| 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 | 35.9 | Very low | 36.3 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 100% | 1.182 | 84% | 0.836 | S | S | * | * | 0 | 129.4 | 0 | -69 | 172.6 | 170.8 | 0 | 0 | 106.8 | |||||
| 2 | S | 34.7 | Very low | 36.5 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | 57.9 | 158.6 | 172.4 | -70.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3 | V | 35.3 | Very low | 36.9 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | cis | -150.5 | 160.9 | -37.9 | 114.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4 | C | 33.6 | Very low | 37.8 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 70% | 0.703 | 83% | 0.828 | S | S | * | * | trans | -67.2 | 154.8 | -172.2 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | H | 35.8 | Very low | 38.7 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -142.6 | 102.3 | 143.6 | -106.8 | -58.9 | 0 | 0 | 0 | 109.6 | ||||
| 6 | D | 35 | Very low | 39.4 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -93.9 | 142.6 | 159.5 | -90.4 | -58.3 | 0 | 0 | 0 | 108.7 | ||||
| 7 | S | 35.8 | Very low | 39.8 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -152.8 | 79.3 | 167.9 | -82.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | V | 35.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | 49.7 | 118 | 141.9 | -176.4 | 0 | 0 | 0 | 0 | 119.3 | Q10 | V8-Q10 HydrophobicContact CG1-CB 4.45Š| ||
| 9 | V | 38.6 | Very low | 40.5 | Very low | 141 Ų | 141 | 147 Ų | 147 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -85.7 | 141.3 | 152.4 | 175.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | Q | 38.8 | Very low | 40.8 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -138.5 | 125.2 | 168.2 | -160.2 | 166.2 | 7.1 | 0 | 0 | 110.6 | V8 | V8-Q10 HydrophobicContact CG1-CB 4.45Š| ||
| 11 | E | 40.8 | Very low | 41.1 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -83.3 | -160.1 | 172.1 | -58.2 | -173.4 | 122.3 | 0 | 0 | 111 | ||||
| 12 | V | 38.2 | Very low | 41.8 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 126.3 | 180 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 13 | R | 41.6 | Very low | 42.3 | Very low | 221 Ų | 221 | 143.5 Ų | 143.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | cis | -152.1 | 168.1 | -7.4 | -114 | 173.5 | -164.1 | 158.6 | 1.7 | 109.5 | ||||
| 14 | P | 50.2 | Low | 42.7 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -81.8 | 138.1 | 177.9 | 33.6 | -31.5 | 0 | 0 | 0 | 111.6 | ||||
| 15 | G | 51.6 | Low | 43.5 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 165 | 52.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 16 | T | 48.6 | Very low | 43.9 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -158.8 | 130.6 | 166.4 | -8.6 | 0 | 0 | 0 | 0 | 111 | R18 | T16-R18 PolarHBondContact O-N 2.74Š| ||
| 17 | A | 46.2 | Very low | 44.8 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -71.4 | 120.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V19 | A17-V19 PolarHBondContact O-N 3.38Š| ||
| 18 | R | 49.3 | Very low | 45.2 | Very low | 240 Ų | 240 | 137.6 Ų | 137.6 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 88.4 | 171 | -82.2 | -177.2 | 159.7 | -169 | -5.2 | 110.2 | T16 Q20 | T16-R18 PolarHBondContact O-N 2.74Å; R18-Q20 PolarHBondContact O-N 3.1Å | ||
| 19 | V | 44.4 | Very low | 46 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -69 | 93.8 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 109 | A17 V21 | A17-V19 PolarHBondContact O-N 3.38Å; V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.94Å | ||
| 20 | Q | 46.9 | Very low | 46.8 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 101.1 | 166.7 | -75.4 | -173.4 | -33.7 | 0 | 0 | 108.9 | R18 T22 | R18-Q20 PolarHBondContact O-N 3.1Å; Q20-T22 PolarHBondContact O-N 3.17Å; Q20-T22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | V | 45.9 | Very low | 47 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | -72.7 | 100.5 | 169 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | V19 E23 | V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.94Å; V21-E23 PolarHBondContact O-N 3.4Å | ||
| 22 | T | 50.3 | Low | 47.6 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -76 | 101.2 | 166.4 | 26.8 | 0 | 0 | 0 | 0 | 109.3 | Q20 L24 | Q20-T22 PolarHBondContact O-N 3.17Å; Q20-T22 VanDerWaalsContact O-N 3.11Å; T22-L24 PolarHBondContact O-N 2.85Å | ||
| 23 | E | 46.5 | Very low | 48.3 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -63.9 | 106.9 | 170.4 | -70 | -162.5 | 158.7 | 0 | 0 | 110.1 | V21 S25 | V21-E23 PolarHBondContact O-N 3.4Å; E23-S25 PolarHBondContact O-N 3.17Å | ||
| 24 | L | 44.1 | Very low | 48.4 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 93.6 | 171.5 | -72.9 | 173 | 0 | 0 | 0 | 109.3 | T22 G26 | T22-L24 PolarHBondContact O-N 2.85Å; L24-G26 PolarHBondContact O-N 2.98Å | ||
| 25 | S | 50.4 | Low | 48 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -69.5 | 66.7 | 172.5 | 41 | 0 | 0 | 0 | 0 | 111.7 | E23 | E23-S25 PolarHBondContact O-N 3.17Š| ||
| 26 | G | 44.3 | Very low | 47.8 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -123.6 | 115.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L24 G28 | L24-G26 PolarHBondContact O-N 2.98Å; G26-G28 PolarHBondContact O-N 3.37Å | ||
