| 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 | 45.5 | Very low | 44.7 | Very low | 239 Ų | 239 | 150.2 Ų | 150.2 | 100% | 1.177 | 85% | 0.852 | S | S | * | * | 0 | 109.3 | 0 | -76 | -67.4 | 151.7 | 0 | 0 | 108.2 | |||||
| 2 | P | 48.6 | Very low | 45.3 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -128.3 | 123.2 | 156 | 31.5 | -15.8 | 0 | 0 | 0 | 113.1 | ||||
| 3 | E | 40.8 | Very low | 45.9 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | 51.3 | 115.3 | 135.4 | -53.7 | -140.8 | 125 | 0 | 0 | 122 | ||||
| 4 | T | 43.8 | Very low | 46.8 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -79.6 | 115.8 | 165.4 | 31.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | A | 48.4 | Very low | 48.6 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -81 | 134 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 6 | Q | 43.4 | Very low | 49.7 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117.8 | -177.8 | -60.8 | 176.1 | -8.4 | 0 | 0 | 110.3 | T8 | Q6-T8 PolarHBondContact O-N 3.43Š|
| 7 | E | 41.1 | Very low | 50.5 | Low | 200 Ų | 200 | 141.1 Ų | 141.1 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116 | 169.2 | -81.6 | -171.7 | 122.4 | 0 | 0 | 110.4 | C9 | E7-C9 PolarHBondContact O-N 3.39Š|
| 8 | T | 40.2 | Very low | 52 | Low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -86 | 102.7 | 171.9 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | Q6 T10 | Q6-T8 PolarHBondContact O-N 3.43Å; T8-T10 PolarHBondContact O-N 2.88Å | ||
| 9 | C | 40.3 | Very low | 53 | Low | 126 Ų | 126 | 138.5 Ų | 138.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 106 | 175.5 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | E7 | E7-C9 PolarHBondContact O-N 3.39Š| ||
| 10 | T | 50.1 | Low | 53.7 | Low | 106 Ų | 106 | 139.9 Ų | 139.9 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -76 | 140.5 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | T8 V12 | T8-T10 PolarHBondContact O-N 2.88Å; T10-V12 PolarHBondContact O-N 3.32Å | ||
| 11 | P | 49.4 | Very low | 54.2 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -73.9 | 123.6 | -173.8 | 28.8 | -33.8 | 0 | 0 | 0 | 113 | K13 | P11-K13 HydrophobicContact CB-CG 4.45Å; P11-K13 PolarHBondContact O-N 3.01Å | ||
| 12 | V | 52.5 | Low | 55.4 | Low | 117 Ų | 117 | 132.7 Ų | 132.7 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | trans | -72.2 | 39.5 | -175.2 | -159 | 0 | 0 | 0 | 0 | 114 | T10 D14 | T10-V12 PolarHBondContact O-N 3.32Å; V12-D14 VanDerWaalsContact C-N 3.32Å; V12-D14 PolarHBondContact O-N 3.25Å | ||
| 13 | K | 52.6 | Low | 56.3 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -7.7 | -170.2 | -70.8 | -178.4 | -179.5 | 176.5 | 0 | 115.3 | P11 | P11-K13 HydrophobicContact CB-CG 4.45Å; P11-K13 PolarHBondContact O-N 3.01Å |
| 14 | D | 59.1 | Low | 56.8 | Low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 33.5 | -177.9 | -61.1 | -45.4 | 0 | 0 | 0 | 113.6 | V12 | V12-D14 VanDerWaalsContact C-N 3.32Å; V12-D14 PolarHBondContact O-N 3.25Å |
| 15 | S | 73.7 | Confident | 57.2 | Low | 40 Ų | 40 | 128.1 Ų | 128.1 | 28% | 0.28 | 70% | 0.699 | S | S | . | * | trans | -71.5 | 126.5 | 170.4 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | F17 F18 | S15-F17 PolarHBondContact O-N 3.45Å; S15-F17 PolarHBondContact OG-N 2.92Å; S15-F18 VanDerWaalsContact O-CB 3.27Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 2.88Å | ||
| 16 | P | 65.3 | Low | 57.5 | Low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -6.9 | 176.7 | 26.8 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 17 | F | 62.9 | Low | 57.8 | Low | 175 Ų | 175 | 126.3 Ų | 126.3 | 77% | 0.768 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 5.5 | 174 | -65.9 | -81.6 | 0 | 0 | 0 | 113.2 | S15 I19 | S15-F17 PolarHBondContact O-N 3.45Å; S15-F17 PolarHBondContact OG-N 2.92Å; F17-I19 PolarHBondContact O-N 3.33Å |
| 18 | F | 78.4 | Confident | 57.9 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 46% | 0.461 | 69% | 0.685 | S | S | . | * | trans | -70.5 | 126.2 | -179.3 | -149.3 | -96.1 | 0 | 0 | 0 | 110.2 | S15 K20 N21 L22 | S15-F18 VanDerWaalsContact O-CB 3.27Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 2.88Å; F18-K20 HydrophobicContact CD1-CB 4.22Å; F18-K20 PolarHBondContact O-N 2.97Å; F18-N21 WeakPolarHBondContact O-CB 3.42Å; F18-N21 PolarHBondContact O-N 2.96Å; F18-L22 WeakPolarHBondContact O-CD1 3.45Å | ||
| 19 | I | 70.9 | Confident | 58 | Low | 128 Ų | 128 | 126 Ų | 126 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -56.5 | -32.4 | -167.8 | -62 | 166.9 | 0 | 0 | 0 | 112.6 | F17 N21 L22 L23 | F17-I19 PolarHBondContact O-N 3.33Å; I19-N21 VanDerWaalsContact C-N 3.29Å; I19-N21 PolarHBondContact O-N 3.12Å; I19-L22 PolarHBondContact O-N 3.13Å; I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.47Å; I19-L23 WeakPolarHBondContact O-CG 3.33Å; I19-L23 PolarHBondContact O-N 3.13Å |
| 20 | K | 67.8 | Low | 58.1 | Low | 166 Ų | 166 | 125.5 Ų | 125.5 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.5 | -33.4 | 174.7 | -79.1 | -175 | 167.8 | -175.3 | 0 | 113.3 | F18 L23 N24 | F18-K20 HydrophobicContact CD1-CB 4.22Å; F18-K20 PolarHBondContact O-N 2.97Å; K20-L23 PolarHBondContact O-N 3.07Å; K20-N24 PolarHBondContact O-N 3.01Å |
| 21 | N | 64.1 | Low | 57.7 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75.9 | -27.5 | 178.6 | -123.2 | 5.6 | 0 | 0 | 0 | 112.2 | F18 I19 L23 | F18-N21 WeakPolarHBondContact O-CB 3.42Å; F18-N21 PolarHBondContact O-N 2.96Å; I19-N21 VanDerWaalsContact C-N 3.29Å; I19-N21 PolarHBondContact O-N 3.12Å; N21-L23 VanDerWaalsContact C-N 3.33Å |
| 22 | L | 69.7 | Low | 57.4 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 59% | 0.586 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75 | -23.4 | 172.8 | -77.5 | 96.2 | 0 | 0 | 0 | 112.9 | F18 I19 | F18-L22 WeakPolarHBondContact O-CD1 3.45Å; I19-L22 PolarHBondContact O-N 3.13Å |
| 23 | L | 68.8 | Low | 57 | Low | 134 Ų | 134 | 134 Ų | 134 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -96.7 | -14.3 | -176.9 | -68.2 | 168.4 | 0 | 0 | 0 | 113.6 | I19 K20 N21 C25 | I19-L23 HydrophobicContact CG2-CD1 3.77Å; I19-L23 HydrophobicContact CG2-CG 4.47Å; I19-L23 WeakPolarHBondContact O-CG 3.33Å; I19-L23 PolarHBondContact O-N 3.13Å; K20-L23 PolarHBondContact O-N 3.07Å; N21-L23 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 2.76Å |
| 24 | N | 50.7 | Low | 56.5 | Low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | trans | -81.3 | 58.6 | 177.1 | -157.6 | 82.4 | 0 | 0 | 0 | 111.8 | K20 D26 | K20-N24 PolarHBondContact O-N 3.01Å; N24-D26 PolarHBondContact O-N 2.72Å; N24-D26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | C | 51.8 | Low | 56.1 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 75% | 0.75 | 71% | 0.71 | S | S | * | * | trans | -82.7 | 55.6 | 169.4 | -68.7 | 0 | 0 | 0 | 0 | 110.5 | L23 | L23-C25 PolarHBondContact O-N 2.76Š| ||
| 26 | D | 55.1 | Low | 54.6 | Low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | -106 | 70.2 | 171 | -118.6 | -60.1 | 0 | 0 | 0 | 109 | N24 | N24-D26 PolarHBondContact O-N 2.72Å; N24-D26 VanDerWaalsContact O-N 3.13Å | ||
| 27 | S | 48.3 | Very low | 53.2 | Low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -125.4 | 105.8 | 162.8 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 28 | K | 45 | Very low | 51.8 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -46.5 | 139 | 175.8 | -66.5 | -177.9 | 176.1 | 177.4 | 0 | 111.3 | S30 | K28-S30 PolarHBondContact O-N 2.71Å; K28-S30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | P | 42.4 | Very low | 50 | Low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 107.8 | 171.4 | 28.2 | -31.7 | 0 | 0 | 0 | 110 | K31 | P29-K31 PolarHBondContact O-N 2.71Š| ||
| 30 | S | 40.7 | Very low | 48.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 112.5 | 164.2 | 162.3 | 0 | 0 | 0 | 0 | 109.2 | K28 | K28-S30 PolarHBondContact O-N 2.71Å; K28-S30 VanDerWaalsContact O-N 3.07Å | ||
| 31 | K | 42.2 | Very low | 46.9 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.5 | 175.6 | -67.4 | 174.3 | 177.2 | 175.7 | 0 | 111.6 | P29 | P29-K31 PolarHBondContact O-N 2.71Š|
| 32 | P | 44.3 | Very low | 46 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 136.3 | 165.5 | 30.1 | -31.1 | 0 | 0 | 0 | 110.3 | P34 | P32-P34 WeakPolarHBondContact O-CD 3.49Š|
| 33 | K | 44.3 | Very low | 44.4 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.2 | 172.6 | -69.8 | 173.7 | 179 | 171.5 | 0 | 109.6 | ||
| 34 | P | 41.7 | Very low | 43.2 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.8 | 167.1 | 30.4 | -29 | 0 | 0 | 0 | 109.5 | P32 | P32-P34 WeakPolarHBondContact O-CD 3.49Š|
| 35 | I | 50.4 | Low | 42.6 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 102.8 | 161.3 | -54 | 169.1 | 0 | 0 | 0 | 104.8 | ||||
| 36 | F | 42.3 | Very low | 42 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -161.5 | 132.9 | 145 | -99.4 | -70 | 0 | 0 | 0 | 108.9 | ||||
| 37 | A | 36.1 | Very low | 41.2 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -65.7 | 149 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A39 | A37-A39 PolarHBondContact O-N 3.1Š| ||
| 38 | S | 33.8 | Very low | 40.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -62.4 | 121.6 | 166.8 | -174 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 39 | A | 40.6 | Very low | 40.7 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -125.9 | 112.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | A37 | A37-A39 PolarHBondContact O-N 3.1Š| ||
| 40 | K | 39.3 | Very low | 40.8 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -59.2 | 127.7 | 168.7 | -91.1 | -174.4 | 167.2 | 177 | 0 | 109.7 | ||||
| 41 | A | 34 | Very low | 41.2 | Very low | 96 Ų | 96 | 143 Ų | 143 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -156.8 | 117.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 42 | A | 43.6 | Very low | 41.3 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -67.3 | 133.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 43 | F | 36.9 | Very low | 41.2 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -149.6 | 104.1 | 151.8 | -142 | -97.6 | 0 | 0 | 0 | 108.5 | ||||
| 44 | E | 44.1 | Very low | 41.5 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -52.3 | 128.7 | 154.4 | -103 | -179.7 | 149.2 | 0 | 0 | 108.5 | ||||
| 45 | G | 37.6 | Very low | 41.9 | Very low | 56 Ų | 56 | 137.1 Ų | 137.1 | 58% | 0.577 | 80% | 0.802 | S | S | * | * | trans | -178.6 | 89.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F47 | G45-F47 PolarHBondContact O-N 3.01Š| ||
| 46 | G | 39.6 | Very low | 42 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -51.8 | 132.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S48 | G46-S48 PolarHBondContact O-N 3.39Š| ||
| 47 | F | 37.1 | Very low | 42.1 | Very low | 214 Ų | 214 | 135.9 Ų | 135.9 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 87.6 | 170.9 | -77.8 | -84.4 | 0 | 0 | 0 | 108.8 | G45 L49 | G45-F47 PolarHBondContact O-N 3.01Å; F47-L49 PolarHBondContact O-N 3.24Å | ||
| 48 | S | 42.8 | Very low | 42.8 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -63 | 111.3 | 154.2 | -117.6 | 0 | 0 | 0 | 0 | 107.5 | G46 S50 | G46-S48 PolarHBondContact O-N 3.39Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.21Å | ||
| 49 | L | 41.3 | Very low | 43.7 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -76 | 84.6 | 169.7 | -164.6 | 82.7 | 0 | 0 | 0 | 107.6 | F47 Q51 | F47-L49 PolarHBondContact O-N 3.24Å; L49-Q51 PolarHBondContact O-N 2.88Å | ||
| 50 | S | 43.9 | Very low | 44.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 117.8 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | S48 V52 | S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.21Å; S50-V52 PolarHBondContact O-N 3.41Å | ||
| 51 | Q | 48.3 | Very low | 44.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -57.2 | 122 | 171.5 | -175 | 151.5 | -35.2 | 0 | 0 | 110.8 | L49 | L49-Q51 PolarHBondContact O-N 2.88Š| ||
