4.33Å; Q127-Q129 HydrophobicContact CG-CG 4.23Å; Q127-Q129 PolarHBondContact O-N 2.86Å | ||
| 128 | Q | 52.5 | Low | 47.8 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -66.6 | 78.3 | 172.9 | -171.2 | 172.4 | 24.6 | 0 | 0 | 107.9 | Y126 N130 | Y126-Q128 VanDerWaalsContact C-N 3.34Å; Y126-Q128 PolarHBondContact O-N 2.98Å; Q128-N130 PolarHBondContact O-N 3.4Å | ||
| 129 | Q | 51 | Low | 47.5 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | trans | -78.4 | 104 | 166.4 | -53.9 | -168.7 | 54 | 0 | 0 | 105.4 | Q127 G131 | Q127-Q129 HydrophobicContact CB-CG 4.33Å; Q127-Q129 HydrophobicContact CG-CG 4.23Å; Q127-Q129 PolarHBondContact O-N 2.86Å; Q129-G131 PolarHBondContact O-N 3.23Å | ||
| 130 | N | 45.1 | Very low | 47.8 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | -58.2 | 89.6 | 167.6 | -74.6 | -44.4 | 0 | 0 | 0 | 108.5 | Q128 | Q128-N130 PolarHBondContact O-N 3.4Š| ||
| 131 | G | 46.2 | Very low | 47.6 | Very low | 48 Ų | 48 | 133.6 Ų | 133.6 | 50% | 0.495 | 70% | 0.704 | S | S | . | * | trans | -139.9 | 119.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q129 C133 | Q129-G131 PolarHBondContact O-N 3.23Å; G131-C133 PolarHBondContact O-N 3.19Å | ||
| 132 | Q | 42 | Very low | 48.4 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | trans | -49.7 | 103.7 | 173.3 | -93.4 | 89 | 10.1 | 0 | 0 | 110.1 | ||||
| 133 | C | 37.6 | Very low | 48.2 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | trans | -90.5 | 132.4 | 160.8 | -70.6 | 0 | 0 | 0 | 0 | 107.7 | G131 T135 | G131-C133 PolarHBondContact O-N 3.19Å; C133-T135 PolarHBondContact O-N 3.47Å | ||
| 134 | P | 58.3 | Low | 48.8 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -59.6 | 117.4 | 173.4 | 23.6 | -30.2 | 0 | 0 | 0 | 108.7 | V136 | P134-V136 PolarHBondContact O-N 3.46Š| ||
| 135 | T | 49.1 | Very low | 48.7 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -61.6 | 100.3 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | C133 G137 | C133-T135 PolarHBondContact O-N 3.47Å; T135-G137 PolarHBondContact O-N 3.19Å | ||
| 136 | V | 54.3 | Low | 48.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -75.5 | 81.1 | 154.4 | -76.1 | 0 | 0 | 0 | 0 | 106 | P134 F138 | P134-V136 PolarHBondContact O-N 3.46Å; V136-F138 PolarHBondContact O-N 3.41Å | ||
| 137 | G | 38.7 | Very low | 48.3 | Very low | 56 Ų | 56 | 144.4 Ų | 144.4 | 58% | 0.577 | 75% | 0.75 | S | S | * | * | trans | -62.9 | 99.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | T135 H139 | T135-G137 PolarHBondContact O-N 3.19Å; G137-H139 PolarHBondContact O-N 2.95Å | ||
| 138 | F | 48.1 | Very low | 48.2 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 82.8 | 155.8 | -71.4 | -82.4 | 0 | 0 | 0 | 107 | V136 F140 | V136-F138 PolarHBondContact O-N 3.41Å; F138-F140 VanDerWaalsContact C-N 3.35Å; F138-F140 HydrophobicContact CB-CD2 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 PolarHBondContact O-N 2.89Å | ||
| 139 | H | 46.6 | Very low | 47.7 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 94.4 | 171.1 | -149.8 | 87.2 | 0 | 0 | 0 | 107.3 | G137 G141 | G137-H139 PolarHBondContact O-N 2.95Å; H139-G141 PolarHBondContact O-N 2.9Å | ||
| 140 | F | 51.8 | Low | 47.6 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -72.5 | 84.6 | 162.4 | -84 | -89.8 | 0 | 0 | 0 | 107.4 | F138 | F138-F140 VanDerWaalsContact C-N 3.35Å; F138-F140 HydrophobicContact CB-CD2 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 PolarHBondContact O-N 2.89Å | ||
| 141 | G | 42.5 | Very low | 47.3 | Very low | 30 Ų | 30 | 146.3 Ų | 146.3 | 31% | 0.309 | 75% | 0.754 | S | S | . | * | trans | -69.6 | 145.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | H139 H143 | H139-G141 PolarHBondContact O-N 2.9Å; G141-H143 PolarHBondContact O-N 3.34Å; G141-H143 VanDerWaalsContact O-N 3.13Å | ||
| 142 | P | 61.7 | Low | 47.1 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 110.4 | 172.5 | 29.7 | -30.2 | 0 | 0 | 0 | 108 | Q144 | P142-Q144 PolarHBondContact O-N 3.48Š| ||