| 27 | S | 52.7 | Low | 47.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 92% | 0.923 | 79% | 0.793 | S | S | * | * | trans | -70.1 | 123.8 | -178.4 | 55.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 28 | G | 44.6 | Very low | 47.4 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -177 | 130.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G26 I30 | G26-G28 PolarHBondContact O-N 3.37Å; G28-I30 PolarHBondContact O-N 3.38Å; G28-I30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | S | 53 | Low | 46.9 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -77.9 | 91.2 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 111 | N31 | S29-N31 PolarHBondContact O-N 3.1Š| ||
| 30 | I | 55.2 | Low | 46.8 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 52.8 | 175.6 | -41 | 178.5 | 0 | 0 | 0 | 110.9 | G28 | G28-I30 PolarHBondContact O-N 3.38Å; G28-I30 VanDerWaalsContact O-N 3.07Å | ||
| 31 | N | 41.5 | Very low | 46.5 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -150.2 | 105.2 | 170 | -160 | -1.2 | 0 | 0 | 0 | 107.3 | S29 T33 | S29-N31 PolarHBondContact O-N 3.1Å; N31-T33 PolarHBondContact O-N 2.82Å |
| 32 | P | 53.8 | Low | 46.3 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 104 | -176.4 | 27.4 | -33.1 | 0 | 0 | 0 | 109.4 | ||||
| 33 | T | 53.8 | Low | 46 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -57.4 | 133.4 | 163.8 | 35.1 | 0 | 0 | 0 | 0 | 108.3 | N31 A35 | N31-T33 PolarHBondContact O-N 2.82Å; T33-A35 PolarHBondContact O-N 3.27Å | ||
| 34 | P | 43.4 | Very low | 45.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 104.5 | 179.9 | 25.8 | -33.1 | 0 | 0 | 0 | 108.5 | R36 | P34-R36 PolarHBondContact O-N 3.14Š| ||
| 35 | A | 41.8 | Very low | 46 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -59.9 | 112.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.4 | T33 K37 | T33-A35 PolarHBondContact O-N 3.27Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.02Å | ||
| 36 | R | 47.8 | Very low | 46.1 | Very low | 245 Ų | 245 | 135.8 Ų | 135.8 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -58.2 | 102.4 | 165.4 | -89.2 | -175.9 | 165.2 | -178.2 | -4.8 | 107 | P34 A38 | P34-R36 PolarHBondContact O-N 3.14Å; R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3.16Å | ||
| 37 | K | 38.8 | Very low | 46.5 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 98.5 | 167.2 | -76.3 | -174.8 | 176.5 | -178.4 | 0 | 107.6 | A35 N39 | A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.02Å; K37-N39 PolarHBondContact O-N 2.84Å | ||
| 38 | A | 47.6 | Very low | 46.9 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -72.8 | 78.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R36 | R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3.16Å | ||
| 39 | N | 37.5 | Very low | 47.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -164.4 | 117.6 | 165.1 | -96.7 | -24.3 | 0 | 0 | 0 | 111.5 | K37 D41 | K37-N39 PolarHBondContact O-N 2.84Å; N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.2Å |
| 40 | Q | 43.5 | Very low | 48.7 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 64.3 | -5.6 | 133.1 | -62.7 | 176.7 | -26.9 | 0 | 0 | 121.5 | Q42 | Q40-Q42 PolarHBondContact O-N 3.13Š|
| 41 | D | 40.3 | Very low | 49.7 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | trans | -95.8 | 44.4 | 169 | -63.7 | -44.4 | 0 | 0 | 0 | 112.4 | N39 | N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.2Å | ||
| 42 | Q | 41 | Very low | 51.5 | Low | 181 Ų | 181 | 120.6 Ų | 120.6 | 85% | 0.846 | 66% | 0.655 | S | S | * | * | trans | -101.2 | -18.2 | 177.6 | -81 | -167.2 | -34.6 | 0 | 0 | 114.7 | Q40 | Q40-Q42 PolarHBondContact O-N 3.13Š| ||
| 43 | D | 45.5 | Very low | 52.7 | Low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 125 | 172.6 | -74.1 | -46.8 | 0 | 0 | 0 | 110.1 | ||
| 44 | K | 43.8 | Very low | 54 | Low | 204 Ų | 204 | 120.9 Ų | 120.9 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 43.3 | -172.1 | -49.5 | -178.2 | -177.6 | -179 | 0 | 115.9 | V46 | K44-V46 PolarHBondContact O-N 3.44Š|
| 45 | A | 46 | Very low | 55.9 | Low | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | -56.4 | 126.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | E47 | A45-E47 PolarHBondContact O-N 3.01Š| |||
| 46 | V | 53.1 | Low | 57.9 | Low | 139 Ų | 139 | 113.1 Ų | 113.1 | 84% | 0.842 | 57% | 0.568 | S | S | * | * | trans | -68 | 104.4 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | K44 | K44-V46 PolarHBondContact O-N 3.44Š| ||
| 47 | E | 52.7 | Low | 59.6 | Low | 134 Ų | 134 | 108.5 Ų | 108.5 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | trans | -60.4 | 130.1 | 171.3 | -73.3 | -158.3 | 147.5 | 0 | 0 | 108 | A45 Y49 | A45-E47 PolarHBondContact O-N 3.01Å; E47-Y49 PolarHBondContact O-N 2.94Å | ||
| 48 | P | 61 | Low | 61.6 | Low | 84 Ų | 84 | 103.4 Ų | 103.4 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | trans | -59.4 | 138.8 | 175.4 | 25.3 | -33.4 | 0 | 0 | 0 | 109.2 | L50 S51 | P48-L50 PolarHBondContact O-N 2.89Å; P48-L50 VanDerWaalsContact O-N 3.11Å; P48-S51 WeakPolarHBondContact O-CB 2.97Å; P48-S51 PolarHBondContact O-N 2.88Å | ||