| 52 | V | 44.6 | Very low | 45.4 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -131.1 | 128.7 | 165.2 | -71.8 | 0 | 0 | 0 | 0 | 108.7 | S50 | S50-V52 PolarHBondContact O-N 3.41Š| ||
| 53 | G | 43 | Very low | 45.5 | Very low | 57 Ų | 57 | 145.1 Ų | 145.1 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | trans | 107.4 | 80.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F55 | G53-F55 VanDerWaalsContact C-N 3.26Å; G53-F55 PolarHBondContact O-N 3.12Å | ||
| 54 | D | 50.2 | Low | 46.2 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -62.4 | 86.9 | 156.6 | -74.4 | -57.3 | 0 | 0 | 0 | 109.9 | ||||
| 55 | F | 50.5 | Low | 46.5 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -95.8 | 102.1 | 157.3 | -74.3 | -78.5 | 0 | 0 | 0 | 107.8 | G53 F57 | G53-F55 VanDerWaalsContact C-N 3.26Å; G53-F55 PolarHBondContact O-N 3.12Å; F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 HydrophobicContact CB-CD2 4Å; F55-F57 HydrophobicContact CB-CE2 3.67Å; F55-F57 WeakPolarHBondContact O-CD2 3.39Å; F55-F57 PolarHBondContact O-N 3.33Å | ||
| 56 | N | 51.7 | Low | 47.3 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -61.9 | 90.7 | 167.2 | -89.1 | -65.5 | 0 | 0 | 0 | 109.3 | ||||
| 57 | F | 46.2 | Very low | 47.7 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -83.3 | 135.4 | 161.1 | -74.2 | -83.6 | 0 | 0 | 0 | 108.5 | F55 R59 | F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 HydrophobicContact CB-CD2 4Å; F55-F57 HydrophobicContact CB-CE2 3.67Å; F55-F57 WeakPolarHBondContact O-CD2 3.39Å; F55-F57 PolarHBondContact O-N 3.33Å; F57-R59 PolarHBondContact O-N 2.95Å | ||
| 58 | P | 50.4 | Low | 48.4 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 110.5 | 174 | 26.6 | -30.8 | 0 | 0 | 0 | 108.2 | F60 | P58-F60 PolarHBondContact O-N 3.47Š| ||
| 59 | R | 52.4 | Low | 48.8 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -67.3 | 95.3 | 174.7 | -173.8 | -179.8 | -165.6 | 126.8 | 0.9 | 108.4 | F57 E61 | F57-R59 PolarHBondContact O-N 2.95Å; R59-E61 PolarHBondContact O-N 3.11Å; R59-E61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | F | 48.1 | Very low | 49.2 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -70.7 | 99.8 | 162.7 | -93.9 | -89.3 | 0 | 0 | 0 | 108.3 | P58 L62 | P58-F60 PolarHBondContact O-N 3.47Å; F60-L62 HydrophobicContact CB-CD1 4.18Å; F60-L62 PolarHBondContact O-N 3.17Å; F60-L62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | E | 50.2 | Low | 49.4 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -66 | 97.3 | 159.9 | -87 | -99.4 | 143.6 | 0 | 0 | 108 | R59 | R59-E61 PolarHBondContact O-N 3.11Å; R59-E61 VanDerWaalsContact O-N 3.12Å | ||
| 62 | L | 51.7 | Low | 49.8 | Very low | 134 Ų | 134 | 143 Ų | 143 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -82 | 130.4 | 162 | -82.3 | 98.5 | 0 | 0 | 0 | 108.5 | F60 T64 | F60-L62 HydrophobicContact CB-CD1 4.18Å; F60-L62 PolarHBondContact O-N 3.17Å; F60-L62 VanDerWaalsContact O-N 3.13Å; L62-T64 PolarHBondContact O-N 3.45Å; L62-T64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | P | 44.4 | Very low | 50.1 | Low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 120.8 | 169.9 | -17.5 | 28.7 | 0 | 0 | 0 | 108.3 | Q65 | P63-Q65 PolarHBondContact O-N 3.43Š| ||
| 64 | T | 52.1 | Low | 50.4 | Low | 138 Ų | 138 | 151.8 Ų | 151.8 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -73.3 | 69.1 | 171.3 | 10.4 | 0 | 0 | 0 | 0 | 108.7 | L62 R66 | L62-T64 PolarHBondContact O-N 3.45Å; L62-T64 VanDerWaalsContact O-N 3.1Å; T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 2.93Å | ||
| 65 | Q | 51.1 | Low | 50.7 | Low | 140 Ų | 140 | 153.1 Ų | 153.1 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 95.6 | 165 | -169 | 163.7 | -14.1 | 0 | 0 | 106.5 | P63 F67 | P63-Q65 PolarHBondContact O-N 3.43Å; Q65-F67 HydrophobicContact CB-CD2 4.43Å; Q65-F67 HydrophobicContact CB-CE2 4.15Å; Q65-F67 HydrophobicContact CG-CD2 4.18Å; Q65-F67 HydrophobicContact CG-CE2 3.8Å; Q65-F67 HydrophobicContact CG-CZ 4.18Å; Q65-F67 WeakPolarHBondContact O-CD2 3.46Å; Q65-F67 PolarHBondContact O-N 3.14Å | ||
| 66 | R | 53.2 | Low | 51 | Low | 235 Ų | 235 | 155.9 Ų | 155.9 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -62 | 89.7 | 169.8 | -72.8 | -168.4 | 174.1 | 157.6 | 0.5 | 108.5 | T64 A68 | T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 2.93Å; R66-A68 PolarHBondContact O-N 3.19Å | ||
| 67 | F | 48.8 | Very low | 50.8 | Low | 160 Ų | 160 | 152.5 Ų | 152.5 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -67.1 | 90.9 | 156.1 | -72.9 | -83.2 | 0 | 0 | 0 | 106.7 | Q65 L69 | Q65-F67 HydrophobicContact CB-CD2 4.43Å; Q65-F67 HydrophobicContact CB-CE2 4.15Å; Q65-F67 HydrophobicContact CG-CD2 4.18Å; Q65-F67 HydrophobicContact CG-CE2 3.8Å; Q65-F67 HydrophobicContact CG-CZ 4.18Å; Q65-F67 WeakPolarHBondContact O-CD2 3.46Å; Q65-F67 PolarHBondContact O-N 3.14Å; F67-L69 PolarHBondContact O-N 3.23Å | ||
| 68 | A | 51.9 | Low | 51.3 | Low | 92 Ų | 92 | 149.5 Ų | 149.5 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -65 | 92.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | R66 P70 | R66-A68 PolarHBondContact O-N 3.19Å; A68-P70 WeakPolarHBondContact O-CD 3.33Å | ||
| 69 | L | 50.7 | Low | 51.9 | Low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -61.1 | 124.8 | 166.6 | -71.4 | 173.8 | 0 | 0 | 0 | 107.3 | F67 A71 | F67-L69 PolarHBondContact O-N 3.23Å; L69-A71 PolarHBondContact O-N 2.89Å | ||
| 70 | P | 49.3 | Very low | 52.4 | Low | 87 Ų | 87 | 147.4 Ų | 147.4 | 57% | 0.565 | 75% | 0.753 | S | S | * | * | trans | -55.7 | 122.1 | 175.8 | -28.6 | 37.5 | 0 | 0 | 0 | 111.1 | A68 H72 | A68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-H72 WeakPolarHBondContact CB-CE1 3.42Å; P70-H72 VanDerWaalsContact CB-ND1 3.28Å; P70-H72 WeakPolarHBondContact CB-ND1 3.39Å; P70-H72 PolarHBondContact O-N 3.01Å | ||
| 71 | A | 49.4 | Very low | 52.7 | Low | 105 Ų | 105 | 146.8 Ų | 146.8 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -74.8 | 39.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | L69 | L69-A71 PolarHBondContact O-N 2.89Š|
| 72 | H | 55.1 | Low | 52.4 | Low | 144 Ų | 144 | 146.1 Ų | 146.1 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | -99.5 | 9.1 | 175.8 | 53.6 | -107.5 | 0 | 0 | 0 | 114.1 | P70 | P70-H72 WeakPolarHBondContact CB-CE1 3.42Å; P70-H72 VanDerWaalsContact CB-ND1 3.28Å; P70-H72 WeakPolarHBondContact CB-ND1 3.39Å; P70-H72 PolarHBondContact O-N 3.01Å | ||
| 73 | Y | 51.3 | Low | 52.7 | Low | 211 Ų | 211 | 145.3 Ų | 145.3 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -104.3 | 4.7 | -176.9 | -123.1 | -89.8 | 0 | 0 | 0 | 115.7 | ||
| 74 | L | 49.3 | Very low | 53 | Low | 170 Ų | 170 | 149.1 Ų | 149.1 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -106.7 | 6.8 | -177.2 | -112 | 141.1 | 0 | 0 | 0 | 114.6 | ||
| 75 | E | 56.2 | Low | 53.2 | Low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -101.5 | 6.4 | -173.6 | -140.6 | -174.1 | 169.8 | 0 | 0 | 115.7 | ||
| 76 | R | 56.7 | Low | 53.3 | Low | 226 Ų | 226 | 148.4 Ų | 148.4 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -150.4 | 42.1 | 176.5 | -132.3 | 95.3 | 171.5 | -162.7 | 2.5 | 114.6 | S78 | R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 3.07Å | ||
| 77 | A | 48.9 | Very low | 52.7 | Low | 92 Ų | 92 | 141.7 Ų | 141.7 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -68.4 | 102.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | A79 | A77-A79 PolarHBondContact O-N 3.08Š| ||
| 78 | S | 55.3 | Low | 52.4 | Low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -59.1 | 87.1 | 167.5 | -67.8 | 0 | 0 | 0 | 0 | 108.2 | R76 W80 | R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 3.07Å; S78-W80 PolarHBondContact O-N 3.42Å | ||
| 79 | A | 63.4 | Low | 51.8 | Low | 35 Ų | 35 | 138.5 Ų | 138.5 | 29% | 0.289 | 73% | 0.733 | S | S | . | * | trans | -69.7 | 90.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | A77 W81 Y82 | A77-A79 PolarHBondContact O-N 3.08Å; A79-W81 PolarHBondContact O-N 3.31Å; A79-Y82 HydrophobicContact CB-CD2 3.7Å; A79-Y82 HydrophobicContact CB-CE2 4.31Å; A79-Y82 PolarHBondContact O-N 3.05Å | ||
| 80 | W | 63.5 | Low | 51.3 | Low | 246 Ų | 246 | 136.3 Ų | 136.3 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -0.1 | 175.1 | 56.1 | -75.5 | 0 | 0 | 0 | 114.8 | S78 | S78-W80 PolarHBondContact O-N 3.42Š|
| 81 | W | 53.2 | Low | 50.6 | Low | 165 Ų | 165 | 140.4 Ų | 140.4 | 63% | 0.625 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 1.7 | 177.7 | 60.2 | -95.7 | 0 | 0 | 0 | 114.3 | A79 P83 | A79-W81 PolarHBondContact O-N 3.31Å; W81-P83 WeakPolarHBondContact O-CD 3.38Å |
| 82 | Y | 45.8 | Very low | 50 | Low | 141 Ų | 141 | 142 Ų | 142 | 55% | 0.553 | 73% | 0.734 | S | S | * | * | trans | -90.2 | 110.8 | 172.8 | -92.5 | -86.9 | 0 | 0 | 0 | 111.5 | A79 | A79-Y82 HydrophobicContact CB-CD2 3.7Å; A79-Y82 HydrophobicContact CB-CE2 4.31Å; A79-Y82 PolarHBondContact O-N 3.05Å | ||
| 83 | P | 57.3 | Low | 48.9 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -80.3 | 120.2 | 159.9 | 32.6 | -25.8 | 0 | 0 | 0 | 107.3 | W81 | W81-P83 WeakPolarHBondContact O-CD 3.38Š|
| 84 | Y | 50.1 | Low | 47.8 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | 73.9 | 76.6 | 174.7 | -127.6 | -94.3 | 0 | 0 | 0 | 115.4 | L86 | Y84-L86 HydrophobicContact CD1-CD1 4.32Å; Y84-L86 PolarHBondContact O-N 2.78Å | ||
| 85 | T | 56.5 | Low | 47 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | trans | -72.9 | 120.1 | 144.5 | 47 | 0 | 0 | 0 | 0 | 106.5 | S87 | T85-S87 PolarHBondContact O-N 2.8Š| ||
| 86 | L | 52.3 | Low | 45.9 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | -47.4 | 128.1 | -179.4 | -88.7 | 64.4 | 0 | 0 | 0 | 110 | Y84 A88 | Y84-L86 HydrophobicContact CD1-CD1 4.32Å; Y84-L86 PolarHBondContact O-N 2.78Å; L86-A88 PolarHBondContact O-N 3.21Å | ||
| 87 | S | 40.8 | Very low | 44.7 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | -45.4 | 113.2 | 153.2 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | T85 A89 | T85-S87 PolarHBondContact O-N 2.8Å; S87-A89 PolarHBondContact O-N 3.46Å | ||
| 88 | A | 43.7 | Very low | 44 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -66.3 | 86.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | L86 S90 | L86-A88 PolarHBondContact O-N 3.21Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 3.5Å | ||
| 89 | A | 39.5 | Very low | 42.9 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 98.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | S87 H91 | S87-A89 PolarHBondContact O-N 3.46Å; A89-H91 VanDerWaalsContact C-N 3.27Å; A89-H91 PolarHBondContact O-N 3.35Å | ||
| 90 | S | 39.5 | Very low | 41.5 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -65.9 | 91.6 | 165.7 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | A88 L92 | A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 3.5Å; S90-L92 PolarHBondContact O-N 2.99Å | ||
| 91 | H | 34.5 | Very low | 40 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -56.6 | 108.2 | 163.3 | 177.3 | -79.4 | 0 | 0 | 0 | 109 | A89 | A89-H91 VanDerWaalsContact C-N 3.27Å; A89-H91 PolarHBondContact O-N 3.35Å | ||
| 92 | L | 37.6 | Very low | 39 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | -103.3 | 141.8 | 172.9 | -89.2 | 174.2 | 0 | 0 | 0 | 110.7 | S90 | S90-L92 PolarHBondContact O-N 2.99Š| ||
| 93 | H | 31.4 | Very low | 38.5 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 80 | 110.1 | 163.2 | -77.6 | -84.7 | 0 | 0 | 0 | 120.8 | ||||
| 94 | R | 28.6 | Very low | 37.6 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -126.4 | 109.2 | 146.7 | -178 | 176.3 | -161.2 | -160.5 | 3.8 | 109.2 | E96 | R94-E96 IonicContact CZ-OE1 3.91Å; R94-E96 IonicContact NE-OE1 2.64Å; R94-E96 PolarHBondContact NE-OE1 3.46Å; R94-E96 IonicContact NH2-OE1 2.73Å; R94-E96 PolarHBondContact NH2-OE1 3.43Å | ||