| 143 | H | 54 | Low | 47 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -69.5 | 102.8 | 170.4 | -78.9 | -78.6 | 0 | 0 | 0 | 108.9 | G141 Q145 | G141-H143 PolarHBondContact O-N 3.34Å; G141-H143 VanDerWaalsContact O-N 3.13Å; H143-Q145 PolarHBondContact O-N 3.49Å | ||
| 144 | Q | 52.9 | Low | 46.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 119.7 | 165.4 | -74.1 | -162 | -11 | 0 | 0 | 109.4 | P142 Q146 | P142-Q144 PolarHBondContact O-N 3.48Å; Q144-Q146 PolarHBondContact O-N 3.07Å | ||
| 145 | Q | 49.1 | Very low | 46.4 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -83.6 | 93.4 | 179.5 | -169.6 | 165.2 | 4.5 | 0 | 0 | 109.9 | H143 R147 | H143-Q145 PolarHBondContact O-N 3.49Å; Q145-R147 PolarHBondContact O-N 3.35Å | ||
| 146 | Q | 44.6 | Very low | 46.1 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -80.3 | 103.3 | 169.5 | -164.1 | 172.3 | 7.6 | 0 | 0 | 109.2 | Q144 Q148 | Q144-Q146 PolarHBondContact O-N 3.07Å; Q146-Q148 HydrophobicContact CG-CG 4.39Å; Q146-Q148 PolarHBondContact O-N 3.15Å; Q146-Q148 VanDerWaalsContact O-N 3.07Å | ||
| 147 | R | 40.4 | Very low | 45.8 | Very low | 219 Ų | 219 | 150.2 Ų | 150.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 96.9 | 167.9 | -87 | -103 | -75.3 | -171.3 | -5 | 109.1 | Q145 | Q145-R147 PolarHBondContact O-N 3.35Š| ||
| 148 | Q | 45.1 | Very low | 46.2 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 57% | 0.565 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 119.8 | 159.1 | -73.8 | -176 | 20.3 | 0 | 0 | 109.2 | Q146 H150 | Q146-Q148 HydrophobicContact CG-CG 4.39Å; Q146-Q148 PolarHBondContact O-N 3.15Å; Q146-Q148 VanDerWaalsContact O-N 3.07Å; Q148-H150 PolarHBondContact O-N 3.19Å; Q148-H150 PolarHBondContact OE1-CE1 3.35Å | ||
| 149 | Q | 43.2 | Very low | 45.9 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -69.1 | 110.1 | 171 | -58 | 175.3 | 24.6 | 0 | 0 | 107.8 | ||||
| 150 | H | 47.6 | Very low | 45.6 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -126.2 | 106.3 | 166.1 | -77.2 | 93.8 | 0 | 0 | 0 | 108.7 | Q148 | Q148-H150 PolarHBondContact O-N 3.19Å; Q148-H150 PolarHBondContact OE1-CE1 3.35Å | ||
| 151 | Q | 38.9 | Very low | 44.8 | Very low | 202 Ų | 202 | 145 Ų | 145 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | trans | -58.5 | 125.1 | 156.7 | -82.4 | 170.8 | 16.3 | 0 | 0 | 107.9 | ||||
| 152 | V | 43.2 | Very low | 45.3 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -126.9 | 121.3 | 165 | -173 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 153 | G | 39.8 | Very low | 44.1 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 164.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A155 | G153-A155 PolarHBondContact O-N 2.84Š| ||
| 154 | M | 33.8 | Very low | 43.6 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | trans | -66.4 | 120.6 | 179.3 | -55.2 | -67.9 | -179.9 | 0 | 0 | 110.5 | ||||
| 155 | A | 48.2 | Very low | 43 | Very low | 95 Ų | 95 | 149 Ų | 149 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -145.3 | 124.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110 | G153 | G153-A155 PolarHBondContact O-N 2.84Š| ||
| 156 | N | 44.4 | Very low | 42.9 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -47.5 | 126 | -177.3 | -58.6 | -61.7 | 0 | 0 | 0 | 115.1 | ||||
| 157 | D | 47.7 | Very low | 42.5 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -139.7 | 112.5 | 155.8 | -158.1 | -32.9 | 0 | 0 | 0 | 108.6 | G159 | D157-G159 PolarHBondContact O-N 3.11Š| ||
| 158 | P | 47.3 | Very low | 42.7 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -94 | 87.4 | -176.9 | 35.3 | -27.5 | 0 | 0 | 0 | 109.8 | ||||
| 159 | G | 41.6 | Very low | 42.3 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 159.1 | 76.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | D157 | D157-G159 PolarHBondContact O-N 3.11Š| ||
| 160 | G | 39.8 | Very low | 42.2 | Very low | 64 Ų | 64 | 149.1 Ų | 149.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | 168.1 | 106.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.9 | P162 | G160-P162 WeakPolarHBondContact O-CD 3.38Š| ||