| 49 | Y | 64.9 | Low | 63.3 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 28% | 0.275 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.9 | -174 | -170.6 | -91.5 | 0 | 0 | 0 | 113.5 | E47 R54 V74 N79 | E47-Y49 PolarHBondContact O-N 2.94Å; Y49-R54 VanDerWaalsContact CZ-NH2 3.25Å; Y49-R54 WeakPolarHBondContact O-CD 3.39Å; Y49-R54 PolarHBondContact O-NE 3.29Å; Y49-R54 VanDerWaalsContact O-NE 3.13Å; Y49-R54 PolarHBondContact OH-NH2 2.83Å; Y49-V74 HydrophobicContact CD1-CG1 3.86Å; Y49-V74 HydrophobicContact CD1-CG2 4.39Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 3.92Å; Y49-V74 HydrophobicContact CE1-CG2 4.05Å; Y49-N79 WeakPolarHBondContact CB-OD1 3.4Å; Y49-N79 HydrophobicContact CD1-CB 4.46Å; Y49-N79 HydrophobicContact CD2-CB 4.08Å; Y49-N79 WeakPolarHBondContact CD2-OD1 3.3Å; Y49-N79 HydrophobicContact CG-CB 3.82Å |
| 50 | L | 70.4 | Confident | 65.3 | Low | 7 Ų | 7 | 98.2 Ų | 98.2 | 4% | 0.037 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 52.7 | 168.7 | -61 | -173.9 | 0 | 0 | 0 | 111.5 | P48 L55 L58 I72 L81 F84 | P48-L50 PolarHBondContact O-N 2.89Å; P48-L50 VanDerWaalsContact O-N 3.11Å; L50-L55 HydrophobicContact CB-CD1 4.42Å; L50-L55 HydrophobicContact CB-CD2 4.38Å; L50-L55 HydrophobicContact CB-CG 4.34Å; L50-L55 HydrophobicContact CD2-CD2 4.08Å; L50-L58 HydrophobicContact CD2-CD1 4.43Å; L50-I72 HydrophobicContact CD1-CD1 4.17Å; L50-I72 HydrophobicContact CD2-CD1 4.5Å; L50-L81 HydrophobicContact CD1-CD2 3.57Å; L50-L81 HydrophobicContact CG-CD2 4.37Å; L50-F84 HydrophobicContact CB-CB 4.32Å; L50-F84 HydrophobicContact CD1-CB 3.73Å; L50-F84 HydrophobicContact CD1-CD1 3.87Å; L50-F84 HydrophobicContact CD1-CD2 4.04Å; L50-F84 HydrophobicContact CD1-CG 3.6Å |
| 51 | S | 76.3 | Confident | 67 | Low | 13 Ų | 13 | 92.9 Ų | 92.9 | 9% | 0.091 | 50% | 0.499 | C | S | . | . | trans | -61 | 148.2 | 168 | 75 | 0 | 0 | 0 | 0 | 110 | P48 K53 R54 L55 | P48-S51 WeakPolarHBondContact O-CB 2.97Å; P48-S51 PolarHBondContact O-N 2.88Å; S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.38Å; S51-K53 VanDerWaalsContact O-N 3.16Å; S51-R54 WeakPolarHBondContact O-CA 3.39Å; S51-R54 WeakPolarHBondContact O-CB 3.48Å; S51-R54 PolarHBondContact O-N 3.09Å; S51-L55 PolarHBondContact O-N 3.22Å | ||
| 52 | P | 77.9 | Confident | 68.9 | Low | 48 Ų | 48 | 93.7 Ų | 93.7 | 31% | 0.312 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -53.4 | -41.5 | -176.7 | -31 | 36.9 | 0 | 0 | 0 | 113.4 | R54 L55 E56 Y87 | P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.45Å; P52-L55 CarbonylContact O-C 3.57Å; P52-L55 WeakPolarHBondContact O-CB 3.36Å; P52-L55 PolarHBondContact O-N 3.27Å; P52-L55 VanDerWaalsContact O-N 3.14Å; P52-E56 WeakPolarHBondContact O-CG 3.49Å; P52-E56 PolarHBondContact O-N 2.59Å; P52-Y87 HydrophobicContact CG-CD1 4.15Å; P52-Y87 HydrophobicContact CG-CE1 3.79Å; P52-Y87 HydrophobicContact CG-CE2 4.18Å |
| 53 | K | 79.6 | Confident | 71 | Confident | 139 Ų | 139 | 88.6 Ų | 88.6 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.5 | -35.7 | 174.6 | -63.7 | 175.1 | -175.9 | 166.1 | 0 | 113.2 | S51 L57 | S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.38Å; S51-K53 VanDerWaalsContact O-N 3.16Å; K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 2.86Å; K53-L57 VanDerWaalsContact O-N 3.1Å |
| 54 | R | 81.1 | Confident | 72.8 | Confident | 108 Ų | 108 | 82 Ų | 82 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.5 | -36.8 | 178.8 | -171.1 | 152 | 161.6 | 100.4 | 1.1 | 110.6 | Y49 S51 P52 L57 L58 | Y49-R54 VanDerWaalsContact CZ-NH2 3.25Å; Y49-R54 WeakPolarHBondContact O-CD 3.39Å; Y49-R54 PolarHBondContact O-NE 3.29Å; Y49-R54 VanDerWaalsContact O-NE 3.13Å; Y49-R54 PolarHBondContact OH-NH2 2.83Å; S51-R54 WeakPolarHBondContact O-CA 3.39Å; S51-R54 WeakPolarHBondContact O-CB 3.48Å; S51-R54 PolarHBondContact O-N 3.09Å; P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.45Å; R54-L57 PolarHBondContact O-N 2.97Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 WeakPolarHBondContact O-CB 3.36Å; R54-L58 VanDerWaalsContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.69Å |
| 55 | L | 83.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 168 | -68.6 | 167.8 | 0 | 0 | 0 | 111.9 | L50 S51 P52 L57 L58 C59 L64 L70 Y87 L88 | L50-L55 HydrophobicContact CB-CD1 4.42Å; L50-L55 HydrophobicContact CB-CD2 4.38Å; L50-L55 HydrophobicContact CB-CG 4.34Å; L50-L55 HydrophobicContact CD2-CD2 4.08Å; S51-L55 PolarHBondContact O-N 3.22Å; P52-L55 CarbonylContact O-C 3.57Å; P52-L55 WeakPolarHBondContact O-CB 3.36Å; P52-L55 PolarHBondContact O-N 3.27Å; P52-L55 VanDerWaalsContact O-N 3.14Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 2.74Å; L55-C59 WeakPolarHBondContact O-CB 3.2Å; L55-C59 PolarHBondContact O-N 2.98Å; L55-C59 PolarHBondContact O-SG 3.49Å; L55-L64 HydrophobicContact CB-CD1 3.89Å; L55-L64 HydrophobicContact CB-CD2 4.13Å; L55-L64 HydrophobicContact CD1-CD1 4.47Å; L55-L70 HydrophobicContact CD2-CD2 4.3Å; L55-Y87 HydrophobicContact CD1-CD2 3.69Å; L55-Y87 HydrophobicContact CD1-CG 4.22Å; L55-L88 HydrophobicContact CD2-CD1 4.35Å |
| 56 | E | 84.3 | Confident | 76.7 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 174.9 | -68.8 | 173.2 | -119.8 | 0 | 0 | 112 | P52 G60 T61 H62 L64 | P52-E56 WeakPolarHBondContact O-CG 3.49Å; P52-E56 PolarHBondContact O-N 2.59Å; E56-G60 CarbonylContact O-C 3.13Å; E56-G60 WeakPolarHBondContact O-CA 3.4Å; E56-G60 PolarHBondContact O-N 3.43Å; E56-T61 WeakPolarHBondContact CA-O 3.42Å; E56-T61 PolarHBondContact O-N 2.86Å; E56-T61 VanDerWaalsContact O-N 3.1Å; E56-H62 IonicContact OE2-CE1 3.76Å; E56-H62 IonicContact OE2-CG 3.65Å; E56-H62 IonicContact OE2-ND1 2.74Å; E56-H62 PolarHBondContact OE2-ND1 3.42Å; E56-L64 HydrophobicContact CG-CD1 4.36Å; E56-L64 HydrophobicContact CG-CD2 4.19Å; E56-L64 HydrophobicContact CG-CG 4.24Å |