| 95 | T | 32.7 | Very low | 37 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -154.2 | 131.5 | 156 | 45.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 96 | E | 31.9 | Very low | 36.1 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -101.7 | 137.9 | -166.6 | -38.1 | -158.5 | 163.7 | 0 | 0 | 111 | R94 | R94-E96 IonicContact CZ-OE1 3.91Å; R94-E96 IonicContact NE-OE1 2.64Å; R94-E96 PolarHBondContact NE-OE1 3.46Å; R94-E96 IonicContact NH2-OE1 2.73Å; R94-E96 PolarHBondContact NH2-OE1 3.43Å | ||
| 97 | V | 31.8 | Very low | 35.8 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -155.1 | 135.8 | 147.7 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 98 | A | 34.6 | Very low | 36.4 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 168.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 99 | E | 33 | Very low | 36.4 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -166.2 | 156.2 | 23.7 | -145.5 | -160.4 | 153.3 | 0 | 0 | 109.5 | ||||
| 100 | K | 32.3 | Very low | 36.7 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 81.8 | 99.3 | 143.4 | -140.1 | 145.4 | -169.4 | 158.9 | 0 | 123.8 | ||||
| 101 | A | 33.2 | Very low | 36.7 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 43.4 | 123.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 102 | R | 31.3 | Very low | 37.4 | Very low | 255 Ų | 255 | 141.6 Ų | 141.6 | 96% | 0.962 | 79% | 0.787 | S | S | * | * | -171.9 | 148.1 | 113.1 | -83.5 | -122 | 176.9 | -175.6 | -0.7 | 112.3 | |||||
| 103 | A | 35.2 | Very low | 37.9 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -62.5 | 150.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 104 | R | 38.7 | Very low | 38.8 | Very low | 244 Ų | 244 | 145.9 Ų | 145.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -173.3 | 128.5 | 122 | -135 | 166.6 | 176.2 | 152.9 | -3.8 | 112.3 | |||||
| 105 | D | 37.8 | Very low | 39.1 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -56.1 | 148.7 | 158.5 | -170.2 | 12.8 | 0 | 0 | 0 | 111.4 | ||||
| 106 | S | 38.3 | Very low | 39.7 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 163.5 | 111.5 | 147.3 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 107 | S | 44.5 | Very low | 40.8 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -71.5 | 166.3 | 148 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | P | 54.6 | Low | 41.1 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -138 | 143.1 | 137.2 | 33.9 | -19.1 | 0 | 0 | 0 | 114.7 | ||||
| 109 | T | 43.5 | Very low | 41.3 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -97.4 | 139.2 | 163.9 | 66.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 110 | S | 46.3 | Very low | 41.5 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -172.4 | 132.3 | 157.9 | -137.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 111 | G | 38.7 | Very low | 41.6 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 100.7 | 83 | 11.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 112 | T | 50.3 | Low | 41.9 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -171.6 | 110 | 158.8 | 50.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 113 | D | 47.4 | Very low | 42 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | 54.1 | 136.4 | 64 | -161.5 | -110.3 | 0 | 0 | 0 | 114.9 | |||||
| 114 | R | 49.3 | Very low | 42.2 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 107.5 | 132.5 | -179.5 | -58.1 | -128.9 | 171.9 | 150.9 | -4 | 114.5 | ||||
| 115 | D | 35.3 | Very low | 42.8 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -173.6 | 136.9 | -17.3 | -177.7 | 54.8 | 0 | 0 | 0 | 103.3 | ||||
| 116 | S | 46.2 | Very low | 42.7 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -101.6 | 147 | 176 | -150.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 117 | P | 54.6 | Low | 42.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 141.3 | 132.7 | 29.3 | -14.1 | 0 | 0 | 0 | 115.8 | ||||
| 118 | D | 38.1 | Very low | 42.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 147.9 | 170.5 | -164.3 | 12.6 | 0 | 0 | 0 | 111.1 | ||||
| 119 | L | 39.6 | Very low | 42 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -146.3 | 123.9 | 161.7 | -78.7 | -174.7 | 0 | 0 | 0 | 112.5 | ||||
| 120 | V | 36.1 | Very low | 42 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 164.5 | -179 | -179 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 121 | L | 34.3 | Very low | 42 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 106.1 | 103.4 | 156 | -55.2 | 171.9 | 0 | 0 | 0 | 114.5 | ||||
| 122 | K | 40.6 | Very low | 42.1 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | 82.2 | 119.2 | 67.5 | -167.5 | 175.5 | -174.4 | 176.4 | 0 | 112.3 | |||||
| 123 | S | 33.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 165.7 | 116.7 | 139 | -67 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 124 | D | 38.2 | Very low | 41.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -72.4 | 157.9 | 146.2 | -66.4 | -70.3 | 0 | 0 | 0 | 108.7 | ||||
| 125 | P | 51.8 | Low | 41.4 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -158.3 | -178.8 | 63.5 | 40.8 | -17.6 | 0 | 0 | 0 | 118.7 | |||||
| 126 | D | 36.2 | Very low | 41.7 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 70.1 | 133.7 | 150.2 | -135.6 | 54.4 | 0 | 0 | 0 | 118.1 | ||||
| 127 | G | 35.7 | Very low | 41.8 | Very low | 56 Ų | 56 | 139 Ų | 139 | 58% | 0.577 | 77% | 0.772 | S | S | * | * | cis | 170.1 | 176.4 | 5.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 128 | K | 47.8 | Very low | 41.4 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | 76.8 | 136.8 | 152.4 | -76.9 | -170 | -167.1 | 171.1 | 0 | 117.8 | ||||
| 129 | E | 38.6 | Very low | 41.8 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | cis | -167.2 | 170.5 | 7.6 | -40.8 | -172 | -151.5 | 0 | 0 | 108 | ||||
| 130 | D | 44.8 | Very low | 42.1 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 149.2 | 153.1 | -48.3 | -29.9 | 0 | 0 | 0 | 119.7 | ||||
| 131 | E | 45.3 | Very low | 42.7 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | cis | -170.2 | 141.6 | -35.4 | -112.4 | -114.6 | 132.6 | 0 | 0 | 103.6 | ||||
| 132 | D | 41.7 | Very low | 43.2 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | 53.5 | 149.8 | 148.1 | -131.7 | -15.8 | 0 | 0 | 0 | 123.4 | ||||
| 133 | N | 45.9 | Very low | 43.7 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 108.6 | 127.6 | 172.1 | -60.9 | -69.6 | 0 | 0 | 0 | 116 | ||||
| 134 | K | 43.5 | Very low | 44.5 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | 173.1 | 124.2 | -19.2 | 157.5 | 161.5 | -175.9 | 167.2 | 0 | 105.5 | ||||
| 135 | S | 41.5 | Very low | 45.2 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 55.4 | 133.6 | 152.7 | 68.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 136 | G | 42.4 | Very low | 45 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 156.3 | 75.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 137 | D | 48.3 | Very low | 45.5 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 118.4 | 149.2 | -98.5 | 9.7 | 0 | 0 | 0 | 123.4 | ||||
| 138 | E | 46.3 | Very low | 45.9 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 149.3 | 159.6 | -62.4 | -164.1 | 142.7 | 0 | 0 | 111.6 | ||||
| 139 | I | 46.6 | Very low | 45.5 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 92% | 0.923 | 78% | 0.782 | S | S | * | * | trans | -140.6 | 105.5 | 130.4 | 52 | 158.3 | 0 | 0 | 0 | 109.8 | ||||
| 140 | V | 45.6 | Very low | 45.9 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -110.3 | 126.5 | 160.8 | 164.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 141 | L | 47.5 | Very low | 45.8 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -172.6 | 143.5 | 150.8 | -73 | -171.4 | 0 | 0 | 0 | 106.1 | ||||
| 142 | D | 44.8 | Very low | 45.4 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | cis | -179.8 | 146 | -20.3 | -178.4 | 66.9 | 0 | 0 | 0 | 102.7 | ||||
| 143 | E | 52.1 | Low | 45.3 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -49.7 | 153.7 | 177 | 23.3 | -105 | 58.8 | 0 | 0 | 117.6 | ||||
| 144 | S | 49.3 | Very low | 44.9 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | trans | -152.8 | 142.3 | 147.8 | -98.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 145 | D | 53.5 | Low | 44.8 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -104.2 | 149.9 | -158.7 | 163.4 | 46.3 | 0 | 0 | 0 | 111.8 | ||||
| 146 | S | 47 | Very low | 44.6 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -173.9 | 135.9 | 152.8 | -88.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 147 | E | 48.2 | Very low | 44.7 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -98.8 | 166.6 | -160.1 | -47.1 | -155 | 110.9 | 0 | 0 | 116.7 | ||||
| 148 | D | 43.1 | Very low | 44.7 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | 52.2 | 121.3 | 139.4 | -136.4 | -69.1 | 0 | 0 | 0 | 122.1 | K150 | D148-K150 PolarHBondContact OD1-N 3.28Š| ||
| 149 | T | 39.4 | Very low | 44.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | -144.7 | 106.1 | 127.2 | 28.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 150 | K | 47.3 | Very low | 44.8 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 170.6 | 166.7 | -120.9 | 171.5 | -175.2 | 160.2 | 0 | 115.1 | D148 | D148-K150 PolarHBondContact OD1-N 3.28Š| ||
| 151 | K | 43.4 | Very low | 44.4 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 97.2 | 137.1 | 159.1 | -87.2 | -170.2 | 162.5 | 174.7 | 0 | 117.3 | ||||
| 152 | D | 36.7 | Very low | 44.4 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | cis | -173.4 | 156.2 | 2.7 | -177.8 | 41.4 | 0 | 0 | 0 | 110.2 | ||||
| 153 | S | 38.5 | Very low | 44.3 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 53.1 | 139.7 | 152.3 | 58 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 154 | G | 37.6 | Very low | 43.7 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 139.8 | 131.1 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 155 | V | 42.2 | Very low | 43.3 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | 70.9 | 141.9 | 148.1 | -177.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 156 | D | 37.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | cis | -156.4 | 165.9 | 2.7 | -155.3 | -118.2 | 0 | 0 | 0 | 106.3 | ||||
| 157 | D | 43.8 | Very low | 43.3 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 156.8 | 132.3 | 114.6 | -139.3 | -56.5 | 0 | 0 | 0 | 113.2 | |||||
| 158 | R | 49.3 | Very low | 43.7 | Very low | 218 Ų | 218 | 153.3 Ų | 153.3 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -81.5 | 144.8 | -171.3 | -70.1 | 163.2 | 157.7 | 172.9 | -5 | 110.5 | ||||
| 159 | K | 49.8 | Very low | 44.1 | Very low | 209 Ų | 209 | 152 Ų | 152 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 108.7 | 137.1 | -129.5 | 162.7 | -176.3 | 166.3 | 0 | 115.7 | ||||
| 160 | K | 43.8 | Very low | 45 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -29.8 | 132.4 | 152 | -165.9 | 176.7 | -172.6 | 179.6 | 0 | 114.3 | ||||
| 161 | N | 37.9 | Very low | 45.8 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -149 | 96.3 | 142.5 | -99.7 | -22.8 | 0 | 0 | 0 | 108.3 | ||||
| 162 | E | 47.8 | Very low | 46.9 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -78.7 | 156.6 | 154.6 | -73.7 | 172 | 134.3 | 0 | 0 | 108.5 | ||||
| 163 | D | 41.7 | Very low | 48.7 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 94.3 | 100 | 170.3 | -155.4 | 30.1 | 0 | 0 | 0 | 116.6 | ||||
| 164 | S | 39.3 | Very low | 50.6 | Low | 106 Ų | 106 | 161.4 Ų | 161.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 179.9 | 108.2 | 131 | -77.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 165 | D | 41.3 | Very low | 52.7 | Low | 134 Ų | 134 | 164.6 Ų | 164.6 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | trans | 62 | 110.9 | 150.4 | -74.4 | -49 | 0 | 0 | 0 | 120.1 | K167 | D165-K167 PolarHBondContact O-N 2.86Š| ||
| 166 | E | 49.2 | Very low | 54.9 | Low | 191 Ų | 191 | 168.4 Ų | 168.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -52.4 | 73.3 | 150.5 | -66.3 | -169.4 | 137.9 | 0 | 0 | 112.1 | K168 | E166-K168 VanDerWaalsContact C-N 3.32Å; E166-K168 PolarHBondContact O-N 3.45Å | ||