| 161 | Y | 35.8 | Very low | 41.7 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -52.9 | 123.5 | 176.9 | -60.9 | -88.9 | 0 | 0 | 0 | 112.9 | ||||
| 162 | P | 51.8 | Low | 41.8 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -105.4 | 100.6 | 171.2 | 33.4 | -22.5 | 0 | 0 | 0 | 110.9 | G160 R164 | G160-P162 WeakPolarHBondContact O-CD 3.38Å; P162-R164 PolarHBondContact O-N 3.35Å | ||
| 163 | C | 37.8 | Very low | 41.4 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -86.8 | 94.6 | 163 | -39.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 164 | R | 43.2 | Very low | 41.2 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -116.4 | 95.3 | 172.4 | -156.3 | 177 | -170.5 | 160.1 | 2.6 | 109 | P162 K166 | P162-R164 PolarHBondContact O-N 3.35Å; R164-K166 PolarHBondContact O-N 2.9Å | ||
| 165 | I | 40.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -69 | 109.1 | 167.7 | -60.8 | 170.7 | 0 | 0 | 0 | 106.7 | ||||
| 166 | K | 47 | Very low | 41.1 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 116.5 | 165.4 | -70.1 | -178.5 | 177.4 | 180 | 0 | 107.4 | R164 | R164-K166 PolarHBondContact O-N 2.9Š| ||
| 167 | N | 35.3 | Very low | 41.1 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 110.3 | 159.5 | -76.5 | -21.7 | 0 | 0 | 0 | 106.8 | ||||
| 168 | E | 44.7 | Very low | 41.5 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -111.4 | 104.2 | 159.1 | -66.6 | -160.7 | 162.4 | 0 | 0 | 107 | ||||
| 169 | F | 37 | Very low | 41.4 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -89.9 | 109.2 | 167.5 | 174.4 | -91.2 | 0 | 0 | 0 | 106.4 | ||||
| 170 | E | 40.6 | Very low | 42.2 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -163.7 | 127.8 | 144.1 | -117.5 | 178.8 | 144.9 | 0 | 0 | 110.2 | ||||
| 171 | S | 38.4 | Very low | 42.8 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 67.9 | 118.3 | 161.4 | 63.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 172 | G | 39.3 | Very low | 43.8 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | 116.8 | 115 | 154.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G174 | G172-G174 PolarHBondContact O-N 3.49Å; G172-G174 VanDerWaalsContact O-N 3.15Å | ||
| 173 | L | 35 | Very low | 43.8 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 100% | 1 | 73% | 0.73 | S | S | * | * | trans | -32.5 | 111.1 | 165.7 | -61.1 | 164.5 | 0 | 0 | 0 | 112.3 | ||||
| 174 | G | 35.9 | Very low | 44.5 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -151.6 | 109.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G172 I176 | G172-G174 PolarHBondContact O-N 3.49Å; G172-G174 VanDerWaalsContact O-N 3.15Å; G174-I176 PolarHBondContact O-N 2.9Å | ||
| 175 | E | 36.9 | Very low | 45.1 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -46 | 123.7 | 167.3 | -170.2 | 172.4 | 163.8 | 0 | 0 | 110.3 | T177 | E175-T177 PolarHBondContact O-N 3.07Š| ||
| 176 | I | 43.6 | Very low | 45.8 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | trans | -75 | 81.8 | 175.6 | -57.5 | 170.2 | 0 | 0 | 0 | 107.1 | G174 I178 | G174-I176 PolarHBondContact O-N 2.9Å; I176-I178 HydrophobicContact CG2-CG1 4.24Å; I176-I178 PolarHBondContact O-N 3.5Å; I176-I178 VanDerWaalsContact O-N 3.11Å | ||
| 177 | T | 44.7 | Very low | 46.7 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | trans | -71.8 | 99.5 | 165.6 | -50.6 | 0 | 0 | 0 | 0 | 107.4 | E175 G179 | E175-T177 PolarHBondContact O-N 3.07Å; T177-G179 VanDerWaalsContact C-N 3.28Å; T177-G179 PolarHBondContact O-N 3.21Å | ||
| 178 | I | 55.2 | Low | 47.9 | Very low | 104 Ų | 104 | 121 Ų | 121 | 53% | 0.533 | 66% | 0.663 | S | S | . | * | trans | -65.1 | 97.2 | 164.9 | -59 | 175 | 0 | 0 | 0 | 105.7 | I176 V182 Y183 | I176-I178 HydrophobicContact CG2-CG1 4.24Å; I176-I178 PolarHBondContact O-N 3.5Å; I176-I178 VanDerWaalsContact O-N 3.11Å; I178-V182 HydrophobicContact CG2-CB 4.31Å; I178-Y183 HydrophobicContact CG2-CD2 4.26Å; I178-Y183 HydrophobicContact CG2-CE2 3.83Å | ||