| 57 | L | 82.3 | Confident | 78.4 | Confident | 147 Ų | 147 | 73.2 Ų | 73.2 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.7 | -37.2 | 175.9 | -73.1 | 168.6 | 0 | 0 | 0 | 112.9 | K53 R54 L55 | K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 2.86Å; K53-L57 VanDerWaalsContact O-N 3.1Å; R54-L57 PolarHBondContact O-N 2.97Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.1Å |
| 58 | L | 81.2 | Confident | 80.2 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.6 | -39.5 | 178.1 | -72.5 | 159.8 | 0 | 0 | 0 | 112 | L50 R54 L55 L70 I72 | L50-L58 HydrophobicContact CD2-CD1 4.43Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 WeakPolarHBondContact O-CB 3.36Å; R54-L58 VanDerWaalsContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.69Å; L55-L58 PolarHBondContact O-N 2.74Å; L58-L70 HydrophobicContact CB-CD1 4.45Å; L58-I72 HydrophobicContact CD1-CG2 3.81Å; L58-I72 HydrophobicContact CD2-CG2 4.35Å; L58-I72 HydrophobicContact CG-CG2 4.47Å |
| 59 | C | 83.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.3 | -18.5 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | L55 T61 L64 V67 | L55-C59 WeakPolarHBondContact O-CB 3.2Å; L55-C59 PolarHBondContact O-N 2.98Å; L55-C59 PolarHBondContact O-SG 3.49Å; C59-T61 WeakPolarHBondContact CB-OG1 3.1Å; C59-T61 PolarHBondContact O-N 3.11Å; C59-L64 HydrophobicContact CB-CD2 4.3Å; C59-V67 HydrophobicContact CB-CG1 4.41Å; C59-V67 HydrophobicContact CB-CG2 3.82Å |
| 60 | G | 79.3 | Confident | 82.9 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 15.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 | E56-G60 CarbonylContact O-C 3.13Å; E56-G60 WeakPolarHBondContact O-CA 3.4Å; E56-G60 PolarHBondContact O-N 3.43Å |
| 61 | T | 80.4 | Confident | 83.9 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | trans | -141.4 | 130.1 | -170.8 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | E56 C59 D63 V67 | E56-T61 WeakPolarHBondContact CA-O 3.42Å; E56-T61 PolarHBondContact O-N 2.86Å; E56-T61 VanDerWaalsContact O-N 3.1Å; C59-T61 WeakPolarHBondContact CB-OG1 3.1Å; C59-T61 PolarHBondContact O-N 3.11Å; T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 3.47Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.4Å | ||
| 62 | H | 79.8 | Confident | 84.4 | Confident | 165 Ų | 165 | 71.2 Ų | 71.2 | 76% | 0.764 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -69.5 | -20.3 | 174.1 | -58.6 | -60.2 | 0 | 0 | 0 | 114.2 | E56 | E56-H62 IonicContact OE2-CE1 3.76Å; E56-H62 IonicContact OE2-CG 3.65Å; E56-H62 IonicContact OE2-ND1 2.74Å; E56-H62 PolarHBondContact OE2-ND1 3.42Å |
| 63 | D | 84.8 | Confident | 84.9 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | trans | -100.9 | 82.2 | -180 | -176.2 | 4.7 | 0 | 0 | 0 | 111.1 | T61 S65 R66 | T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 3.47Å; D63-S65 PolarHBondContact O-N 3.43Å; D63-S65 WeakPolarHBondContact OD1-CB 3.26Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 PolarHBondContact OD1-OG 2.87Å; D63-R66 PolarHBondContact O-N 2.86Å; D63-R66 WeakPolarHBondContact OD2-CD 3.49Å; D63-R66 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 64 | L | 83.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -61.4 | -19.7 | 178.8 | -58.7 | -178.5 | 0 | 0 | 0 | 113.1 | L55 E56 C59 R66 V67 Y87 L88 | L55-L64 HydrophobicContact CB-CD1 3.89Å; L55-L64 HydrophobicContact CB-CD2 4.13Å; L55-L64 HydrophobicContact CD1-CD1 4.47Å; E56-L64 HydrophobicContact CG-CD1 4.36Å; E56-L64 HydrophobicContact CG-CD2 4.19Å; E56-L64 HydrophobicContact CG-CG 4.24Å; C59-L64 HydrophobicContact CB-CD2 4.3Å; L64-R66 PolarHBondContact O-N 2.88Å; L64-R66 VanDerWaalsContact O-N 3.09Å; L64-V67 HydrophobicContact CD2-CG2 4.41Å; L64-V67 PolarHBondContact O-N 2.91Å; L64-Y87 WeakPolarHBondContact CB-O 3.45Å; L64-L88 HydrophobicContact CB-CD2 3.97Å; L64-L88 HydrophobicContact CD2-CD2 4.22Å |
| 65 | S | 85.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -69.6 | -6.3 | 179.1 | 83.2 | 0 | 0 | 0 | 0 | 114.5 | D63 R90 | D63-S65 PolarHBondContact O-N 3.43Å; D63-S65 WeakPolarHBondContact OD1-CB 3.26Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 PolarHBondContact OD1-OG 2.87Å; S65-R90 WeakPolarHBondContact O-CD 3.36Å; S65-R90 PolarHBondContact O-NH1 2.73Å |
| 66 | R | 85.2 | Confident | 85.3 | Confident | 183 Ų | 183 | 64.7 Ų | 64.7 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -118.2 | 8.3 | -178.9 | -63.4 | -178.1 | 62.2 | -152.6 | -8.2 | 113.5 | D63 L64 N68 | D63-R66 PolarHBondContact O-N 2.86Å; D63-R66 WeakPolarHBondContact OD2-CD 3.49Å; D63-R66 WeakPolarHBondContact OD2-CG 3.35Å; L64-R66 PolarHBondContact O-N 2.88Å; L64-R66 VanDerWaalsContact O-N 3.09Å; R66-N68 PolarHBondContact O-N 2.84Å; R66-N68 PolarHBondContact O-OD1 3.08Å |