| 167 | K | 52.2 | Low | 57.4 | Low | 177 Ų | 177 | 167.2 Ų | 167.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -74.9 | 95.3 | 159.5 | -75.8 | 179.1 | -176.8 | 163.6 | 0 | 106.9 | D165 A169 | D165-K167 PolarHBondContact O-N 2.86Å; K167-A169 VanDerWaalsContact C-N 3.27Å; K167-A169 PolarHBondContact O-N 3.3Å | ||
| 168 | K | 55.2 | Low | 59.8 | Low | 200 Ų | 200 | 166.7 Ų | 166.7 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -38.3 | 96.6 | 160.6 | -70 | -176.6 | -179.8 | 177.7 | 0 | 108.5 | E166 C170 | E166-K168 VanDerWaalsContact C-N 3.32Å; E166-K168 PolarHBondContact O-N 3.45Å; K168-C170 PolarHBondContact O-N 2.87Å | ||
| 169 | A | 52.6 | Low | 62.1 | Low | 89 Ų | 89 | 158.7 Ų | 158.7 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -71.6 | 83.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | K167 R171 | K167-A169 VanDerWaalsContact C-N 3.27Å; K167-A169 PolarHBondContact O-N 3.3Å; A169-R171 PolarHBondContact O-N 2.88Å | ||
| 170 | C | 58.9 | Low | 64.5 | Low | 112 Ų | 112 | 151.4 Ų | 151.4 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -47 | 109.2 | 158.6 | -177.1 | 0 | 0 | 0 | 0 | 105.2 | K168 K172 | K168-C170 PolarHBondContact O-N 2.87Å; C170-K172 VanDerWaalsContact C-N 3.27Å; C170-K172 PolarHBondContact O-N 3.04Å | ||
| 171 | R | 62.5 | Low | 67 | Low | 237 Ų | 237 | 153.8 Ų | 153.8 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -59 | 93.6 | -173.8 | -65.8 | -177.9 | -175.4 | -169.1 | 1.4 | 107.4 | A169 K173 | A169-R171 PolarHBondContact O-N 2.88Å; R171-K173 PolarHBondContact O-N 3.37Å | ||
| 172 | K | 67.4 | Low | 69.9 | Low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -59.1 | 112.4 | -179.3 | -65.8 | 179.9 | -177.7 | 176.1 | 0 | 106.6 | C170 K174 | C170-K172 VanDerWaalsContact C-N 3.27Å; C170-K172 PolarHBondContact O-N 3.04Å; K172-K174 PolarHBondContact O-N 3.02Å; K172-K174 VanDerWaalsContact O-N 3.08Å | ||
| 173 | K | 74.9 | Confident | 72.4 | Confident | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -53.7 | 118.7 | 174 | -69.3 | 175.4 | 178.7 | 174.2 | 0 | 107 | R171 T175 | R171-K173 PolarHBondContact O-N 3.37Å; K173-T175 PolarHBondContact O-N 3.1Å | ||
| 174 | K | 78 | Confident | 75.1 | Confident | 206 Ų | 206 | 138 Ų | 138 | 90% | 0.896 | 68% | 0.684 | S | S | * | * | trans | -62.1 | 112.2 | 177.7 | -71.6 | 169.9 | 168.9 | 177.8 | 0 | 107.8 | K172 R176 | K172-K174 PolarHBondContact O-N 3.02Å; K172-K174 VanDerWaalsContact O-N 3.08Å; K174-R176 PolarHBondContact O-N 2.8Å | ||
| 175 | T | 82.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.9 | 173.4 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | K173 T177 | K173-T175 PolarHBondContact O-N 3.1Å; T175-T177 PolarHBondContact O-N 3.43Å |
| 176 | R | 88.6 | Confident | 80.6 | Confident | 227 Ų | 227 | 136.6 Ų | 136.6 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 125 | 179.9 | -172.3 | 178.3 | -178.9 | -152.2 | 0.6 | 109.7 | K174 | K174-R176 PolarHBondContact O-N 2.8Š|
| 177 | T | 88.6 | Confident | 83 | Confident | 98 Ų | 98 | 127.5 Ų | 127.5 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 141.1 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | T175 | T175-T177 PolarHBondContact O-N 3.43Š|
| 178 | V | 95.2 | Very high | 85.2 | Confident | 134 Ų | 134 | 121.8 Ų | 121.8 | 81% | 0.812 | 59% | 0.593 | S | S | * | * | trans | -111.2 | 136.8 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 179 | F | 97.8 | Very high | 87.3 | Confident | 50 Ų | 50 | 114.9 Ų | 114.9 | 22% | 0.219 | 57% | 0.57 | C | S | . | * | trans | -79.4 | 147.7 | 176.3 | -58.2 | -38 | 0 | 0 | 0 | 111.2 | Q183 V184 L187 L211 Q215 W219 | F179-Q183 HydrophobicContact CB-CB 4.26Å; F179-V184 HydrophobicContact CB-CG2 4Å; F179-L187 HydrophobicContact CD2-CD1 4.35Å; F179-L211 HydrophobicContact CD1-CD1 4.36Å; F179-L211 HydrophobicContact CD1-CD2 3.83Å; F179-L211 HydrophobicContact CE1-CD1 4.3Å; F179-L211 HydrophobicContact CE1-CD2 3.76Å; F179-Q215 HydrophobicContact CE1-CB 4.36Å; F179-Q215 HydrophobicContact CE1-CG 4.39Å; F179-Q215 HydrophobicContact CZ-CB 3.96Å; F179-Q215 HydrophobicContact CZ-CG 4.26Å; F179-W219 AromaticContact CD2-CD1 3.72Å; F179-W219 HydrophobicContact CE2-CB 4.24Å; F179-W219 AromaticContact CE2-CD1 3.63Å; F179-W219 HydrophobicContact CE2-CG 4.27Å | ||
| 180 | S | 98.4 | Very high | 89.4 | Confident | 57 Ų | 57 | 112.4 Ų | 112.4 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | trans | -66.8 | 160.8 | 176.1 | 83.7 | 0 | 0 | 0 | 0 | 111.3 | S182 Q183 V184 | S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 2.97Å; S180-Q183 PolarHBondContact O-N 3.06Å; S180-Q183 WeakPolarHBondContact OG-CG 3.21Å; S180-Q183 PolarHBondContact OG-N 3.4Å; S180-V184 WeakPolarHBondContact O-CG2 3.43Å; S180-V184 PolarHBondContact O-N 2.94Å | ||
| 181 | R | 98.3 | Very high | 91.3 | Very high | 209 Ų | 209 | 107.1 Ų | 107.1 | 79% | 0.789 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 179.1 | -173.6 | 61.9 | 177.6 | -165.3 | 3.2 | 112.4 | V184 F185 | R181-V184 PolarHBondContact O-N 3.25Å; R181-F185 WeakPolarHBondContact O-CB 3.36Å; R181-F185 PolarHBondContact O-N 3.05Å |
| 182 | S | 98.4 | Very high | 93 | Very high | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | S180 V184 F185 Q186 | S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 2.97Å; S182-V184 PolarHBondContact O-N 2.93Å; S182-F185 PolarHBondContact O-N 2.83Å; S182-Q186 PolarHBondContact O-N 3.38Å; S182-Q186 VanDerWaalsContact O-N 3.12Å |
| 183 | Q | 98.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 99.2 Ų | 99.2 | 18% | 0.178 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.3 | -73.6 | 171.6 | -29.1 | 0 | 0 | 111.3 | F179 S180 F185 Q186 L187 L209 | F179-Q183 HydrophobicContact CB-CB 4.26Å; S180-Q183 PolarHBondContact O-N 3.06Å; S180-Q183 WeakPolarHBondContact OG-CG 3.21Å; S180-Q183 PolarHBondContact OG-N 3.4Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 2.91Å; Q183-Q186 PolarHBondContact O-N 3.33Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 WeakPolarHBondContact O-CD1 3.41Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 2.84Å; Q183-L209 HydrophobicContact CG-CB 4.46Å; Q183-L209 PolarHBondContact NE2-O 3.37Å |
| 184 | V | 98.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 93.7 Ų | 93.7 | 20% | 0.2 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 178 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F179 S180 R181 S182 Q186 L187 E188 | F179-V184 HydrophobicContact CB-CG2 4Å; S180-V184 WeakPolarHBondContact O-CG2 3.43Å; S180-V184 PolarHBondContact O-N 2.94Å; R181-V184 PolarHBondContact O-N 3.25Å; S182-V184 PolarHBondContact O-N 2.93Å; V184-Q186 PolarHBondContact O-N 2.78Å; V184-L187 PolarHBondContact O-N 3Å; V184-E188 HydrophobicContact CG1-CG 4.22Å; V184-E188 WeakPolarHBondContact O-CB 3.44Å; V184-E188 WeakPolarHBondContact O-CG 3.29Å; V184-E188 PolarHBondContact O-N 2.96Å |
| 185 | F | 98.6 | Very high | 96.6 | Very high | 137 Ų | 137 | 88.9 Ų | 88.9 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 179.5 | 175.3 | -100 | 0 | 0 | 0 | 112.5 | R181 S182 Q183 E188 S189 | R181-F185 WeakPolarHBondContact O-CB 3.36Å; R181-F185 PolarHBondContact O-N 3.05Å; S182-F185 PolarHBondContact O-N 2.83Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 2.91Å; F185-E188 PolarHBondContact O-N 2.96Å; F185-S189 WeakPolarHBondContact O-CB 3.41Å; F185-S189 PolarHBondContact O-N 2.89Å |
| 186 | Q | 98.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 89.8 Ų | 89.8 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 178.8 | -69.9 | -177.2 | 74.1 | 0 | 0 | 112.4 | S182 Q183 V184 E188 T190 L209 | S182-Q186 PolarHBondContact O-N 3.38Å; S182-Q186 VanDerWaalsContact O-N 3.12Å; Q183-Q186 PolarHBondContact O-N 3.33Å; V184-Q186 PolarHBondContact O-N 2.78Å; Q186-E188 VanDerWaalsContact C-N 3.35Å; Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 PolarHBondContact O-N 3.25Å; Q186-T190 PolarHBondContact O-OG1 2.89Å; Q186-L209 HydrophobicContact CB-CD1 4.39Å; Q186-L209 HydrophobicContact CB-CD2 3.71Å; Q186-L209 HydrophobicContact CG-CD2 4.12Å |
| 187 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173 | -72.3 | 165.4 | 0 | 0 | 0 | 111.6 | F179 Q183 V184 F191 L205 L209 L211 V216 W219 F220 | F179-L187 HydrophobicContact CD2-CD1 4.35Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 WeakPolarHBondContact O-CD1 3.41Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 2.84Å; V184-L187 PolarHBondContact O-N 3Å; L187-F191 WeakPolarHBondContact O-CB 3.21Å; L187-F191 PolarHBondContact O-N 3.43Å; L187-L205 HydrophobicContact CD2-CD2 3.93Å; L187-L209 HydrophobicContact CD1-CD1 4.42Å; L187-L209 HydrophobicContact CD2-CD1 3.78Å; L187-L209 HydrophobicContact CG-CD1 3.68Å; L187-L211 HydrophobicContact CD1-CD1 4.27Å; L187-V216 HydrophobicContact CD2-CG1 4.28Å; L187-W219 VanDerWaalsContact C-CH2 3.49Å; L187-W219 HydrophobicContact CB-CD2 3.92Å; L187-W219 HydrophobicContact CB-CE3 3.88Å; L187-W219 HydrophobicContact CB-CH2 3.63Å; L187-W219 HydrophobicContact CB-CZ2 3.65Å; L187-W219 HydrophobicContact CB-CZ3 3.74Å; L187-W219 HydrophobicContact CD1-CD2 3.87Å; L187-W219 HydrophobicContact CD1-CG 3.88Å; L187-W219 HydrophobicContact CD2-CD2 4.32Å; L187-W219 HydrophobicContact CD2-CE3 4.2Å; L187-W219 HydrophobicContact CG-CD2 4.27Å; L187-W219 HydrophobicContact CG-CE3 4.42Å; L187-W219 WeakPolarHBondContact O-CZ3 3.31Å; L187-F220 HydrophobicContact CD2-CE2 4.03Å |
| 188 | E | 98.7 | Very high | 98.3 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 176.6 | -72.3 | -172.3 | 144.7 | 0 | 0 | 111.8 | V184 F185 Q186 T190 F191 D192 W219 R223 | V184-E188 HydrophobicContact CG1-CG 4.22Å; V184-E188 WeakPolarHBondContact O-CB 3.44Å; V184-E188 WeakPolarHBondContact O-CG 3.29Å; V184-E188 PolarHBondContact O-N 2.96Å; F185-E188 PolarHBondContact O-N 2.96Å; Q186-E188 VanDerWaalsContact C-N 3.35Å; E188-T190 VanDerWaalsContact C-N 3.3Å; E188-T190 PolarHBondContact O-N 2.92Å; E188-F191 WeakPolarHBondContact O-CA 3.49Å; E188-F191 WeakPolarHBondContact O-CB 3.27Å; E188-F191 PolarHBondContact O-N 3.36Å; E188-D192 PolarHBondContact O-N 3.09Å; E188-W219 HydrophobicContact CB-CH2 4.45Å; E188-W219 HydrophobicContact CG-CH2 3.73Å; E188-W219 HydrophobicContact CG-CZ2 3.74Å; E188-R223 IonicContact OE1-CZ 3.36Å; E188-R223 IonicContact OE1-NH1 2.78Å; E188-R223 PolarHBondContact OE1-NH1 3.42Å; E188-R223 IonicContact OE1-NH2 2.75Å |
| 189 | S | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 177 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | F185 F191 D192 M193 | F185-S189 WeakPolarHBondContact O-CB 3.41Å; F185-S189 PolarHBondContact O-N 2.89Å; S189-F191 VanDerWaalsContact C-N 3.33Å; S189-F191 PolarHBondContact O-N 2.97Å; S189-D192 PolarHBondContact O-N 3.38Å; S189-M193 PolarHBondContact O-N 3.14Å |
| 190 | T | 98.5 | Very high | 98.5 | Very high | 36 Ų | 36 | 78.4 Ų | 78.4 | 22% | 0.221 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66 | -37.4 | 176.5 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | Q186 E188 D192 M193 K194 L197 L205 F220 | Q186-T190 WeakPolarHBondContact O-CB 3.49Å; Q186-T190 PolarHBondContact O-N 3.25Å; Q186-T190 PolarHBondContact O-OG1 2.89Å; E188-T190 VanDerWaalsContact C-N 3.3Å; E188-T190 PolarHBondContact O-N 2.92Å; T190-D192 VanDerWaalsContact C-N 3.35Å; T190-M193 PolarHBondContact O-N 3.34Å; T190-K194 PolarHBondContact O-N 2.97Å; T190-L197 HydrophobicContact CG2-CD1 4.44Å; T190-L197 HydrophobicContact CG2-CD2 4.12Å; T190-L205 HydrophobicContact CG2-CD2 4.09Å; T190-F220 HydrophobicContact CG2-CZ 4.23Å |