| 179 | G | 46.4 | Very low | 48.9 | Very low | 26 Ų | 26 | 119.4 Ų | 119.4 | 27% | 0.268 | 66% | 0.655 | S | S | . | * | trans | -56.5 | 147.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T177 D181 V182 | T177-G179 VanDerWaalsContact C-N 3.28Å; T177-G179 PolarHBondContact O-N 3.21Å; G179-D181 PolarHBondContact O-N 3.31Å; G179-V182 PolarHBondContact O-N 2.9Å; G179-V182 VanDerWaalsContact O-N 3.15Å | ||
| 180 | P | 57.8 | Low | 50.1 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.6 | -17.3 | -179.4 | 22.7 | -33.4 | 0 | 0 | 0 | 113.4 | Y183 Q184 | P180-Y183 PolarHBondContact O-N 3.19Å; P180-Q184 PolarHBondContact O-N 2.88Å |
| 181 | D | 51.8 | Low | 51.3 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.7 | -33.4 | 179.8 | -132.7 | -10.3 | 0 | 0 | 0 | 113.5 | G179 Y183 Q184 L185 | G179-D181 PolarHBondContact O-N 3.31Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 3.38Å; D181-Q184 PolarHBondContact O-N 3.38Å; D181-L185 WeakPolarHBondContact O-CD1 3.21Å; D181-L185 PolarHBondContact O-N 2.93Å |
| 182 | V | 56.4 | Low | 52.5 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 58% | 0.582 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.1 | -35.3 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 111 | I178 G179 S186 | I178-V182 HydrophobicContact CG2-CB 4.31Å; G179-V182 PolarHBondContact O-N 2.9Å; G179-V182 VanDerWaalsContact O-N 3.15Å; V182-S186 PolarHBondContact O-N 3.15Å |
| 183 | Y | 53.1 | Low | 53.8 | Low | 148 Ų | 148 | 112 Ų | 112 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.6 | -41.9 | 173.6 | -78.9 | -82.8 | 0 | 0 | 0 | 111.4 | I178 P180 D181 S186 M187 | I178-Y183 HydrophobicContact CG2-CD2 4.26Å; I178-Y183 HydrophobicContact CG2-CE2 3.83Å; P180-Y183 PolarHBondContact O-N 3.19Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 3.38Å; Y183-S186 PolarHBondContact O-N 3.27Å; Y183-S186 PolarHBondContact O-OG 2.88Å; Y183-M187 WeakPolarHBondContact O-CG 3.36Å; Y183-M187 PolarHBondContact O-N 3.45Å |
| 184 | Q | 51.2 | Low | 55.4 | Low | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.2 | -48.8 | 176.3 | -113 | -108 | 55.3 | 0 | 0 | 112.1 | P180 D181 S186 M187 Q188 | P180-Q184 PolarHBondContact O-N 2.88Å; D181-Q184 PolarHBondContact O-N 3.38Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.96Å; Q184-M187 PolarHBondContact O-N 3.31Å; Q184-Q188 WeakPolarHBondContact O-CB 3.31Å; Q184-Q188 PolarHBondContact O-N 3.02Å |
| 185 | L | 56.3 | Low | 56.7 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.7 | -36.6 | 175.9 | -89.9 | 108.9 | 0 | 0 | 0 | 112.7 | D181 Q188 Q189 | D181-L185 WeakPolarHBondContact O-CD1 3.21Å; D181-L185 PolarHBondContact O-N 2.93Å; L185-Q188 PolarHBondContact O-N 3.45Å; L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.38Å |
| 186 | S | 55.9 | Low | 58 | Low | 53 Ų | 53 | 104.5 Ų | 104.5 | 37% | 0.371 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 176.1 | 85.3 | 0 | 0 | 0 | 0 | 112.5 | V182 Y183 Q184 Q190 | V182-S186 PolarHBondContact O-N 3.15Å; Y183-S186 PolarHBondContact O-N 3.27Å; Y183-S186 PolarHBondContact O-OG 2.88Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.96Å; S186-Q190 PolarHBondContact O-N 3.06Å |
| 187 | M | 64.4 | Low | 58.9 | Low | 106 Ų | 106 | 100 Ų | 100 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -39.4 | 176 | -73.9 | -66.6 | 99.2 | 0 | 0 | 111 | Y183 Q184 Q190 H191 | Y183-M187 WeakPolarHBondContact O-CG 3.36Å; Y183-M187 PolarHBondContact O-N 3.45Å; Q184-M187 PolarHBondContact O-N 3.31Å; M187-Q190 PolarHBondContact O-N 3.22Å; M187-H191 WeakPolarHBondContact O-CB 3.36Å; M187-H191 PolarHBondContact O-N 2.89Å |
| 188 | Q | 60.5 | Low | 59.4 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.3 | -35.7 | 177.2 | -165.8 | 156 | 23.1 | 0 | 0 | 112.1 | Q184 L185 Q190 H191 M192 | Q184-Q188 WeakPolarHBondContact O-CB 3.31Å; Q184-Q188 PolarHBondContact O-N 3.02Å; L185-Q188 PolarHBondContact O-N 3.45Å; Q188-Q190 VanDerWaalsContact C-N 3.34Å; Q188-H191 PolarHBondContact O-N 3.09Å; Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.48Å; Q188-M192 PolarHBondContact O-N 2.86Å |