| 67 | V | 88.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 69 Ų | 69 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | trans | -86.5 | 106.8 | 179.3 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | C59 T61 L64 H69 L88 R90 L91 | C59-V67 HydrophobicContact CB-CG1 4.41Å; C59-V67 HydrophobicContact CB-CG2 3.82Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.4Å; L64-V67 HydrophobicContact CD2-CG2 4.41Å; L64-V67 PolarHBondContact O-N 2.91Å; V67-H69 VanDerWaalsContact CG1-O 3.26Å; V67-H69 WeakPolarHBondContact CG1-O 3.35Å; V67-L88 HydrophobicContact CB-CD2 3.76Å; V67-L88 HydrophobicContact CG1-CD2 3.97Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; V67-R90 CarbonylContact O-C 3.54Å; V67-L91 HydrophobicContact CG1-CD1 4.28Å | ||
| 68 | N | 90.6 | Very high | 85 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | trans | -92 | -18.1 | 176.6 | -67.1 | 38.9 | 0 | 0 | 0 | 112.8 | R66 R90 E92 Q93 | R66-N68 PolarHBondContact O-N 2.84Å; R66-N68 PolarHBondContact O-OD1 3.08Å; N68-R90 WeakPolarHBondContact CA-O 3.31Å; N68-E92 HydrophobicContact CB-CG 4.32Å; N68-E92 PolarHBondContact ND2-OE2 2.82Å; N68-E92 PolarHBondContact O-N 2.75Å; N68-Q93 PolarHBondContact O-N 2.92Å | ||
| 69 | H | 92.4 | Very high | 84.8 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133 | -178.6 | 178.7 | 99.3 | 0 | 0 | 0 | 110.9 | V67 Q93 | V67-H69 VanDerWaalsContact CG1-O 3.26Å; V67-H69 WeakPolarHBondContact CG1-O 3.35Å; H69-Q93 WeakPolarHBondContact CA-O 3.17Å; H69-Q93 HydrophobicContact CB-CB 4.15Å; H69-Q93 PolarHBondContact ND1-OE1 3.35Å |
| 70 | L | 90.3 | Very high | 84.5 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132.1 | 175.8 | -179.7 | 64.3 | 0 | 0 | 0 | 111 | L55 L58 I72 F84 L88 L91 Q93 L94 K95 | L55-L70 HydrophobicContact CD2-CD2 4.3Å; L58-L70 HydrophobicContact CB-CD1 4.45Å; L70-I72 HydrophobicContact CD1-CG2 3.74Å; L70-I72 HydrophobicContact CD2-CD1 4Å; L70-I72 HydrophobicContact CD2-CG1 4.31Å; L70-I72 HydrophobicContact CD2-CG2 3.99Å; L70-I72 HydrophobicContact CG-CG1 4.41Å; L70-I72 HydrophobicContact CG-CG2 3.81Å; L70-F84 HydrophobicContact CD2-CE2 4.23Å; L70-L88 HydrophobicContact CD2-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD2 4.33Å; L70-Q93 PolarHBondContact N-O 2.99Å; L70-L94 HydrophobicContact CB-CD1 4.28Å; L70-L94 HydrophobicContact CD2-CD1 4.16Å; L70-L94 HydrophobicContact CG-CD1 4.33Å; L70-K95 PolarHBondContact O-N 3.06Å |
| 71 | E | 91.1 | Very high | 84.4 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.1 | 166.2 | 179.9 | 164.1 | -173.7 | 0 | 0 | 109.7 | K95 | E71-K95 WeakPolarHBondContact CA-O 3.44Å; E71-K95 HydrophobicContact CB-CB 4.21Å; E71-K95 HydrophobicContact CG-CB 4.26Å; E71-K95 HydrophobicContact CG-CD 4.12Å; E71-K95 HydrophobicContact CG-CG 4.12Å; E71-K95 WeakPolarHBondContact OE1-CE 3.38Å; E71-K95 IonicContact OE1-NZ 2.69Å; E71-K95 PolarHBondContact OE1-NZ 3.07Å; E71-K95 WeakPolarHBondContact OE2-CD 3.35Å; E71-K95 IonicContact OE2-NZ 2.74Å; E71-K95 PolarHBondContact OE2-NZ 3.25Å |
| 72 | I | 88.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | trans | -140.4 | 144.8 | 179.8 | 52.1 | 175.1 | 0 | 0 | 0 | 111.3 | L50 L58 L70 V74 L81 L94 K95 M96 S99 | L50-I72 HydrophobicContact CD1-CD1 4.17Å; L50-I72 HydrophobicContact CD2-CD1 4.5Å; L58-I72 HydrophobicContact CD1-CG2 3.81Å; L58-I72 HydrophobicContact CD2-CG2 4.35Å; L58-I72 HydrophobicContact CG-CG2 4.47Å; L70-I72 HydrophobicContact CD1-CG2 3.74Å; L70-I72 HydrophobicContact CD2-CD1 4Å; L70-I72 HydrophobicContact CD2-CG1 4.31Å; L70-I72 HydrophobicContact CD2-CG2 3.99Å; L70-I72 HydrophobicContact CG-CG1 4.41Å; L70-I72 HydrophobicContact CG-CG2 3.81Å; I72-V74 HydrophobicContact CB-CG2 4.16Å; I72-V74 HydrophobicContact CD1-CG2 3.95Å; I72-V74 HydrophobicContact CG1-CG2 4.2Å; I72-L81 HydrophobicContact CD1-CD2 4.48Å; I72-L94 HydrophobicContact CD1-CD1 4.32Å; I72-L94 HydrophobicContact CG1-CD1 4.25Å; I72-K95 PolarHBondContact N-O 2.98Å; I72-M96 HydrophobicContact CD1-CE 3.84Å; I72-M96 HydrophobicContact CD1-CG 4.41Å; I72-M96 HydrophobicContact CD1-SD 4.11Å; I72-M96 HydrophobicContact CG1-CE 4.03Å; I72-M96 HydrophobicContact CG1-CG 3.86Å; I72-M96 HydrophobicContact CG1-SD 4.22Å; I72-M96 VanDerWaalsContact O-CA 3.31Å; I72-M96 WeakPolarHBondContact O-CA 3.06Å; I72-S99 PolarHBondContact O-OG 3.5Å | ||
| 73 | C | 87.7 | Confident | 83.7 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | trans | -110 | 123 | 168 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | S99 | C73-S99 WeakPolarHBondContact CA-OG 3.33Š| ||
| 74 | V | 84.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | trans | -138.6 | 157.3 | -175.7 | -167 | 0 | 0 | 0 | 0 | 110.8 | Y49 I72 N79 L81 M96 S99 F100 | Y49-V74 HydrophobicContact CD1-CG1 3.86Å; Y49-V74 HydrophobicContact CD1-CG2 4.39Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 3.92Å; Y49-V74 HydrophobicContact CE1-CG2 4.05Å; I72-V74 HydrophobicContact CB-CG2 4.16Å; I72-V74 HydrophobicContact CD1-CG2 3.95Å; I72-V74 HydrophobicContact CG1-CG2 4.2Å; V74-N79 HydrophobicContact CG1-CB 4.41Å; V74-L81 HydrophobicContact CB-CD2 3.85Å; V74-L81 HydrophobicContact CG1-CD2 3.62Å; V74-L81 HydrophobicContact CG1-CG 4.07Å; V74-L81 HydrophobicContact CG2-CD2 3.75Å; V74-M96 HydrophobicContact CB-CE 4.3Å; V74-M96 HydrophobicContact CG2-CE 4.15Å; V74-S99 PolarHBondContact N-OG 2.85Å; V74-S99 CarbonylContact O-C 3.4Å; V74-S99 WeakPolarHBondContact O-CA 3.08Å; V74-S99 WeakPolarHBondContact O-CB 3.38Å; V74-F100 PolarHBondContact O-N 3.08Å | ||