| 191 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 79.3 Ų | 79.3 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 178.8 | -179.1 | -93.2 | 0 | 0 | 0 | 112.7 | L187 E188 S189 M193 K194 R195 W219 F220 R223 R224 W227 | L187-F191 WeakPolarHBondContact O-CB 3.21Å; L187-F191 PolarHBondContact O-N 3.43Å; E188-F191 WeakPolarHBondContact O-CA 3.49Å; E188-F191 WeakPolarHBondContact O-CB 3.27Å; E188-F191 PolarHBondContact O-N 3.36Å; S189-F191 VanDerWaalsContact C-N 3.33Å; S189-F191 PolarHBondContact O-N 2.97Å; F191-M193 PolarHBondContact O-N 3.02Å; F191-K194 CarbonylContact O-C 3.28Å; F191-K194 VanDerWaalsContact O-C 3.28Å; F191-K194 PolarHBondContact O-N 3.03Å; F191-R195 HydrophobicContact CE1-CG 4.22Å; F191-R195 HydrophobicContact CE2-CB 4.08Å; F191-R195 HydrophobicContact CE2-CG 4.14Å; F191-R195 HydrophobicContact CZ-CB 4.25Å; F191-R195 HydrophobicContact CZ-CG 3.85Å; F191-W219 HydrophobicContact CB-CH2 4.42Å; F191-W219 HydrophobicContact CB-CZ3 4.15Å; F191-F220 HydrophobicContact CB-CE1 4.18Å; F191-F220 HydrophobicContact CB-CZ 4.36Å; F191-F220 AromaticContact CD2-CD1 3.88Å; F191-F220 HydrophobicContact CD2-CD1 3.88Å; F191-F220 AromaticContact CD2-CE1 3.84Å; F191-F220 HydrophobicContact CD2-CE1 3.84Å; F191-R223 HydrophobicContact CB-CG 4.46Å; F191-R223 HydrophobicContact CD1-CG 3.72Å; F191-R223 HydrophobicContact CD2-CB 4.17Å; F191-R223 HydrophobicContact CD2-CG 3.55Å; F191-R223 HydrophobicContact CE1-CG 3.74Å; F191-R223 HydrophobicContact CE2-CB 4.1Å; F191-R223 HydrophobicContact CE2-CG 3.59Å; F191-R223 HydrophobicContact CG-CG 3.62Å; F191-R223 HydrophobicContact CZ-CG 3.68Å; F191-R224 HydrophobicContact CE2-CG 3.77Å; F191-R224 HydrophobicContact CZ-CG 4.23Å; F191-W227 HydrophobicContact CE1-CD2 4.39Å; F191-W227 AromaticContact CE1-CE3 3.8Å; F191-W227 HydrophobicContact CE1-CE3 3.8Å; F191-W227 HydrophobicContact CE1-CZ3 4.41Å; F191-W227 HydrophobicContact CZ-CB 4.46Å; F191-W227 HydrophobicContact CZ-CE3 4.48Å |
| 192 | D | 98.4 | Very high | 98.5 | Very high | 101 Ų | 101 | 71.9 Ų | 71.9 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -34 | 178 | -66.6 | -19.8 | 0 | 0 | 0 | 111.1 | E188 S189 T190 | E188-D192 PolarHBondContact O-N 3.09Å; S189-D192 PolarHBondContact O-N 3.38Å; T190-D192 VanDerWaalsContact C-N 3.35Å |
| 193 | M | 98.2 | Very high | 98.5 | Very high | 163 Ų | 163 | 70.3 Ų | 70.3 | 80% | 0.803 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.5 | -46.8 | 171 | -62.6 | 176.4 | 64.3 | 0 | 0 | 112.3 | S189 T190 F191 | S189-M193 PolarHBondContact O-N 3.14Å; T190-M193 PolarHBondContact O-N 3.34Å; F191-M193 PolarHBondContact O-N 3.02Å |
| 194 | K | 98.1 | Very high | 98.5 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | trans | -145 | 115.3 | -174.1 | -159 | -177.9 | -172.5 | -178.9 | 0 | 112.2 | T190 F191 Y196 L197 E201 F220 | T190-K194 PolarHBondContact O-N 2.97Å; F191-K194 CarbonylContact O-C 3.28Å; F191-K194 VanDerWaalsContact O-C 3.28Å; F191-K194 PolarHBondContact O-N 3.03Å; K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 WeakPolarHBondContact CD-O 3.48Å; K194-Y196 WeakPolarHBondContact CE-O 3.5Å; K194-Y196 VanDerWaalsContact CG-O 3.27Å; K194-Y196 WeakPolarHBondContact CG-O 3.28Å; K194-Y196 PolarHBondContact O-N 3.41Å; K194-L197 HydrophobicContact CB-CD2 4.22Å; K194-L197 HydrophobicContact CD-CD2 4.13Å; K194-L197 HydrophobicContact CG-CD2 4.48Å; K194-E201 IonicContact NZ-OE1 3.61Å; K194-E201 PolarHBondContact NZ-OE1 3.25Å; K194-E201 IonicContact NZ-OE2 3.23Å; K194-E201 PolarHBondContact NZ-OE2 3.38Å; K194-F220 WeakPolarHBondContact O-CE1 3.22Å | ||
| 195 | R | 98.1 | Very high | 98.5 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -70.8 | -19.4 | -178.2 | -67 | 179.2 | 172.2 | 74.8 | 4 | 114.3 | F191 R224 | F191-R195 HydrophobicContact CE1-CG 4.22Å; F191-R195 HydrophobicContact CE2-CB 4.08Å; F191-R195 HydrophobicContact CE2-CG 4.14Å; F191-R195 HydrophobicContact CZ-CB 4.25Å; F191-R195 HydrophobicContact CZ-CG 3.85Å; R195-R224 WeakPolarHBondContact O-CD 3.42Å |
| 196 | Y | 98.4 | Very high | 98.5 | Very high | 148 Ų | 148 | 63.7 Ų | 63.7 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -136.3 | 122.3 | -177.4 | -66.1 | -102.3 | 0 | 0 | 0 | 109.8 | K194 | K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 WeakPolarHBondContact CD-O 3.48Å; K194-Y196 WeakPolarHBondContact CE-O 3.5Å; K194-Y196 VanDerWaalsContact CG-O 3.27Å; K194-Y196 WeakPolarHBondContact CG-O 3.28Å; K194-Y196 PolarHBondContact O-N 3.41Å |
| 197 | L | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | trans | -98.6 | 139.8 | 178.2 | -58.9 | -175.7 | 0 | 0 | 0 | 111.6 | T190 K194 E201 R202 L205 V216 F220 | T190-L197 HydrophobicContact CG2-CD1 4.44Å; T190-L197 HydrophobicContact CG2-CD2 4.12Å; K194-L197 HydrophobicContact CB-CD2 4.22Å; K194-L197 HydrophobicContact CD-CD2 4.13Å; K194-L197 HydrophobicContact CG-CD2 4.48Å; L197-E201 WeakPolarHBondContact CA-OE2 3.37Å; L197-E201 HydrophobicContact CB-CB 4.14Å; L197-E201 HydrophobicContact CD2-CB 4.31Å; L197-R202 PolarHBondContact O-NH2 3.46Å; L197-L205 HydrophobicContact CD1-CD2 3.86Å; L197-V216 HydrophobicContact CD1-CG1 4.4Å; L197-F220 HydrophobicContact CD1-CD1 4.37Å; L197-F220 HydrophobicContact CD1-CD2 4.16Å; L197-F220 HydrophobicContact CD1-CE1 3.81Å; L197-F220 HydrophobicContact CD1-CE2 3.58Å; L197-F220 HydrophobicContact CD1-CZ 3.39Å; L197-F220 HydrophobicContact CD2-CE1 4.15Å; L197-F220 HydrophobicContact CD2-CZ 4.28Å; L197-F220 HydrophobicContact CG-CD1 4.09Å; L197-F220 HydrophobicContact CG-CE1 3.62Å; L197-F220 HydrophobicContact CG-CE2 4.3Å; L197-F220 HydrophobicContact CG-CZ 3.75Å | ||
| 198 | S | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 66.8 Ų | 66.8 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -66.8 | 171.4 | 166.6 | 80.4 | 0 | 0 | 0 | 0 | 110.9 | E201 R202 | S198-E201 WeakPolarHBondContact CB-OE2 3.4Å; S198-E201 PolarHBondContact N-OE2 2.85Å; S198-E201 VanDerWaalsContact OG-CG 3.31Å; S198-E201 WeakPolarHBondContact OG-CG 3.47Å; S198-E201 PolarHBondContact OG-N 3.45Å; S198-E201 PolarHBondContact OG-OE2 3.4Å; S198-R202 WeakPolarHBondContact O-CB 3.21Å; S198-R202 PolarHBondContact O-N 3.36Å; S198-R202 VanDerWaalsContact O-N 3.08Å | ||
| 199 | S | 98.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 178.1 | -150.6 | 0 | 0 | 0 | 0 | 111.5 | R202 A203 | S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.4Å; S199-A203 PolarHBondContact O-N 3.17Å |
| 200 | T | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 69.9 Ų | 69.9 | 73% | 0.73 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | -179.6 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | R202 A203 G204 | T200-R202 VanDerWaalsContact C-N 3.28Å; T200-R202 PolarHBondContact O-N 3.37Å; T200-A203 PolarHBondContact O-N 2.86Å; T200-G204 PolarHBondContact O-N 2.83Å |
| 201 | E | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 177.1 | -70.3 | 169.5 | 152.1 | 0 | 0 | 111.4 | K194 L197 S198 G204 L205 | K194-E201 IonicContact NZ-OE1 3.61Å; K194-E201 PolarHBondContact NZ-OE1 3.25Å; K194-E201 IonicContact NZ-OE2 3.23Å; K194-E201 PolarHBondContact NZ-OE2 3.38Å; L197-E201 WeakPolarHBondContact CA-OE2 3.37Å; L197-E201 HydrophobicContact CB-CB 4.14Å; L197-E201 HydrophobicContact CD2-CB 4.31Å; S198-E201 WeakPolarHBondContact CB-OE2 3.4Å; S198-E201 PolarHBondContact N-OE2 2.85Å; S198-E201 VanDerWaalsContact OG-CG 3.31Å; S198-E201 WeakPolarHBondContact OG-CG 3.47Å; S198-E201 PolarHBondContact OG-N 3.45Å; S198-E201 PolarHBondContact OG-OE2 3.4Å; E201-G204 PolarHBondContact O-N 3.02Å; E201-L205 PolarHBondContact O-N 2.91Å |
| 202 | R | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177 | -166 | -172.6 | -50.8 | 126.2 | 8.1 | 111.8 | L197 S198 S199 T200 G204 L205 A206 E213 V216 | L197-R202 PolarHBondContact O-NH2 3.46Å; S198-R202 WeakPolarHBondContact O-CB 3.21Å; S198-R202 PolarHBondContact O-N 3.36Å; S198-R202 VanDerWaalsContact O-N 3.08Å; S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.4Å; T200-R202 VanDerWaalsContact C-N 3.28Å; T200-R202 PolarHBondContact O-N 3.37Å; R202-G204 VanDerWaalsContact C-N 3.34Å; R202-L205 PolarHBondContact O-N 3.39Å; R202-A206 WeakPolarHBondContact O-CB 3.37Å; R202-A206 PolarHBondContact O-N 3.37Å; R202-E213 WeakPolarHBondContact CD-O 3.36Å; R202-E213 HydrophobicContact CG-CB 4.43Å; R202-V216 HydrophobicContact CG-CB 3.89Å; R202-V216 HydrophobicContact CG-CG1 3.73Å |
| 203 | A | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 72 Ų | 72 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S199 T200 A206 A207 E213 | S199-A203 PolarHBondContact O-N 3.17Å; T200-A203 PolarHBondContact O-N 2.86Å; A203-A206 PolarHBondContact O-N 2.9Å; A203-A207 WeakPolarHBondContact O-CB 3.5Å; A203-A207 PolarHBondContact O-N 3.19Å; A203-E213 HydrophobicContact CB-CG 4.44Å |
| 204 | G | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T200 E201 R202 A207 S208 | T200-G204 PolarHBondContact O-N 2.83Å; E201-G204 PolarHBondContact O-N 3.02Å; R202-G204 VanDerWaalsContact C-N 3.34Å; G204-A207 PolarHBondContact O-N 3.29Å; G204-S208 PolarHBondContact O-N 3.43Å; G204-S208 VanDerWaalsContact O-N 3.14Å |
| 205 | L | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 178.5 | -170.5 | 63.6 | 0 | 0 | 0 | 112.8 | L187 T190 L197 E201 R202 S208 L209 V216 F220 | L187-L205 HydrophobicContact CD2-CD2 3.93Å; T190-L205 HydrophobicContact CG2-CD2 4.09Å; L197-L205 HydrophobicContact CD1-CD2 3.86Å; E201-L205 PolarHBondContact O-N 2.91Å; R202-L205 PolarHBondContact O-N 3.39Å; L205-S208 PolarHBondContact O-OG 3.28Å; L205-S208 VanDerWaalsContact O-OG 3.1Å; L205-L209 HydrophobicContact CD1-CD1 3.87Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 3.93Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 2.9Å; L205-L209 VanDerWaalsContact O-N 3.17Å; L205-V216 HydrophobicContact CD2-CG1 4.05Å; L205-F220 HydrophobicContact CD2-CE2 3.93Å; L205-F220 HydrophobicContact CD2-CZ 4.31Å |
| 206 | A | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | R202 A203 L209 H210 L211 E213 V216 | R202-A206 WeakPolarHBondContact O-CB 3.37Å; R202-A206 PolarHBondContact O-N 3.37Å; A203-A206 PolarHBondContact O-N 2.9Å; A206-L209 PolarHBondContact O-N 3.49Å; A206-H210 PolarHBondContact O-N 2.98Å; A206-H210 VanDerWaalsContact O-N 3.11Å; A206-L211 CarbonylContact C-O 3.52Å; A206-L211 WeakPolarHBondContact CB-O 3.36Å; A206-L211 PolarHBondContact O-N 3.01Å; A206-L211 VanDerWaalsContact O-O 3.13Å; A206-E213 HydrophobicContact CB-CG 4.08Å; A206-V216 HydrophobicContact CB-CG2 4.02Å |
| 207 | A | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A203 G204 L209 H210 | A203-A207 WeakPolarHBondContact O-CB 3.5Å; A203-A207 PolarHBondContact O-N 3.19Å; G204-A207 PolarHBondContact O-N 3.29Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 PolarHBondContact O-N 2.81Å; A207-H210 PolarHBondContact O-N 3.35Å |
| 208 | S | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.7 | -29.3 | -179 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | G204 L205 | G204-S208 PolarHBondContact O-N 3.43Å; G204-S208 VanDerWaalsContact O-N 3.14Å; L205-S208 PolarHBondContact O-OG 3.28Å; L205-S208 VanDerWaalsContact O-OG 3.1Å |
| 209 | L | 98.2 | Very high | 98.5 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -96.4 | -1.2 | -178.3 | -60.6 | -176.1 | 0 | 0 | 0 | 114.2 | Q183 Q186 L187 L205 A206 A207 L211 | Q183-L209 HydrophobicContact CG-CB 4.46Å; Q183-L209 PolarHBondContact NE2-O 3.37Å; Q186-L209 HydrophobicContact CB-CD1 4.39Å; Q186-L209 HydrophobicContact CB-CD2 3.71Å; Q186-L209 HydrophobicContact CG-CD2 4.12Å; L187-L209 HydrophobicContact CD1-CD1 4.42Å; L187-L209 HydrophobicContact CD2-CD1 3.78Å; L187-L209 HydrophobicContact CG-CD1 3.68Å; L205-L209 HydrophobicContact CD1-CD1 3.87Å; L205-L209 HydrophobicContact CD1-CG 4.16Å; L205-L209 HydrophobicContact CG-CD1 3.93Å; L205-L209 HydrophobicContact CG-CG 4.44Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 VanDerWaalsContact O-CG 3.29Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 2.9Å; L205-L209 VanDerWaalsContact O-N 3.17Å; A206-L209 PolarHBondContact O-N 3.49Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 PolarHBondContact O-N 2.81Å; L209-L211 VanDerWaalsContact C-N 3.26Å; L209-L211 HydrophobicContact CB-CD1 4.07Å; L209-L211 HydrophobicContact CB-CG 4.02Å; L209-L211 HydrophobicContact CD1-CD1 4.36Å; L209-L211 PolarHBondContact O-N 3.39Å |