| 189 | Q | 66.5 | Low | 59.3 | Low | 144 Ų | 144 | 101.9 Ų | 101.9 | 67% | 0.673 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -39.9 | 171 | -168.4 | 85.1 | 73.3 | 0 | 0 | 111.4 | L185 S193 | L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.38Å; Q189-S193 WeakPolarHBondContact O-CB 3.35Å; Q189-S193 PolarHBondContact O-N 2.84Å; Q189-S193 VanDerWaalsContact O-N 3.09Å |
| 190 | Q | 61.7 | Low | 59.7 | Low | 122 Ų | 122 | 106.3 Ų | 106.3 | 57% | 0.57 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 173 | -79.8 | -167.6 | -45.7 | 0 | 0 | 112 | S186 M187 Q188 M192 S193 V194 | S186-Q190 PolarHBondContact O-N 3.06Å; M187-Q190 PolarHBondContact O-N 3.22Å; Q188-Q190 VanDerWaalsContact C-N 3.34Å; Q190-M192 PolarHBondContact O-N 3.48Å; Q190-S193 WeakPolarHBondContact O-CB 3.48Å; Q190-S193 PolarHBondContact O-N 3.28Å; Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 2.96Å |
| 191 | H | 66.7 | Low | 59.7 | Low | 119 Ų | 119 | 109.2 Ų | 109.2 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.5 | -38.3 | 179 | -164.7 | -109.2 | 0 | 0 | 0 | 112.3 | M187 Q188 V194 L195 | M187-H191 WeakPolarHBondContact O-CB 3.36Å; M187-H191 PolarHBondContact O-N 2.89Å; Q188-H191 PolarHBondContact O-N 3.09Å; H191-V194 PolarHBondContact O-N 3.14Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 WeakPolarHBondContact O-CG 3.39Å; H191-L195 PolarHBondContact O-N 2.9Å |
| 192 | M | 64 | Low | 59.7 | Low | 94 Ų | 94 | 114.4 Ų | 114.4 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -39.8 | 173.1 | -78.5 | -98.2 | 51 | 0 | 0 | 112.4 | Q188 Q190 L195 Q196 | Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.48Å; Q188-M192 PolarHBondContact O-N 2.86Å; Q190-M192 PolarHBondContact O-N 3.48Å; M192-L195 PolarHBondContact O-N 3.33Å; M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 WeakPolarHBondContact O-CG 3.41Å; M192-Q196 PolarHBondContact O-N 2.84Å |
| 193 | S | 66.1 | Low | 59.5 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | Q189 Q190 S197 | Q189-S193 WeakPolarHBondContact O-CB 3.35Å; Q189-S193 PolarHBondContact O-N 2.84Å; Q189-S193 VanDerWaalsContact O-N 3.09Å; Q190-S193 WeakPolarHBondContact O-CB 3.48Å; Q190-S193 PolarHBondContact O-N 3.28Å; S193-S197 PolarHBondContact O-N 3.35Å; S193-S197 VanDerWaalsContact O-N 3.14Å |
| 194 | V | 68.7 | Low | 59.2 | Low | 70 Ų | 70 | 117.8 Ų | 117.8 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.7 | -48.8 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | Q190 H191 Q196 S197 Y198 | Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 2.96Å; H191-V194 PolarHBondContact O-N 3.14Å; V194-Q196 PolarHBondContact O-N 3.47Å; V194-S197 WeakPolarHBondContact O-CB 3.25Å; V194-S197 PolarHBondContact O-N 3.07Å; V194-S197 VanDerWaalsContact O-N 3.07Å; V194-S197 PolarHBondContact O-OG 3.5Å; V194-Y198 HydrophobicContact CG1-CD2 3.7Å; V194-Y198 HydrophobicContact CG1-CE2 3.53Å; V194-Y198 VanDerWaalsContact O-CD2 3.25Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.24Å |
| 195 | L | 63.8 | Low | 59.1 | Low | 76 Ų | 76 | 117.1 Ų | 117.1 | 40% | 0.398 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.3 | -39.1 | 177.9 | -76.2 | 170.3 | 0 | 0 | 0 | 113.3 | H191 M192 S197 Y198 C199 | H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 WeakPolarHBondContact O-CG 3.39Å; H191-L195 PolarHBondContact O-N 2.9Å; M192-L195 PolarHBondContact O-N 3.33Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.42Å; L195-Y198 PolarHBondContact O-N 3.42Å; L195-Y198 VanDerWaalsContact O-N 3.17Å; L195-C199 PolarHBondContact O-N 2.92Å |
| 196 | Q | 62.2 | Low | 58.6 | Low | 128 Ų | 128 | 116.5 Ų | 116.5 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.9 | -39.4 | 172.6 | -81.2 | -177.9 | -43.6 | 0 | 0 | 111.7 | M192 V194 Y198 C199 L200 | M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 WeakPolarHBondContact O-CG 3.41Å; M192-Q196 PolarHBondContact O-N 2.84Å; V194-Q196 PolarHBondContact O-N 3.47Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Q196-C199 PolarHBondContact O-N 3.18Å; Q196-L200 WeakPolarHBondContact O-CD1 3.47Å; Q196-L200 PolarHBondContact O-N 3.46Å; Q196-L200 VanDerWaalsContact O-N 3.13Å |