| 75 | D | 85.8 | Confident | 83.7 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -126.9 | 114.6 | 175.2 | -175.1 | -28.4 | 0 | 0 | 0 | 108.7 | Q77 N79 F100 | D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CG 3.38Å; D75-Q77 PolarHBondContact OD1-N 3.19Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.41Å; D75-N79 PolarHBondContact O-ND2 2.8Å; D75-F100 HydrophobicContact CB-CB 4.43Å; D75-F100 HydrophobicContact CB-CD2 4.33Å; D75-F100 WeakPolarHBondContact OD2-CD2 3.05Å |
| 76 | T | 83.3 | Confident | 83.7 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.6 | -177.6 | 70.2 | 0 | 0 | 0 | 0 | 114.5 | N79 L81 F100 V101 D106 | T76-N79 WeakPolarHBondContact CA-O 3.44Å; T76-L81 HydrophobicContact CG2-CD1 3.44Å; T76-L81 VanDerWaalsContact CG2-CD1 3.44Å; T76-L81 HydrophobicContact CG2-CG 3.92Å; T76-F100 PolarHBondContact N-O 2.83Å; T76-F100 PolarHBondContact OG1-O 3.38Å; T76-V101 HydrophobicContact CG2-CG1 4.44Å; T76-V101 HydrophobicContact CG2-CG2 4.08Å; T76-D106 WeakPolarHBondContact CB-OD2 3.45Å; T76-D106 HydrophobicContact CG2-CB 4.04Å; T76-D106 PolarHBondContact OG1-OD2 2.56Å |
| 77 | Q | 81.4 | Confident | 83.7 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -39.9 | 168.9 | -53.2 | -173.7 | 14.1 | 0 | 0 | 110.6 | D75 | D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CG 3.38Å; D75-Q77 PolarHBondContact OD1-N 3.19Å |
| 78 | E | 77.4 | Confident | 83.7 | Confident | 154 Ų | 154 | 56.4 Ų | 56.4 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -28.4 | 179.6 | -67.5 | -70 | 154.2 | 0 | 0 | 112.7 | ||
| 79 | N | 77.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | trans | -141.9 | 110.3 | -167.3 | -55.1 | -84.5 | 0 | 0 | 0 | 114 | Y49 V74 D75 T76 L81 | Y49-N79 WeakPolarHBondContact CB-OD1 3.4Å; Y49-N79 HydrophobicContact CD1-CB 4.46Å; Y49-N79 HydrophobicContact CD2-CB 4.08Å; Y49-N79 WeakPolarHBondContact CD2-OD1 3.3Å; Y49-N79 HydrophobicContact CG-CB 3.82Å; V74-N79 HydrophobicContact CG1-CB 4.41Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.41Å; D75-N79 PolarHBondContact O-ND2 2.8Å; T76-N79 WeakPolarHBondContact CA-O 3.44Å; N79-L81 PolarHBondContact O-N 3.49Å | ||
| 80 | T | 77.4 | Confident | 83.4 | Confident | 117 Ų | 117 | 59 Ų | 59 | 72% | 0.718 | 32% | 0.315 | S | S | * | . | trans | -62.3 | 123.3 | 169.9 | -43.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 81 | L | 76.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | trans | -67.1 | -42.7 | 177.3 | -78.1 | 160.7 | 0 | 0 | 0 | 111.9 | L50 I72 V74 T76 N79 F84 M96 V101 D106 L107 | L50-L81 HydrophobicContact CD1-CD2 3.57Å; L50-L81 HydrophobicContact CG-CD2 4.37Å; I72-L81 HydrophobicContact CD1-CD2 4.48Å; V74-L81 HydrophobicContact CB-CD2 3.85Å; V74-L81 HydrophobicContact CG1-CD2 3.62Å; V74-L81 HydrophobicContact CG1-CG 4.07Å; V74-L81 HydrophobicContact CG2-CD2 3.75Å; T76-L81 HydrophobicContact CG2-CD1 3.44Å; T76-L81 VanDerWaalsContact CG2-CD1 3.44Å; T76-L81 HydrophobicContact CG2-CG 3.92Å; N79-L81 PolarHBondContact O-N 3.49Å; L81-F84 HydrophobicContact CB-CD1 4.28Å; L81-F84 HydrophobicContact CB-CE1 4.4Å; L81-M96 HydrophobicContact CD1-CE 3.85Å; L81-M96 HydrophobicContact CD2-CE 3.89Å; L81-V101 HydrophobicContact CD1-CG2 4.18Å; L81-D106 VanDerWaalsContact CB-O 3.29Å; L81-D106 WeakPolarHBondContact CB-O 3.46Å; L81-D106 HydrophobicContact CD1-CB 4.37Å; L81-L107 HydrophobicContact CD1-CD2 3.94Å | ||
| 82 | G | 71.1 | Confident | 83.6 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | 68.5 | -168.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | F84 D106 | G82-F84 WeakPolarHBondContact O-CD1 3.44Å; G82-F84 PolarHBondContact O-N 3.2Å; G82-D106 PolarHBondContact N-O 3.34Å | ||
| 83 | D | 75.9 | Confident | 83.9 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -76.1 | 51.1 | 177.8 | -70.2 | -58.9 | 0 | 0 | 0 | 112.9 | G85 A86 T109 T110 | D83-G85 PolarHBondContact O-N 3Å; D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.05Å; D83-T109 PolarHBondContact OD1-N 3.5Å; D83-T110 HydrophobicContact CB-CG2 4.05Å |
| 84 | F | 84.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -63.7 | -22 | 179.4 | 75.9 | -87 | 0 | 0 | 0 | 112.5 | L50 L70 L81 G82 A86 Y87 L88 L91 L94 L107 L111 | L50-F84 HydrophobicContact CB-CB 4.32Å; L50-F84 HydrophobicContact CD1-CB 3.73Å; L50-F84 HydrophobicContact CD1-CD1 3.87Å; L50-F84 HydrophobicContact CD1-CD2 4.04Å; L50-F84 HydrophobicContact CD1-CG 3.6Å; L70-F84 HydrophobicContact CD2-CE2 4.23Å; L81-F84 HydrophobicContact CB-CD1 4.28Å; L81-F84 HydrophobicContact CB-CE1 4.4Å; G82-F84 WeakPolarHBondContact O-CD1 3.44Å; G82-F84 PolarHBondContact O-N 3.2Å; F84-A86 PolarHBondContact O-N 3.25Å; F84-Y87 WeakPolarHBondContact O-CB 3.46Å; F84-Y87 PolarHBondContact O-N 3.41Å; F84-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 4.28Å; F84-L88 PolarHBondContact O-N 3.19Å; F84-L91 HydrophobicContact CE2-CD2 4.49Å; F84-L94 HydrophobicContact CE2-CD2 4.46Å; F84-L94 HydrophobicContact CZ-CD2 3.87Å; F84-L107 HydrophobicContact CE1-CB 4.45Å; F84-L107 HydrophobicContact CE1-CD2 4.14Å; F84-L107 HydrophobicContact CZ-CD2 4.37Å; F84-L111 HydrophobicContact CE1-CD1 4.36Å; F84-L111 HydrophobicContact CE2-CD1 4.49Å; F84-L111 HydrophobicContact CE2-CD2 4.5Å; F84-L111 HydrophobicContact CZ-CD1 3.89Å |
| 85 | G | 82.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -58.5 | -25.6 | 169 | 0 | 0 | 0 | 0 | 0 | 113.9 | D83 Y87 L88 T110 L111 | D83-G85 PolarHBondContact O-N 3Å; G85-Y87 PolarHBondContact O-N 3.28Å; G85-L88 CarbonylContact O-C 3.53Å; G85-L88 PolarHBondContact O-N 2.82Å; G85-T110 WeakPolarHBondContact CA-OG1 3.44Å; G85-T110 PolarHBondContact N-OG1 3.26Å; G85-L111 VanDerWaalsContact CA-CD2 3.46Å |