| 210 | H | 98.3 | Very high | 98.5 | Very high | 174 Ų | 174 | 60.1 Ų | 60.1 | 81% | 0.806 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.2 | -170.8 | -54 | -65.1 | 0 | 0 | 0 | 112.6 | A206 A207 | A206-H210 PolarHBondContact O-N 2.98Å; A206-H210 VanDerWaalsContact O-N 3.11Å; A207-H210 PolarHBondContact O-N 3.35Å |
| 211 | L | 98 | Very high | 98.5 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | trans | -115.8 | 163.7 | 175.6 | -64 | 179.7 | 0 | 0 | 0 | 109.8 | F179 L187 A206 L209 Q215 V216 | F179-L211 HydrophobicContact CD1-CD1 4.36Å; F179-L211 HydrophobicContact CD1-CD2 3.83Å; F179-L211 HydrophobicContact CE1-CD1 4.3Å; F179-L211 HydrophobicContact CE1-CD2 3.76Å; L187-L211 HydrophobicContact CD1-CD1 4.27Å; A206-L211 CarbonylContact C-O 3.52Å; A206-L211 WeakPolarHBondContact CB-O 3.36Å; A206-L211 PolarHBondContact O-N 3.01Å; A206-L211 VanDerWaalsContact O-O 3.13Å; L209-L211 VanDerWaalsContact C-N 3.26Å; L209-L211 HydrophobicContact CB-CD1 4.07Å; L209-L211 HydrophobicContact CB-CG 4.02Å; L209-L211 HydrophobicContact CD1-CD1 4.36Å; L209-L211 PolarHBondContact O-N 3.39Å; L211-Q215 HydrophobicContact CB-CB 4.41Å; L211-V216 HydrophobicContact CB-CG2 4.22Å | ||
| 212 | T | 98.5 | Very high | 98.5 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | trans | -82.1 | 151 | 169.8 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | T214 Q215 V216 | T212-T214 PolarHBondContact O-N 3.45Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T212-Q215 WeakPolarHBondContact O-CB 3.49Å; T212-Q215 PolarHBondContact O-N 3.43Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q215 PolarHBondContact OG1-N 3.47Å; T212-Q215 PolarHBondContact OG1-OE1 3.28Å; T212-V216 PolarHBondContact O-N 2.87Å; T212-V216 VanDerWaalsContact O-N 3.09Å | ||
| 213 | E | 98.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.3 | -36.8 | 173.4 | -74.5 | -172.5 | -127.2 | 0 | 0 | 112.2 | R202 A203 A206 V216 K217 | R202-E213 WeakPolarHBondContact CD-O 3.36Å; R202-E213 HydrophobicContact CG-CB 4.43Å; A203-E213 HydrophobicContact CB-CG 4.44Å; A206-E213 HydrophobicContact CB-CG 4.08Å; E213-V216 PolarHBondContact O-N 2.77Å; E213-K217 WeakPolarHBondContact O-CB 3.46Å; E213-K217 PolarHBondContact O-N 3.25Å |
| 214 | T | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.3 | -50.8 | 0 | 0 | 0 | 0 | 112 | T212 K217 I218 | T212-T214 PolarHBondContact O-N 3.45Å; T212-T214 VanDerWaalsContact O-N 3.14Å; T214-K217 WeakPolarHBondContact O-CB 3.46Å; T214-K217 PolarHBondContact O-N 3.25Å; T214-I218 HydrophobicContact CG2-CD1 3.91Å; T214-I218 HydrophobicContact CG2-CG1 4.44Å; T214-I218 WeakPolarHBondContact O-CB 3.38Å; T214-I218 VanDerWaalsContact O-CG1 3.28Å; T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 3.08Å |
| 215 | Q | 98.2 | Very high | 98.5 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.9 | -76.4 | 170.3 | -34.2 | 0 | 0 | 111.3 | F179 L211 T212 I218 W219 | F179-Q215 HydrophobicContact CE1-CB 4.36Å; F179-Q215 HydrophobicContact CE1-CG 4.39Å; F179-Q215 HydrophobicContact CZ-CB 3.96Å; F179-Q215 HydrophobicContact CZ-CG 4.26Å; L211-Q215 HydrophobicContact CB-CB 4.41Å; T212-Q215 WeakPolarHBondContact O-CB 3.49Å; T212-Q215 PolarHBondContact O-N 3.43Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.27Å; T212-Q215 PolarHBondContact OG1-N 3.47Å; T212-Q215 PolarHBondContact OG1-OE1 3.28Å; Q215-I218 PolarHBondContact O-N 3.3Å; Q215-W219 WeakPolarHBondContact O-CB 3.49Å; Q215-W219 PolarHBondContact O-N 3.38Å |
| 216 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L187 L197 R202 L205 A206 L211 T212 E213 I218 W219 F220 | L187-V216 HydrophobicContact CD2-CG1 4.28Å; L197-V216 HydrophobicContact CD1-CG1 4.4Å; R202-V216 HydrophobicContact CG-CB 3.89Å; R202-V216 HydrophobicContact CG-CG1 3.73Å; L205-V216 HydrophobicContact CD2-CG1 4.05Å; A206-V216 HydrophobicContact CB-CG2 4.02Å; L211-V216 HydrophobicContact CB-CG2 4.22Å; T212-V216 PolarHBondContact O-N 2.87Å; T212-V216 VanDerWaalsContact O-N 3.09Å; E213-V216 PolarHBondContact O-N 2.77Å; V216-I218 PolarHBondContact O-N 2.73Å; V216-W219 PolarHBondContact O-N 3.34Å; V216-F220 HydrophobicContact CG1-CD2 3.82Å; V216-F220 HydrophobicContact CG1-CE2 3.96Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 3.3Å |
| 217 | K | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 67 Ų | 67 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.4 | -49 | 176 | 179.9 | 179.9 | 176.2 | 178.7 | 0 | 111.8 | E213 T214 F220 Q221 | E213-K217 WeakPolarHBondContact O-CB 3.46Å; E213-K217 PolarHBondContact O-N 3.25Å; T214-K217 WeakPolarHBondContact O-CB 3.46Å; T214-K217 PolarHBondContact O-N 3.25Å; K217-F220 PolarHBondContact O-N 3.46Å; K217-Q221 WeakPolarHBondContact O-CB 3.21Å; K217-Q221 PolarHBondContact O-N 2.71Å |
| 218 | I | 98.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 179.4 | -69.8 | 168.4 | 0 | 0 | 0 | 110.4 | T214 Q215 V216 Q221 N222 | T214-I218 HydrophobicContact CG2-CD1 3.91Å; T214-I218 HydrophobicContact CG2-CG1 4.44Å; T214-I218 WeakPolarHBondContact O-CB 3.38Å; T214-I218 VanDerWaalsContact O-CG1 3.28Å; T214-I218 WeakPolarHBondContact O-CG1 3.38Å; T214-I218 PolarHBondContact O-N 3.08Å; Q215-I218 PolarHBondContact O-N 3.3Å; V216-I218 PolarHBondContact O-N 2.73Å; I218-Q221 PolarHBondContact O-N 3.44Å; I218-N222 WeakPolarHBondContact O-CB 3.28Å; I218-N222 VanDerWaalsContact O-CG 3.29Å; I218-N222 PolarHBondContact O-N 3.23Å; I218-N222 PolarHBondContact O-ND2 2.83Å |
| 219 | W | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 74.9 Ų | 74.9 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 178.5 | -170.1 | 96.8 | 0 | 0 | 0 | 111.4 | F179 L187 E188 F191 Q215 V216 Q221 N222 R223 | F179-W219 AromaticContact CD2-CD1 3.72Å; F179-W219 HydrophobicContact CE2-CB 4.24Å; F179-W219 AromaticContact CE2-CD1 3.63Å; F179-W219 HydrophobicContact CE2-CG 4.27Å; L187-W219 VanDerWaalsContact C-CH2 3.49Å; L187-W219 HydrophobicContact CB-CD2 3.92Å; L187-W219 HydrophobicContact CB-CE3 3.88Å; L187-W219 HydrophobicContact CB-CH2 3.63Å; L187-W219 HydrophobicContact CB-CZ2 3.65Å; L187-W219 HydrophobicContact CB-CZ3 3.74Å; L187-W219 HydrophobicContact CD1-CD2 3.87Å; L187-W219 HydrophobicContact CD1-CG 3.88Å; L187-W219 HydrophobicContact CD2-CD2 4.32Å; L187-W219 HydrophobicContact CD2-CE3 4.2Å; L187-W219 HydrophobicContact CG-CD2 4.27Å; L187-W219 HydrophobicContact CG-CE3 4.42Å; L187-W219 WeakPolarHBondContact O-CZ3 3.31Å; E188-W219 HydrophobicContact CB-CH2 4.45Å; E188-W219 HydrophobicContact CG-CH2 3.73Å; E188-W219 HydrophobicContact CG-CZ2 3.74Å; F191-W219 HydrophobicContact CB-CH2 4.42Å; F191-W219 HydrophobicContact CB-CZ3 4.15Å; Q215-W219 WeakPolarHBondContact O-CB 3.49Å; Q215-W219 PolarHBondContact O-N 3.38Å; V216-W219 PolarHBondContact O-N 3.34Å; W219-Q221 VanDerWaalsContact C-N 3.31Å; W219-Q221 PolarHBondContact O-N 2.86Å; W219-N222 PolarHBondContact O-N 3.1Å; W219-R223 HydrophobicContact CE3-CB 4.07Å; W219-R223 HydrophobicContact CH2-CB 4.12Å; W219-R223 HydrophobicContact CH2-CG 3.87Å; W219-R223 HydrophobicContact CZ3-CB 3.78Å; W219-R223 HydrophobicContact CZ3-CG 3.85Å; W219-R223 WeakPolarHBondContact O-CB 3.39Å; W219-R223 PolarHBondContact O-N 3.08Å |
| 220 | F | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 78.3 Ų | 78.3 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 176.8 | -91.9 | -101.8 | 0 | 0 | 0 | 112.5 | L187 T190 F191 K194 L197 L205 V216 K217 R223 R224 | L187-F220 HydrophobicContact CD2-CE2 4.03Å; T190-F220 HydrophobicContact CG2-CZ 4.23Å; F191-F220 HydrophobicContact CB-CE1 4.18Å; F191-F220 HydrophobicContact CB-CZ 4.36Å; F191-F220 AromaticContact CD2-CD1 3.88Å; F191-F220 HydrophobicContact CD2-CD1 3.88Å; F191-F220 AromaticContact CD2-CE1 3.84Å; F191-F220 HydrophobicContact CD2-CE1 3.84Å; K194-F220 WeakPolarHBondContact O-CE1 3.22Å; L197-F220 HydrophobicContact CD1-CD1 4.37Å; L197-F220 HydrophobicContact CD1-CD2 4.16Å; L197-F220 HydrophobicContact CD1-CE1 3.81Å; L197-F220 HydrophobicContact CD1-CE2 3.58Å; L197-F220 HydrophobicContact CD1-CZ 3.39Å; L197-F220 HydrophobicContact CD2-CE1 4.15Å; L197-F220 HydrophobicContact CD2-CZ 4.28Å; L197-F220 HydrophobicContact CG-CD1 4.09Å; L197-F220 HydrophobicContact CG-CE1 3.62Å; L197-F220 HydrophobicContact CG-CE2 4.3Å; L197-F220 HydrophobicContact CG-CZ 3.75Å; L205-F220 HydrophobicContact CD2-CE2 3.93Å; L205-F220 HydrophobicContact CD2-CZ 4.31Å; V216-F220 HydrophobicContact CG1-CD2 3.82Å; V216-F220 HydrophobicContact CG1-CE2 3.96Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 3.3Å; K217-F220 PolarHBondContact O-N 3.46Å; F220-R223 PolarHBondContact O-N 2.94Å; F220-R224 WeakPolarHBondContact O-CG 3.2Å; F220-R224 PolarHBondContact O-N 3.03Å; F220-R224 PolarHBondContact O-NE 3.05Å |
| 221 | Q | 98.7 | Very high | 97.7 | Very high | 79 Ų | 79 | 74.2 Ų | 74.2 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 174.2 | -172.1 | 60.7 | 62.7 | 0 | 0 | 111.5 | K217 I218 W219 R223 N225 | K217-Q221 WeakPolarHBondContact O-CB 3.21Å; K217-Q221 PolarHBondContact O-N 2.71Å; I218-Q221 PolarHBondContact O-N 3.44Å; W219-Q221 VanDerWaalsContact C-N 3.31Å; W219-Q221 PolarHBondContact O-N 2.86Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; Q221-N225 PolarHBondContact NE2-ND2 3.29Å; Q221-N225 VanDerWaalsContact NE2-ND2 3.18Å; Q221-N225 PolarHBondContact O-N 2.94Å; Q221-N225 VanDerWaalsContact O-N 3.08Å; Q221-N225 PolarHBondContact O-ND2 3.08Å |
| 222 | N | 98.4 | Very high | 97.4 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.9 | -72.2 | -22.8 | 0 | 0 | 0 | 111.5 | I218 W219 N225 K226 | I218-N222 WeakPolarHBondContact O-CB 3.28Å; I218-N222 VanDerWaalsContact O-CG 3.29Å; I218-N222 PolarHBondContact O-N 3.23Å; I218-N222 PolarHBondContact O-ND2 2.83Å; W219-N222 PolarHBondContact O-N 3.1Å; N222-N225 PolarHBondContact O-N 3.44Å; N222-K226 PolarHBondContact O-N 3.18Å |
| 223 | R | 98.5 | Very high | 97 | Very high | 40 Ų | 40 | 75 Ų | 75 | 15% | 0.151 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 178.2 | -174.2 | 62.8 | -176.5 | -163.1 | -0.2 | 111.7 | E188 F191 W219 F220 Q221 N225 K226 W227 | E188-R223 IonicContact OE1-CZ 3.36Å; E188-R223 IonicContact OE1-NH1 2.78Å; E188-R223 PolarHBondContact OE1-NH1 3.42Å; E188-R223 IonicContact OE1-NH2 2.75Å; F191-R223 HydrophobicContact CB-CG 4.46Å; F191-R223 HydrophobicContact CD1-CG 3.72Å; F191-R223 HydrophobicContact CD2-CB 4.17Å; F191-R223 HydrophobicContact CD2-CG 3.55Å; F191-R223 HydrophobicContact CE1-CG 3.74Å; F191-R223 HydrophobicContact CE2-CB 4.1Å; F191-R223 HydrophobicContact CE2-CG 3.59Å; F191-R223 HydrophobicContact CG-CG 3.62Å; F191-R223 HydrophobicContact CZ-CG 3.68Å; W219-R223 HydrophobicContact CE3-CB 4.07Å; W219-R223 HydrophobicContact CH2-CB 4.12Å; W219-R223 HydrophobicContact CH2-CG 3.87Å; W219-R223 HydrophobicContact CZ3-CB 3.78Å; W219-R223 HydrophobicContact CZ3-CG 3.85Å; W219-R223 WeakPolarHBondContact O-CB 3.39Å; W219-R223 PolarHBondContact O-N 3.08Å; F220-R223 PolarHBondContact O-N 2.94Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; R223-N225 VanDerWaalsContact C-N 3.34Å; R223-N225 PolarHBondContact O-N 3.31Å; R223-K226 PolarHBondContact O-N 2.64Å; R223-W227 WeakPolarHBondContact O-CB 3.43Å; R223-W227 PolarHBondContact O-N 3.14Å |
| 224 | R | 98.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 77 Ų | 77 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 174.1 | -74.5 | -177.6 | -76.8 | 142.1 | -1.2 | 112.7 | F191 R195 F220 W227 K228 | F191-R224 HydrophobicContact CE2-CG 3.77Å; F191-R224 HydrophobicContact CZ-CG 4.23Å; R195-R224 WeakPolarHBondContact O-CD 3.42Å; F220-R224 WeakPolarHBondContact O-CG 3.2Å; F220-R224 PolarHBondContact O-N 3.03Å; F220-R224 PolarHBondContact O-NE 3.05Å; R224-W227 PolarHBondContact O-N 2.8Å; R224-K228 WeakPolarHBondContact O-CB 3.39Å; R224-K228 PolarHBondContact O-N 2.96Å |