| 197 | S | 63.3 | Low | 58 | Low | 63 Ų | 63 | 119.4 Ų | 119.4 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.8 | -34.4 | 175.5 | 80.8 | 0 | 0 | 0 | 0 | 112.6 | S193 V194 L195 K201 | S193-S197 PolarHBondContact O-N 3.35Å; S193-S197 VanDerWaalsContact O-N 3.14Å; V194-S197 WeakPolarHBondContact O-CB 3.25Å; V194-S197 PolarHBondContact O-N 3.07Å; V194-S197 VanDerWaalsContact O-N 3.07Å; V194-S197 PolarHBondContact O-OG 3.5Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.42Å; S197-K201 WeakPolarHBondContact O-CB 3.48Å; S197-K201 PolarHBondContact O-N 3.03Å |
| 198 | Y | 55.4 | Low | 57 | Low | 163 Ų | 163 | 120 Ų | 120 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.8 | -36.4 | 176.6 | -83.9 | -78.5 | 0 | 0 | 0 | 113.2 | V194 L195 Q196 K201 R202 | V194-Y198 HydrophobicContact CG1-CD2 3.7Å; V194-Y198 HydrophobicContact CG1-CE2 3.53Å; V194-Y198 VanDerWaalsContact O-CD2 3.25Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.24Å; L195-Y198 PolarHBondContact O-N 3.42Å; L195-Y198 VanDerWaalsContact O-N 3.17Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Y198-K201 PolarHBondContact O-N 3.46Å; Y198-R202 PolarHBondContact O-N 3.17Å |
| 199 | C | 53.6 | Low | 56.1 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.2 | -42.8 | 175.9 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | L195 Q196 K201 R202 | L195-C199 PolarHBondContact O-N 2.92Å; Q196-C199 PolarHBondContact O-N 3.18Å; C199-K201 VanDerWaalsContact C-N 3.27Å; C199-K201 PolarHBondContact O-N 2.92Å; C199-R202 PolarHBondContact O-N 3.13Å |
| 200 | L | 55.3 | Low | 55 | Low | 120 Ų | 120 | 116.3 Ų | 116.3 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.9 | -29.3 | 173.9 | -82.8 | 150.1 | 0 | 0 | 0 | 112.6 | Q196 R202 | Q196-L200 WeakPolarHBondContact O-CD1 3.47Å; Q196-L200 PolarHBondContact O-N 3.46Å; Q196-L200 VanDerWaalsContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.32Å |
| 201 | K | 56.4 | Low | 53.9 | Low | 173 Ų | 173 | 114.2 Ų | 114.2 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.1 | -17.2 | 177.5 | -142.6 | 112 | -179.7 | -166.7 | 0 | 113.7 | S197 Y198 C199 | S197-K201 WeakPolarHBondContact O-CB 3.48Å; S197-K201 PolarHBondContact O-N 3.03Å; Y198-K201 PolarHBondContact O-N 3.46Å; C199-K201 VanDerWaalsContact C-N 3.27Å; C199-K201 PolarHBondContact O-N 2.92Å |
| 202 | R | 52.6 | Low | 52.6 | Low | 216 Ų | 216 | 112.2 Ų | 112.2 | 82% | 0.815 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -94.2 | -23.4 | -177.8 | -149.4 | -178.5 | -99 | -164.1 | -4.3 | 112.9 | Y198 C199 L200 | Y198-R202 PolarHBondContact O-N 3.17Å; C199-R202 PolarHBondContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.32Å |
| 203 | E | 50.8 | Low | 51.2 | Low | 159 Ų | 159 | 118.6 Ų | 118.6 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.1 | -12.7 | 177.5 | -73.4 | -167 | 159.7 | 0 | 0 | 114.8 | ||
| 204 | L | 48.4 | Very low | 50.4 | Low | 156 Ų | 156 | 121.2 Ų | 121.2 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 0.2 | 177 | -68.3 | 171.1 | 0 | 0 | 0 | 114 | ||
| 205 | S | 47.7 | Very low | 49.2 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -91.7 | -3.2 | -175.2 | 178.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 206 | S | 47.2 | Very low | 48 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -109.1 | 7.3 | -170.6 | 69 | 0 | 0 | 0 | 0 | 116.1 | ||
| 207 | C | 42.1 | Very low | 47.2 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -116.8 | 99.5 | -174.1 | -64.2 | 0 | 0 | 0 | 0 | 113 | ||