| 86 | A | 85.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 57 Ų | 57 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -63.7 | -23.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D83 F84 T110 | D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.05Å; F84-A86 PolarHBondContact O-N 3.25Å; A86-T110 HydrophobicContact CB-CG2 4.43Å; A86-T110 PolarHBondContact N-OG1 2.77Å |
| 87 | Y | 84.5 | Confident | 85.2 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -86.8 | -19.2 | 172 | -54.1 | -55.7 | 0 | 0 | 0 | 112.8 | P52 L55 L64 F84 G85 P89 | P52-Y87 HydrophobicContact CG-CD1 4.15Å; P52-Y87 HydrophobicContact CG-CE1 3.79Å; P52-Y87 HydrophobicContact CG-CE2 4.18Å; L55-Y87 HydrophobicContact CD1-CD2 3.69Å; L55-Y87 HydrophobicContact CD1-CG 4.22Å; L64-Y87 WeakPolarHBondContact CB-O 3.45Å; F84-Y87 WeakPolarHBondContact O-CB 3.46Å; F84-Y87 PolarHBondContact O-N 3.41Å; G85-Y87 PolarHBondContact O-N 3.28Å; Y87-P89 WeakPolarHBondContact O-CD 3.43Å |
| 88 | L | 88.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | trans | -123.9 | 58 | -174 | -59.7 | 168.7 | 0 | 0 | 0 | 111.8 | L55 L64 V67 L70 F84 G85 R90 L91 | L55-L88 HydrophobicContact CD2-CD1 4.35Å; L64-L88 HydrophobicContact CB-CD2 3.97Å; L64-L88 HydrophobicContact CD2-CD2 4.22Å; V67-L88 HydrophobicContact CB-CD2 3.76Å; V67-L88 HydrophobicContact CG1-CD2 3.97Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; L70-L88 HydrophobicContact CD2-CD1 3.63Å; F84-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 4.28Å; F84-L88 PolarHBondContact O-N 3.19Å; G85-L88 CarbonylContact O-C 3.53Å; G85-L88 PolarHBondContact O-N 2.82Å; L88-R90 PolarHBondContact O-N 3.08Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD2 4.3Å; L88-L91 PolarHBondContact O-N 3.46Å | ||
| 89 | P | 87.8 | Confident | 86.1 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 7.9 | -171 | 31.5 | -39.7 | 0 | 0 | 0 | 115 | Y87 H113 | Y87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-H113 PolarHBondContact O-CD2 2.89Å |
| 90 | R | 89.9 | Confident | 86.6 | Confident | 136 Ų | 136 | 50.9 Ų | 50.9 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 17.7 | 175.9 | -66.5 | -164.4 | 178.8 | 115.1 | -6 | 113 | S65 V67 N68 L88 E92 | S65-R90 WeakPolarHBondContact O-CD 3.36Å; S65-R90 PolarHBondContact O-NH1 2.73Å; V67-R90 CarbonylContact O-C 3.54Å; N68-R90 WeakPolarHBondContact CA-O 3.31Å; L88-R90 PolarHBondContact O-N 3.08Å; R90-E92 PolarHBondContact O-N 3.02Å; R90-E92 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 91.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | -66.6 | 110.8 | 179.8 | -164.1 | 69.2 | 0 | 0 | 0 | 110.4 | V67 L70 F84 L88 Q93 L94 L111 H113 L114 | V67-L91 HydrophobicContact CG1-CD1 4.28Å; L70-L91 HydrophobicContact CB-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD2 4.33Å; F84-L91 HydrophobicContact CE2-CD2 4.49Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD2 4.3Å; L88-L91 PolarHBondContact O-N 3.46Å; L91-Q93 WeakPolarHBondContact CD1-O 3.27Å; L91-L94 HydrophobicContact CD2-CB 3.99Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 HydrophobicContact CD2-CD2 4.4Å; L91-L94 HydrophobicContact CD2-CG 4.42Å; L91-L111 HydrophobicContact CB-CD2 4.29Å; L91-L111 HydrophobicContact CD2-CD2 3.91Å; L91-H113 CarbonylContact O-C 3.27Å; L91-H113 VanDerWaalsContact O-C 3.3Å; L91-L114 HydrophobicContact CG-CD1 4.42Å; L91-L114 VanDerWaalsContact O-CA 3.31Å; L91-L114 WeakPolarHBondContact O-CA 3.37Å; L91-L114 PolarHBondContact O-N 3.06Å | ||
| 92 | E | 93.9 | Very high | 87.8 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | trans | -95.1 | -23.6 | 176.5 | -59.8 | -176.4 | 115.9 | 0 | 0 | 111.5 | N68 R90 Q115 V116 | N68-E92 HydrophobicContact CB-CG 4.32Å; N68-E92 PolarHBondContact ND2-OE2 2.82Å; N68-E92 PolarHBondContact O-N 2.75Å; R90-E92 PolarHBondContact O-N 3.02Å; R90-E92 VanDerWaalsContact O-N 3.08Å; E92-Q115 WeakPolarHBondContact O-CA 3.37Å; E92-Q115 WeakPolarHBondContact O-CB 3.25Å; E92-Q115 PolarHBondContact O-N 2.77Å; E92-Q115 PolarHBondContact OE1-NE2 3.31Å; E92-V116 PolarHBondContact O-N 3.17Å | ||
| 93 | Q | 94.8 | Very high | 88.7 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 122.2 | -172.1 | -68.2 | -169.9 | -2.5 | 0 | 0 | 111.1 | N68 H69 L70 L91 V116 W118 | N68-Q93 PolarHBondContact O-N 2.92Å; H69-Q93 WeakPolarHBondContact CA-O 3.17Å; H69-Q93 HydrophobicContact CB-CB 4.15Å; H69-Q93 PolarHBondContact ND1-OE1 3.35Å; L70-Q93 PolarHBondContact N-O 2.99Å; L91-Q93 WeakPolarHBondContact CD1-O 3.27Å; Q93-V116 WeakPolarHBondContact CA-O 3.45Å; Q93-V116 HydrophobicContact CG-CB 4.21Å; Q93-V116 HydrophobicContact CG-CG2 4.3Å; Q93-W118 HydrophobicContact CB-CZ3 4.04Å; Q93-W118 HydrophobicContact CG-CH2 4.45Å; Q93-W118 HydrophobicContact CG-CZ3 4.4Å |