| 225 | N | 98.3 | Very high | 96 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.8 | -82 | -67 | 0 | 0 | 0 | 112.2 | Q221 N222 R223 K228 R229 | Q221-N225 PolarHBondContact NE2-ND2 3.29Å; Q221-N225 VanDerWaalsContact NE2-ND2 3.18Å; Q221-N225 PolarHBondContact O-N 2.94Å; Q221-N225 VanDerWaalsContact O-N 3.08Å; Q221-N225 PolarHBondContact O-ND2 3.08Å; N222-N225 PolarHBondContact O-N 3.44Å; R223-N225 VanDerWaalsContact C-N 3.34Å; R223-N225 PolarHBondContact O-N 3.31Å; N225-K228 PolarHBondContact O-N 3.04Å; N225-R229 WeakPolarHBondContact O-CG 3.44Å; N225-R229 PolarHBondContact O-N 3.41Å; N225-R229 VanDerWaalsContact O-N 3.1Å |
| 226 | K | 97.7 | Very high | 95.3 | Very high | 104 Ų | 104 | 81.1 Ų | 81.1 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.8 | -174.8 | -177.9 | 176.9 | -173.9 | 0 | 110.9 | N222 R223 K228 R229 Q230 | N222-K226 PolarHBondContact O-N 3.18Å; R223-K226 PolarHBondContact O-N 2.64Å; K226-K228 PolarHBondContact O-N 3.48Å; K226-R229 PolarHBondContact O-N 3.43Å; K226-R229 VanDerWaalsContact O-N 3.14Å; K226-Q230 WeakPolarHBondContact O-CG 3.34Å; K226-Q230 PolarHBondContact O-N 3.18Å |
| 227 | W | 96.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 84 Ų | 84 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.8 | -50 | 176.6 | 179.9 | -77.6 | 0 | 0 | 0 | 111.9 | F191 R223 R224 R229 Q230 L231 | F191-W227 HydrophobicContact CE1-CD2 4.39Å; F191-W227 AromaticContact CE1-CE3 3.8Å; F191-W227 HydrophobicContact CE1-CE3 3.8Å; F191-W227 HydrophobicContact CE1-CZ3 4.41Å; F191-W227 HydrophobicContact CZ-CB 4.46Å; F191-W227 HydrophobicContact CZ-CE3 4.48Å; R223-W227 WeakPolarHBondContact O-CB 3.43Å; R223-W227 PolarHBondContact O-N 3.14Å; R224-W227 PolarHBondContact O-N 2.8Å; W227-R229 VanDerWaalsContact C-N 3.28Å; W227-R229 PolarHBondContact O-N 3.44Å; W227-Q230 WeakPolarHBondContact O-CB 3.47Å; W227-Q230 PolarHBondContact O-N 3.36Å; W227-Q230 VanDerWaalsContact O-N 3.08Å; W227-L231 VanDerWaalsContact NE1-CD1 3.29Å; W227-L231 PolarHBondContact O-N 3.29Å |
| 228 | K | 96.8 | Very high | 93.8 | Very high | 137 Ų | 137 | 80.3 Ų | 80.3 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.5 | -40.4 | 178.2 | -174.6 | 176.1 | 64.1 | 173.3 | 0 | 112.1 | R224 N225 K226 A232 | R224-K228 WeakPolarHBondContact O-CB 3.39Å; R224-K228 PolarHBondContact O-N 2.96Å; N225-K228 PolarHBondContact O-N 3.04Å; K226-K228 PolarHBondContact O-N 3.48Å; K228-A232 PolarHBondContact O-N 3.13Å; K228-A232 VanDerWaalsContact O-N 3.11Å |
| 229 | R | 95.9 | Very high | 92.8 | Very high | 168 Ų | 168 | 79.9 Ų | 79.9 | 63% | 0.634 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.5 | -36 | 176.3 | -69.9 | -176.5 | -168.6 | 109.8 | -2.7 | 112.5 | N225 K226 W227 A232 A233 | N225-R229 WeakPolarHBondContact O-CG 3.44Å; N225-R229 PolarHBondContact O-N 3.41Å; N225-R229 VanDerWaalsContact O-N 3.1Å; K226-R229 PolarHBondContact O-N 3.43Å; K226-R229 VanDerWaalsContact O-N 3.14Å; W227-R229 VanDerWaalsContact C-N 3.28Å; W227-R229 PolarHBondContact O-N 3.44Å; R229-A232 PolarHBondContact O-N 2.93Å; R229-A233 WeakPolarHBondContact O-CB 3.38Å; R229-A233 PolarHBondContact O-N 3.3Å |
| 230 | Q | 94.4 | Very high | 91.7 | Very high | 77 Ų | 77 | 84.3 Ų | 84.3 | 36% | 0.36 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.1 | -72.3 | 170.4 | -49.3 | 0 | 0 | 110.8 | K226 W227 A232 A233 E234 | K226-Q230 WeakPolarHBondContact O-CG 3.34Å; K226-Q230 PolarHBondContact O-N 3.18Å; W227-Q230 WeakPolarHBondContact O-CB 3.47Å; W227-Q230 PolarHBondContact O-N 3.36Å; W227-Q230 VanDerWaalsContact O-N 3.08Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 3.45Å; Q230-A233 PolarHBondContact O-N 3.18Å; Q230-E234 WeakPolarHBondContact O-CG 3.46Å; Q230-E234 PolarHBondContact O-N 2.92Å |
| 231 | L | 92.4 | Very high | 90.5 | Very high | 87 Ų | 87 | 87.3 Ų | 87.3 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.4 | -64.3 | -173.6 | 0 | 0 | 0 | 112.8 | W227 E234 L235 | W227-L231 VanDerWaalsContact NE1-CD1 3.29Å; W227-L231 PolarHBondContact O-N 3.29Å; L231-E234 PolarHBondContact O-N 3.38Å; L231-L235 PolarHBondContact O-N 3.11Å |
| 232 | A | 91.7 | Very high | 88.8 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K228 R229 Q230 L235 E236 | K228-A232 PolarHBondContact O-N 3.13Å; K228-A232 VanDerWaalsContact O-N 3.11Å; R229-A232 PolarHBondContact O-N 2.93Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-A232 PolarHBondContact O-N 3.45Å; A232-L235 PolarHBondContact O-N 3.06Å; A232-E236 WeakPolarHBondContact O-CG 3.11Å; A232-E236 PolarHBondContact O-N 2.97Å; A232-E236 VanDerWaalsContact O-N 3.13Å |
| 233 | A | 91.5 | Very high | 87.3 | Confident | 59 Ų | 59 | 86.8 Ų | 86.8 | 49% | 0.488 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | R229 Q230 E236 A237 | R229-A233 WeakPolarHBondContact O-CB 3.38Å; R229-A233 PolarHBondContact O-N 3.3Å; Q230-A233 PolarHBondContact O-N 3.18Å; A233-E236 PolarHBondContact O-N 3.48Å; A233-A237 WeakPolarHBondContact O-CB 3.34Å; A233-A237 PolarHBondContact O-N 2.92Å |
| 234 | E | 88.9 | Confident | 85.6 | Confident | 128 Ų | 128 | 87.6 Ų | 87.6 | 60% | 0.598 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 175.5 | -75.1 | 172.3 | -176.6 | 0 | 0 | 111.9 | Q230 L231 A237 A238 | Q230-E234 WeakPolarHBondContact O-CG 3.46Å; Q230-E234 PolarHBondContact O-N 2.92Å; L231-E234 PolarHBondContact O-N 3.38Å; E234-A237 PolarHBondContact O-N 2.96Å; E234-A238 WeakPolarHBondContact O-CB 3.46Å; E234-A238 PolarHBondContact O-N 3.48Å |
| 235 | L | 86.1 | Confident | 83.8 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 175.4 | -176 | 65.7 | 0 | 0 | 0 | 112 | L231 A232 A237 A238 N239 | L231-L235 PolarHBondContact O-N 3.11Å; A232-L235 PolarHBondContact O-N 3.06Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.03Å; L235-A238 PolarHBondContact O-N 3.48Å; L235-N239 PolarHBondContact O-N 3.44Å; L235-N239 PolarHBondContact O-ND2 2.75Å |
| 236 | E | 84.3 | Confident | 82 | Confident | 124 Ų | 124 | 93.3 Ų | 93.3 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 177.3 | -68.9 | -58 | 120.7 | 0 | 0 | 112.1 | A232 A233 N239 L240 | A232-E236 WeakPolarHBondContact O-CG 3.11Å; A232-E236 PolarHBondContact O-N 2.97Å; A232-E236 VanDerWaalsContact O-N 3.13Å; A233-E236 PolarHBondContact O-N 3.48Å; E236-N239 PolarHBondContact O-N 3.23Å; E236-L240 WeakPolarHBondContact O-CB 3.44Å; E236-L240 PolarHBondContact O-N 3.45Å |
| 237 | A | 83.9 | Confident | 80.3 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A233 E234 L235 L240 S241 | A233-A237 WeakPolarHBondContact O-CB 3.34Å; A233-A237 PolarHBondContact O-N 2.92Å; E234-A237 PolarHBondContact O-N 2.96Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.03Å; A237-L240 PolarHBondContact O-N 3.36Å; A237-S241 PolarHBondContact O-N 2.95Å |
| 238 | A | 81.3 | Confident | 78.4 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E234 L235 L240 S241 H242 | E234-A238 WeakPolarHBondContact O-CB 3.46Å; E234-A238 PolarHBondContact O-N 3.48Å; L235-A238 PolarHBondContact O-N 3.48Å; A238-L240 PolarHBondContact O-N 3.2Å; A238-S241 PolarHBondContact O-N 3.05Å; A238-S241 PolarHBondContact O-OG 2.68Å; A238-H242 PolarHBondContact O-N 3.3Å |
| 239 | N | 77.6 | Confident | 76.4 | Confident | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.6 | -75.8 | -26 | 0 | 0 | 0 | 112.5 | L235 E236 S241 H242 A243 | L235-N239 PolarHBondContact O-N 3.44Å; L235-N239 PolarHBondContact O-ND2 2.75Å; E236-N239 PolarHBondContact O-N 3.23Å; N239-S241 VanDerWaalsContact C-N 3.32Å; N239-S241 PolarHBondContact O-N 2.91Å; N239-H242 PolarHBondContact O-N 2.86Å; N239-A243 WeakPolarHBondContact O-CB 3.33Å; N239-A243 PolarHBondContact O-N 3.25Å |
| 240 | L | 75.6 | Confident | 74.8 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -37.5 | 178.4 | -169.3 | 63 | 0 | 0 | 0 | 111.7 | E236 A237 A238 A243 A244 | E236-L240 WeakPolarHBondContact O-CB 3.44Å; E236-L240 PolarHBondContact O-N 3.45Å; A237-L240 PolarHBondContact O-N 3.36Å; A238-L240 PolarHBondContact O-N 3.2Å; L240-A243 PolarHBondContact O-N 3.36Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.94Å |
| 241 | S | 72.5 | Confident | 73.2 | Confident | 72 Ų | 72 | 102.9 Ų | 102.9 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -40 | 174.5 | 76.3 | 0 | 0 | 0 | 0 | 112.3 | A237 A238 N239 A245 | A237-S241 PolarHBondContact O-N 2.95Å; A238-S241 PolarHBondContact O-N 3.05Å; A238-S241 PolarHBondContact O-OG 2.68Å; N239-S241 VanDerWaalsContact C-N 3.32Å; N239-S241 PolarHBondContact O-N 2.91Å; S241-A245 PolarHBondContact O-N 3.42Å |
| 242 | H | 64.2 | Low | 71.9 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 59% | 0.593 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.1 | -41.1 | 176.6 | -120.3 | 78.7 | 0 | 0 | 0 | 112.2 | A238 N239 A245 Q246 | A238-H242 PolarHBondContact O-N 3.3Å; N239-H242 PolarHBondContact O-N 2.86Å; H242-A245 PolarHBondContact O-N 3.18Å; H242-Q246 WeakPolarHBondContact O-CG 3.39Å; H242-Q246 PolarHBondContact O-N 3.31Å |
| 243 | A | 66.8 | Low | 70.6 | Confident | 38 Ų | 38 | 106.8 Ų | 106.8 | 31% | 0.314 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -33.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N239 L240 R247 | N239-A243 WeakPolarHBondContact O-CB 3.33Å; N239-A243 PolarHBondContact O-N 3.25Å; L240-A243 PolarHBondContact O-N 3.36Å; A243-R247 WeakPolarHBondContact O-CG 3.43Å; A243-R247 PolarHBondContact O-N 3.42Å |
| 244 | A | 63.1 | Low | 69.4 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L240 | L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.94Å |
| 245 | A | 60.7 | Low | 67.8 | Low | 75 Ų | 75 | 114.7 Ų | 114.7 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S241 H242 | S241-A245 PolarHBondContact O-N 3.42Å; H242-A245 PolarHBondContact O-N 3.18Å |
| 246 | Q | 60.6 | Low | 66.4 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -81.8 | -11.5 | -179.1 | -68.3 | 178 | 0.8 | 0 | 0 | 114.4 | H242 | H242-Q246 WeakPolarHBondContact O-CG 3.39Å; H242-Q246 PolarHBondContact O-N 3.31Å |
| 247 | R | 60.1 | Low | 64.8 | Low | 210 Ų | 210 | 119.1 Ų | 119.1 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -4.2 | -178.1 | -79.4 | -171.2 | 132.8 | 94.5 | 4.5 | 115.1 | A243 V249 | A243-R247 WeakPolarHBondContact O-CG 3.43Å; A243-R247 PolarHBondContact O-N 3.42Å; R247-V249 PolarHBondContact O-N 3.22Å |
| 248 | I | 57.5 | Low | 62.8 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | trans | -97.6 | 62.3 | 179.5 | -46.1 | 177.4 | 0 | 0 | 0 | 109.7 | R250 | I248-R250 HydrophobicContact CG2-CG 4.43Å; I248-R250 VanDerWaalsContact CG2-NH1 3.3Å | ||
| 249 | V | 55.5 | Low | 61 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -101.1 | 92.6 | 154.8 | -177 | 0 | 0 | 0 | 0 | 105.6 | R247 V251 | R247-V249 PolarHBondContact O-N 3.22Å; V249-V251 VanDerWaalsContact C-N 3.34Å; V249-V251 PolarHBondContact O-N 3.1Å | ||
| 250 | R | 61.4 | Low | 59.6 | Low | 212 Ų | 212 | 125.5 Ų | 125.5 | 80% | 0.8 | 67% | 0.667 | S | S | * | * | trans | -68.4 | 97.3 | 170.4 | -73.2 | -175.1 | 171.2 | 85.5 | 0.5 | 106.9 | I248 P252 | I248-R250 HydrophobicContact CG2-CG 4.43Å; I248-R250 VanDerWaalsContact CG2-NH1 3.3Å; R250-P252 VanDerWaalsContact O-CD 3.31Å; R250-P252 WeakPolarHBondContact O-CD 3.49Å | ||
| 251 | V | 61.8 | Low | 58.1 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -63.4 | 121.1 | 168.6 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | V249 I253 | V249-V251 VanDerWaalsContact C-N 3.34Å; V249-V251 PolarHBondContact O-N 3.1Å; V251-I253 PolarHBondContact O-N 2.99Å; V251-I253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | P | 65.1 | Low | 56.8 | Low | 106 Ų | 106 | 129.9 Ų | 129.9 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | trans | -60.4 | 116.9 | 173 | -20.5 | 32.8 | 0 | 0 | 0 | 108.6 | R250 L254 | R250-P252 VanDerWaalsContact O-CD 3.31Å; R250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-L254 VanDerWaalsContact C-N 3.33Å; P252-L254 PolarHBondContact O-N 3.31Å | ||