| 208 | S | 43.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 71 | 97 | 144.1 | -143.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 209 | A | 41.6 | Very low | 46.4 | Very low | 104 Ų | 104 | 129 Ų | 129 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -76.5 | 143.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 210 | G | 43 | Very low | 46.2 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 113.1 | 124.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 211 | G | 40 | Very low | 45.8 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | cis | 151 | 130.1 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 212 | G | 38.7 | Very low | 45.4 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 71.8 | 111 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 213 | R | 35.4 | Very low | 45.3 | Very low | 228 Ų | 228 | 121.7 Ų | 121.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 83.8 | 141.1 | 77 | -157.8 | -165.5 | 175.8 | 153.8 | -1.1 | 112.9 | |||||
| 214 | L | 49.2 | Very low | 45 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | 90 | 129.5 | 161.8 | -58.1 | -178.5 | 0 | 0 | 0 | 114.7 | ||||
| 215 | E | 43.1 | Very low | 45.4 | Very low | 170 Ų | 170 | 118.3 Ų | 118.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | -152.6 | 163.5 | 4.9 | -63.9 | -148.1 | 103.8 | 0 | 0 | 111.2 | ||||
| 216 | T | 39.1 | Very low | 45.3 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 147.9 | 167.8 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 217 | S | 43.8 | Very low | 45.2 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 175.5 | 126.4 | 134.7 | -80.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | S | 54.1 | Low | 45.2 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | 85.7 | 133.8 | 136.2 | -48.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 219 | D | 49.5 | Very low | 45.3 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | 78.7 | 121.7 | 155.5 | -46.7 | -29 | 0 | 0 | 0 | 116.5 | ||||
| 220 | G | 48.1 | Very low | 45.5 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 133 | 110 | 19.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 221 | S | 46.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 179.2 | 122.3 | 151.1 | -87.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 222 | T | 48.9 | Very low | 46.1 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -78 | 133.6 | 173.1 | 37.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 223 | A | 50.1 | Low | 46.7 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -157.5 | 101.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | S | 44.5 | Very low | 46.8 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 158.7 | 157.3 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 225 | P | 56.6 | Low | 46.6 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -140 | 152 | 105.9 | 30.7 | -14.1 | 0 | 0 | 0 | 114.4 | |||||
| 226 | H | 45.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 132 Ų | 132 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -49.8 | 143.6 | 169.2 | -86.8 | -113 | 0 | 0 | 0 | 113.9 | ||||
| 227 | G | 45.3 | Very low | 47.1 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -179.1 | 79.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 228 | G | 43.4 | Very low | 47.5 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -81 | 157.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 229 | F | 45.6 | Very low | 47.2 | Very low | 178 Ų | 178 | 131 Ų | 131 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | -178.2 | 108.7 | 127.8 | -167.2 | -104.7 | 0 | 0 | 0 | 110.2 | |||||
| 230 | I | 44.1 | Very low | 46.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 63% | 0.626 | 82% | 0.815 | S | S | * | * | trans | 38.1 | 120.9 | 132.4 | -50.4 | -170 | 0 | 0 | 0 | 118 | ||||
| 231 | T | 52.8 | Low | 47.1 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | -164.4 | 120.3 | 101.9 | -32 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 232 | E | 44.6 | Very low | 47 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -59.4 | 134.7 | 159.9 | -80.1 | -157.8 | 139.2 | 0 | 0 | 111 | ||||
| 233 | L | 49.9 | Very low | 46.9 | Very low | 175 Ų | 175 | 130 Ų | 130 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -146.3 | 112.4 | 133.7 | -78.8 | -175.3 | 0 | 0 | 0 | 107.1 | ||||