| 253 | I | 63.8 | Low | 55.8 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | trans | -70 | 97.3 | 169.7 | -58.9 | 174.3 | 0 | 0 | 0 | 105.6 | V251 Y255 | V251-I253 PolarHBondContact O-N 2.99Å; V251-I253 VanDerWaalsContact O-N 3.1Å; I253-Y255 VanDerWaalsContact C-N 3.35Å; I253-Y255 HydrophobicContact CB-CD2 4.45Å; I253-Y255 HydrophobicContact CB-CE2 3.91Å; I253-Y255 HydrophobicContact CG2-CD1 4.16Å; I253-Y255 HydrophobicContact CG2-CD2 3.99Å; I253-Y255 HydrophobicContact CG2-CE1 3.85Å; I253-Y255 HydrophobicContact CG2-CE2 3.65Å; I253-Y255 HydrophobicContact CG2-CG 4.22Å; I253-Y255 VanDerWaalsContact O-CD2 3.22Å; I253-Y255 WeakPolarHBondContact O-CD2 3.22Å; I253-Y255 WeakPolarHBondContact O-CE2 3.31Å; I253-Y255 PolarHBondContact O-N 3.41Å; I253-Y255 VanDerWaalsContact O-N 3.09Å | ||
| 254 | L | 66.4 | Low | 54.6 | Low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -72.4 | 96.3 | 166.6 | -68.5 | 174.3 | 0 | 0 | 0 | 106.8 | P252 H256 | P252-L254 VanDerWaalsContact C-N 3.33Å; P252-L254 PolarHBondContact O-N 3.31Å; L254-H256 PolarHBondContact O-N 3.26Å | ||
| 255 | Y | 54.8 | Low | 53.4 | Low | 194 Ų | 194 | 137.4 Ų | 137.4 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | -65.5 | 116.7 | 166 | -59.1 | -92.1 | 0 | 0 | 0 | 107.1 | I253 E257 | I253-Y255 VanDerWaalsContact C-N 3.35Å; I253-Y255 HydrophobicContact CB-CD2 4.45Å; I253-Y255 HydrophobicContact CB-CE2 3.91Å; I253-Y255 HydrophobicContact CG2-CD1 4.16Å; I253-Y255 HydrophobicContact CG2-CD2 3.99Å; I253-Y255 HydrophobicContact CG2-CE1 3.85Å; I253-Y255 HydrophobicContact CG2-CE2 3.65Å; I253-Y255 HydrophobicContact CG2-CG 4.22Å; I253-Y255 VanDerWaalsContact O-CD2 3.22Å; I253-Y255 WeakPolarHBondContact O-CD2 3.22Å; I253-Y255 WeakPolarHBondContact O-CE2 3.31Å; I253-Y255 PolarHBondContact O-N 3.41Å; I253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-E257 PolarHBondContact O-N 3.09Å | ||
| 256 | H | 56.4 | Low | 52.4 | Low | 156 Ų | 156 | 137.6 Ų | 137.6 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | -77 | 114.2 | 164.2 | 63.8 | 89.7 | 0 | 0 | 0 | 107.3 | L254 N258 | L254-H256 PolarHBondContact O-N 3.26Å; H256-N258 PolarHBondContact ND1-OD1 3.41Å; H256-N258 PolarHBondContact O-N 2.97Å | ||
| 257 | E | 50.8 | Low | 51.7 | Low | 165 Ų | 165 | 137.6 Ų | 137.6 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -72.6 | 109.3 | 166.8 | 180 | -141.4 | 131.2 | 0 | 0 | 107.4 | Y255 S259 | Y255-E257 PolarHBondContact O-N 3.09Å; E257-S259 PolarHBondContact O-N 3.42Å; E257-S259 VanDerWaalsContact O-N 3.14Å | ||
| 258 | N | 42.3 | Very low | 50.8 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -79.7 | 91.3 | 168.8 | -110.9 | 67 | 0 | 0 | 0 | 108.2 | H256 A260 | H256-N258 PolarHBondContact ND1-OD1 3.41Å; H256-N258 PolarHBondContact O-N 2.97Å; N258-A260 PolarHBondContact O-N 3.18Å | ||
| 259 | S | 43.6 | Very low | 50.2 | Low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 76% | 0.761 | S | S | * | * | trans | -64.1 | 100.1 | 160.9 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | E257 S261 | E257-S259 PolarHBondContact O-N 3.42Å; E257-S259 VanDerWaalsContact O-N 3.14Å; S259-S261 PolarHBondContact O-N 3.04Å | ||
| 260 | A | 48.6 | Very low | 49.9 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | trans | -63.2 | 112.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | N258 | N258-A260 PolarHBondContact O-N 3.18Š| ||
| 261 | S | 43.1 | Very low | 49.4 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -131.2 | 117.1 | 155.2 | 52.3 | 0 | 0 | 0 | 0 | 107.8 | S259 | S259-S261 PolarHBondContact O-N 3.04Š| ||
| 262 | E | 47 | Very low | 48.7 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 131.5 | 169.2 | -66.3 | 177.6 | 124.4 | 0 | 0 | 109.2 | ||||
| 263 | T | 43.3 | Very low | 48.1 | Very low | 145 Ų | 145 | 129 Ų | 129 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | 166.3 | 132.8 | 120.7 | 33.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 264 | G | 40.6 | Very low | 47.3 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 95.7 | 98.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 265 | N | 37.5 | Very low | 46.3 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 132.7 | 137.5 | -81.9 | 18.5 | 0 | 0 | 0 | 123.1 | ||||
| 266 | A | 40.6 | Very low | 45.9 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 112.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 267 | T | 44.6 | Very low | 45.7 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 47.7 | 116.4 | 136 | 56.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 268 | G | 42.9 | Very low | 45.6 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 138.2 | 121.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 269 | N | 43.1 | Very low | 45.7 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 69.2 | 103.7 | 148.2 | -63 | 2.6 | 0 | 0 | 0 | 118.6 | ||||
| 270 | V | 49.6 | Very low | 46.3 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -102.6 | 116.2 | 153.4 | -154.7 | 0 | 0 | 0 | 0 | 107.5 | V272 | V270-V272 HydrophobicContact CG1-CG2 4.27Š| ||
| 271 | P | 51.6 | Low | 46 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -89.1 | 102.8 | 153.3 | 30.9 | -23.3 | 0 | 0 | 0 | 107.3 | S273 | P271-S273 PolarHBondContact O-N 3.14Š| ||
| 272 | V | 46.8 | Very low | 46.4 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -65.8 | 101.2 | 160.5 | 162 | 0 | 0 | 0 | 0 | 106.7 | V270 Q274 | V270-V272 HydrophobicContact CG1-CG2 4.27Å; V272-Q274 HydrophobicContact CG1-CG 4.33Å; V272-Q274 PolarHBondContact O-N 3.21Å; V272-Q274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | S | 52 | Low | 46.4 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -68.6 | 102.7 | 166.2 | -53 | 0 | 0 | 0 | 0 | 107.9 | P271 S275 | P271-S273 PolarHBondContact O-N 3.14Å; S273-S275 PolarHBondContact O-N 3.24Å | ||
| 274 | Q | 48.1 | Very low | 46.6 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -67 | 118.6 | 167.9 | -65.6 | -174.1 | 9 | 0 | 0 | 108.5 | V272 L276 | V272-Q274 HydrophobicContact CG1-CG 4.33Å; V272-Q274 PolarHBondContact O-N 3.21Å; V272-Q274 VanDerWaalsContact O-N 3.13Å; Q274-L276 PolarHBondContact O-N 3.26Å | ||
| 275 | S | 45.2 | Very low | 46.7 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 98.7 | 162.1 | -75.9 | 0 | 0 | 0 | 0 | 108.6 | S273 L277 | S273-S275 PolarHBondContact O-N 3.24Å; S275-L277 VanDerWaalsContact C-N 3.32Å; S275-L277 PolarHBondContact O-N 3.42Å | ||
| 276 | L | 46.6 | Very low | 47.1 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -68.4 | 94.8 | 163.1 | -66.5 | 178.2 | 0 | 0 | 0 | 108 | Q274 T278 | Q274-L276 PolarHBondContact O-N 3.26Å; L276-T278 PolarHBondContact O-N 3.26Å | ||
| 277 | L | 51.8 | Low | 47.2 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 77.3 | 157.6 | -82.3 | 166.9 | 0 | 0 | 0 | 108.2 | S275 F279 | S275-L277 VanDerWaalsContact C-N 3.32Å; S275-L277 PolarHBondContact O-N 3.42Å; L277-F279 HydrophobicContact CB-CE2 4.38Å; L277-F279 HydrophobicContact CD2-CE2 4.49Å; L277-F279 PolarHBondContact O-N 3.17Å | ||
| 278 | T | 47.9 | Very low | 47.8 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | trans | -79.7 | 98.7 | 164 | -69 | 0 | 0 | 0 | 0 | 107.2 | L276 | L276-T278 PolarHBondContact O-N 3.26Š| ||
| 279 | F | 46.1 | Very low | 48.1 | Very low | 155 Ų | 155 | 146 Ų | 146 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 135 | 162.6 | -77.6 | -89.6 | 0 | 0 | 0 | 108.6 | L277 H281 | L277-F279 HydrophobicContact CB-CE2 4.38Å; L277-F279 HydrophobicContact CD2-CE2 4.49Å; L277-F279 PolarHBondContact O-N 3.17Å; F279-H281 PolarHBondContact O-N 3.28Å |
| 280 | P | 54.3 | Low | 48.3 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66 | 119.9 | 176.1 | 26.4 | -30.4 | 0 | 0 | 0 | 108.7 | H282 | P280-H282 PolarHBondContact O-N 2.99Š|
| 281 | H | 43.2 | Very low | 48.5 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126 | 169.5 | -79.6 | -84.8 | 0 | 0 | 0 | 109.4 | F279 L283 | F279-H281 PolarHBondContact O-N 3.28Å; H281-L283 PolarHBondContact O-N 3.3Å |
| 282 | H | 50.9 | Low | 48.6 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -57.2 | 105.9 | 166.2 | -67.6 | -83.3 | 0 | 0 | 0 | 107.9 | P280 Y284 | P280-H282 PolarHBondContact O-N 2.99Å; H282-Y284 PolarHBondContact O-N 3.28Å; H282-Y284 VanDerWaalsContact O-N 3.13Å | ||
| 283 | L | 47.1 | Very low | 48.9 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 118.5 | 169 | -69.2 | 172.5 | 0 | 0 | 0 | 107.5 | H281 Y285 | H281-L283 PolarHBondContact O-N 3.3Å; L283-Y285 PolarHBondContact O-N 2.87Å | ||
| 284 | Y | 47.3 | Very low | 49.3 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -52.7 | 105.5 | 168.3 | -91.6 | -100.4 | 0 | 0 | 0 | 108.7 | H282 S286 | H282-Y284 PolarHBondContact O-N 3.28Å; H282-Y284 VanDerWaalsContact O-N 3.13Å; Y284-S286 PolarHBondContact O-N 3.18Å | ||
| 285 | Y | 44.1 | Very low | 49.6 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -79.1 | 108.4 | 170 | -141.4 | -89.5 | 0 | 0 | 0 | 107.6 | L283 H287 | L283-Y285 PolarHBondContact O-N 2.87Å; Y285-H287 PolarHBondContact O-N 2.95Å | ||
| 286 | S | 44.3 | Very low | 50.3 | Low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -62.9 | 114.6 | 171.2 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | Y284 | Y284-S286 PolarHBondContact O-N 3.18Š| ||
| 287 | H | 43.7 | Very low | 50.6 | Low | 158 Ų | 158 | 151.5 Ų | 151.5 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 126.5 | 173.9 | -67.2 | -65.7 | 0 | 0 | 0 | 109.4 | Y285 I289 | Y285-H287 PolarHBondContact O-N 2.95Å; H287-I289 PolarHBondContact O-N 3.13Å | ||
| 288 | P | 56.3 | Low | 51 | Low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -70.2 | 128.5 | 171.1 | 27.9 | -31.6 | 0 | 0 | 0 | 109.9 | V290 | P288-V290 PolarHBondContact O-N 2.97Š| ||
| 289 | I | 49.9 | Very low | 51.3 | Low | 165 Ų | 165 | 155.4 Ų | 155.4 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -58 | 113.6 | 172.2 | -64.8 | 163.1 | 0 | 0 | 0 | 108.1 | H287 T291 | H287-I289 PolarHBondContact O-N 3.13Å; I289-T291 PolarHBondContact O-N 3.03Å | ||
| 290 | V | 47 | Very low | 51.6 | Low | 133 Ų | 133 | 155.4 Ų | 155.4 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -72.6 | 112.5 | 167.4 | 172.9 | 0 | 0 | 0 | 0 | 107.1 | P288 S292 | P288-V290 PolarHBondContact O-N 2.97Å; V290-S292 PolarHBondContact O-N 3.3Å | ||
| 291 | T | 54.6 | Low | 51.4 | Low | 116 Ų | 116 | 157.7 Ų | 157.7 | 71% | 0.712 | 83% | 0.83 | S | S | * | * | trans | -56.2 | 119.7 | 170 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I289 V293 | I289-T291 PolarHBondContact O-N 3.03Å; T291-V293 PolarHBondContact O-N 3.13Å | ||
| 292 | S | 52.9 | Low | 51.9 | Low | 104 Ų | 104 | 156.7 Ų | 156.7 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -73.9 | 115.4 | 173.3 | 53 | 0 | 0 | 0 | 0 | 109.3 | V290 | V290-S292 PolarHBondContact O-N 3.3Š| ||
| 293 | V | 54.2 | Low | 51.9 | Low | 124 Ų | 124 | 155.3 Ų | 155.3 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 123.1 | 170.4 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | T291 | T291-V293 PolarHBondContact O-N 3.13Š|
| 294 | P | 59.7 | Low | 52.2 | Low | 108 Ų | 108 | 154.9 Ų | 154.9 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76 | 126.7 | 174.4 | 28.4 | -30.4 | 0 | 0 | 0 | 111.2 | L296 | P294-L296 PolarHBondContact O-N 3.02Š|
| 295 | L | 53.9 | Low | 52.6 | Low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.6 | 167.5 | -84.5 | 117 | 0 | 0 | 0 | 110.3 | ||
| 296 | L | 60.1 | Low | 53.2 | Low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 125.9 | 157.9 | -85.6 | 108.5 | 0 | 0 | 0 | 109.6 | P294 | P294-L296 PolarHBondContact O-N 3.02Š|
| 297 | R | 53.5 | Low | 53.9 | Low | 232 Ų | 232 | 148.8 Ų | 148.8 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 140.8 | 164.9 | -70.2 | -174.8 | -171.6 | 116.6 | 0.9 | 109.1 | ||
| 298 | P | 60.5 | Low | 54.7 | Low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77 | 145.8 | 167.5 | -5 | 22.6 | 0 | 0 | 0 | 111.2 | ||
| 299 | V | 53.8 | Low | 54.6 | Low | 217 Ų | 217 | 151.2 Ų | 151.2 | 100% | 1.315 | 85% | 0.847 | S | S | * | * | trans | -77.8 | 0 | 158.7 | 168.6 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 299 of 299 residues in 397.3 ms
(Link to these results)