| 234 | G | 38.1 | Very low | 46.8 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -66.5 | 135.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 235 | F | 45.4 | Very low | 47.3 | Very low | 212 Ų | 212 | 133 Ų | 133 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -133.9 | 102.9 | 152.9 | -144.2 | -95.7 | 0 | 0 | 0 | 107.1 | A237 | F235-A237 PolarHBondContact O-N 3.39Š| ||
| 236 | E | 47.9 | Very low | 46.6 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -53.5 | 125.8 | 176.1 | -75.5 | -94.7 | 105.7 | 0 | 0 | 110.4 | V238 | E236-V238 HydrophobicContact CB-CG2 4.4Å; E236-V238 PolarHBondContact O-N 3.33Å | ||
| 237 | A | 43.3 | Very low | 46.7 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 107.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | F235 | F235-A237 PolarHBondContact O-N 3.39Š| ||
| 238 | V | 52.4 | Low | 46.8 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 125 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | E236 | E236-V238 HydrophobicContact CB-CG2 4.4Å; E236-V238 PolarHBondContact O-N 3.33Å | ||
| 239 | G | 48.8 | Very low | 46.9 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 110.2 | 92.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 240 | S | 42.8 | Very low | 47 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -56.3 | 135 | 163.6 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | A242 | S240-A242 PolarHBondContact O-N 3.25Š| ||
| 241 | P | 53.1 | Low | 47.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -89.7 | 82.6 | 175.6 | 34.8 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 242 | A | 43.5 | Very low | 47.1 | Very low | 80 Ų | 80 | 140 Ų | 140 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -111.9 | 138.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107 | S240 | S240-A242 PolarHBondContact O-N 3.25Š| ||
| 243 | D | 48 | Very low | 46.9 | Very low | 165 Ų | 165 | 137 Ų | 137 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 78.3 | 95.4 | -172.7 | -72.4 | -36 | 0 | 0 | 0 | 117.4 | ||||
| 244 | M | 46.8 | Very low | 46.7 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -147 | 141.2 | 141.3 | -101.2 | -78 | 110.3 | 0 | 0 | 109.8 | ||||
| 245 | P | 54.9 | Low | 47.1 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 61% | 0.61 | 82% | 0.82 | S | S | * | * | trans | -85.9 | 150.9 | -155.1 | 34.9 | -34 | 0 | 0 | 0 | 113.5 | Y247 | P245-Y247 PolarHBondContact O-N 3.26Š| ||
| 246 | Q | 41.7 | Very low | 47.2 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -62.2 | 111.8 | 174.7 | -71.1 | -98.6 | -28.8 | 0 | 0 | 111.2 | ||||
| 247 | Y | 47.7 | Very low | 47.2 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -93.5 | 110.5 | 161.5 | -108.2 | -88.5 | 0 | 0 | 0 | 109.5 | P245 N249 | P245-Y247 PolarHBondContact O-N 3.26Å; Y247-N249 PolarHBondContact O-N 3.4Å | ||
| 248 | S | 48.6 | Very low | 47.4 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -63 | 121.5 | 172.4 | 40.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 249 | N | 44.8 | Very low | 47.1 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -93 | 101 | 163.1 | -74.9 | -52.9 | 0 | 0 | 0 | 108.7 | Y247 | Y247-N249 PolarHBondContact O-N 3.4Š| ||
| 250 | V | 47.9 | Very low | 47 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -91.1 | 112.8 | 157.7 | 178.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 251 | L | 48.7 | Very low | 47.3 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 122.9 | 166.4 | -82.5 | 173.1 | 0 | 0 | 0 | 109.1 | ||
| 252 | P | 49.7 | Very low | 46.8 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 143.3 | 171.6 | -13.8 | 29.6 | 0 | 0 | 0 | 112.8 | ||
| 253 | S | 39.9 | Very low | 47.1 | Very low | 116 Ų | 116 | 160.1 Ų | 160.1 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.1 | 170.7 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 254 | Y | 46.5 | Very low | 47 | Very low | 304 Ų | 304 | 159.6 Ų | 159.6 | 100% | 1.192 | 83% | 0.829 | S | S | * | * | trans | -132.3 | 0 | 146.5 | -96.9 | -83.9 | 0 | 0 | 0 | 108.7 |
Retrieved 254 of 254 residues in 94.9 ms
(Link to these results)