| 94 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.8 | 178.6 | 177.4 | 56.8 | 0 | 0 | 0 | 110.2 | L70 I72 F84 L91 M96 L107 L111 L114 V116 L117 W118 | L70-L94 HydrophobicContact CB-CD1 4.28Å; L70-L94 HydrophobicContact CD2-CD1 4.16Å; L70-L94 HydrophobicContact CG-CD1 4.33Å; I72-L94 HydrophobicContact CD1-CD1 4.32Å; I72-L94 HydrophobicContact CG1-CD1 4.25Å; F84-L94 HydrophobicContact CE2-CD2 4.46Å; F84-L94 HydrophobicContact CZ-CD2 3.87Å; L91-L94 HydrophobicContact CD2-CB 3.99Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 HydrophobicContact CD2-CD2 4.4Å; L91-L94 HydrophobicContact CD2-CG 4.42Å; L94-M96 HydrophobicContact CD1-CG 3.73Å; L94-M96 HydrophobicContact CD1-SD 3.91Å; L94-M96 HydrophobicContact CD2-CG 4.44Å; L94-M96 HydrophobicContact CD2-SD 3.85Å; L94-M96 HydrophobicContact CG-CG 3.87Å; L94-M96 HydrophobicContact CG-SD 3.94Å; L94-L107 HydrophobicContact CD2-CD2 4.39Å; L94-L111 HydrophobicContact CD2-CD1 3.99Å; L94-L114 HydrophobicContact CB-CD1 3.6Å; L94-L114 HydrophobicContact CB-CD2 4.43Å; L94-V116 PolarHBondContact N-O 2.88Å; L94-L117 HydrophobicContact CB-CD1 4.06Å; L94-L117 HydrophobicContact CD2-CD1 4.01Å; L94-L117 HydrophobicContact CG-CD1 3.97Å; L94-L117 WeakPolarHBondContact O-CA 3.17Å; L94-W118 PolarHBondContact O-N 3.01Å |
| 95 | K | 94.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.9 | -180 | -177.1 | 173.1 | 176.4 | -130.7 | 0 | 110 | L70 E71 I72 W118 | L70-K95 PolarHBondContact O-N 3.06Å; E71-K95 WeakPolarHBondContact CA-O 3.44Å; E71-K95 HydrophobicContact CB-CB 4.21Å; E71-K95 HydrophobicContact CG-CB 4.26Å; E71-K95 HydrophobicContact CG-CD 4.12Å; E71-K95 HydrophobicContact CG-CG 4.12Å; E71-K95 WeakPolarHBondContact OE1-CE 3.38Å; E71-K95 IonicContact OE1-NZ 2.69Å; E71-K95 PolarHBondContact OE1-NZ 3.07Å; E71-K95 WeakPolarHBondContact OE2-CD 3.35Å; E71-K95 IonicContact OE2-NZ 2.74Å; E71-K95 PolarHBondContact OE2-NZ 3.25Å; I72-K95 PolarHBondContact N-O 2.98Å; K95-W118 HydrophobicContact CB-CB 4.4Å; K95-W118 HydrophobicContact CB-CE3 3.87Å; K95-W118 HydrophobicContact CG-CB 4.11Å; K95-W118 HydrophobicContact CG-CE3 4.4Å |
| 96 | M | 90.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -130 | 29.3 | -173.6 | -59 | -169.2 | 62.8 | 0 | 0 | 113.5 | I72 V74 L81 L94 N98 S99 V101 L107 W118 M119 C122 | I72-M96 HydrophobicContact CD1-CE 3.84Å; I72-M96 HydrophobicContact CD1-CG 4.41Å; I72-M96 HydrophobicContact CD1-SD 4.11Å; I72-M96 HydrophobicContact CG1-CE 4.03Å; I72-M96 HydrophobicContact CG1-CG 3.86Å; I72-M96 HydrophobicContact CG1-SD 4.22Å; I72-M96 VanDerWaalsContact O-CA 3.31Å; I72-M96 WeakPolarHBondContact O-CA 3.06Å; V74-M96 HydrophobicContact CB-CE 4.3Å; V74-M96 HydrophobicContact CG2-CE 4.15Å; L81-M96 HydrophobicContact CD1-CE 3.85Å; L81-M96 HydrophobicContact CD2-CE 3.89Å; L94-M96 HydrophobicContact CD1-CG 3.73Å; L94-M96 HydrophobicContact CD1-SD 3.91Å; L94-M96 HydrophobicContact CD2-CG 4.44Å; L94-M96 HydrophobicContact CD2-SD 3.85Å; L94-M96 HydrophobicContact CG-CG 3.87Å; L94-M96 HydrophobicContact CG-SD 3.94Å; M96-N98 PolarHBondContact O-N 2.87Å; M96-S99 WeakPolarHBondContact O-CB 3.29Å; M96-S99 PolarHBondContact O-N 2.97Å; M96-S99 VanDerWaalsContact O-N 3.08Å; M96-S99 PolarHBondContact O-OG 2.97Å; M96-V101 HydrophobicContact CE-CG2 4.33Å; M96-L107 HydrophobicContact CE-CD2 4.21Å; M96-L107 HydrophobicContact SD-CD2 3.58Å; M96-L107 VanDerWaalsContact SD-CD2 3.58Å; M96-W118 PolarHBondContact N-O 3.45Å; M96-M119 HydrophobicContact CB-CG 4.26Å; M96-C122 PolarHBondContact O-SG 3.07Å | ||
| 97 | N | 90.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 136.6 | -176.6 | -62.6 | 15.4 | 0 | 0 | 0 | 112.4 | S99 W118 S120 | N97-S99 VanDerWaalsContact C-N 3.28Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-W118 WeakPolarHBondContact OD1-CB 3.31Å; N97-W118 PolarHBondContact OD1-O 2.9Å; N97-S120 CarbonylContact C-O 3.57Å; N97-S120 WeakPolarHBondContact CA-O 3.5Å; N97-S120 PolarHBondContact ND2-OG 2.99Å; N97-S120 PolarHBondContact OD1-N 3.32Å |
| 98 | N | 89.4 | Confident | 89.6 | Confident | 103 Ų | 103 | 47 Ų | 47 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 24 | -173.9 | -39.9 | -64.1 | 0 | 0 | 0 | 114.7 | M96 S120 | M96-N98 PolarHBondContact O-N 2.87Å; N98-S120 PolarHBondContact N-O 3.25Å |
| 99 | S | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -94.5 | 126.8 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | I72 C73 V74 M96 N97 V101 C122 | I72-S99 PolarHBondContact O-OG 3.5Å; C73-S99 WeakPolarHBondContact CA-OG 3.33Å; V74-S99 PolarHBondContact N-OG 2.85Å; V74-S99 CarbonylContact O-C 3.4Å; V74-S99 WeakPolarHBondContact O-CA 3.08Å; V74-S99 WeakPolarHBondContact O-CB 3.38Å; M96-S99 WeakPolarHBondContact O-CB 3.29Å; M96-S99 PolarHBondContact O-N 2.97Å; M96-S99 VanDerWaalsContact O-N 3.08Å; M96-S99 PolarHBondContact O-OG 2.97Å; N97-S99 VanDerWaalsContact C-N 3.28Å; N97-S99 PolarHBondContact O-N 2.9Å; S99-V101 PolarHBondContact O-N 2.77Å; S99-V101 VanDerWaalsContact O-N 3.07Å; S99-C122 CarbonylContact O-C 3.57Å; S99-C122 WeakPolarHBondContact O-CA 3.06Å; S99-C122 WeakPolarHBondContact O-CB 3.48Å; S99-C122 PolarHBondContact O-SG 3.46Å | ||
| 100 | F | 88 | Confident | 89.2 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -70.4 | 107.9 | 173.2 | -64.2 | -73.6 | 0 | 0 | 0 | 110 | V74 D75 T76 C123 | V74-F100 PolarHBondContact O-N 3.08Å; D75-F100 HydrophobicContact CB-CB 4.43Å; D75-F100 HydrophobicContact CB-CD2 4.33Å; D75-F100 WeakPolarHBondContact OD2-CD2 3.05Å; T76-F100 PolarHBondContact N-O 2.83Å; T76-F100 PolarHBondContact OG1-O 3.38Å; F100-C123 HydrophobicContact CD1-CB 4.38Å |
| 101 | V | 89.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -141.3 | 105.5 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | T76 L81 M96 S99 S103 D106 M119 C122 L124 | T76-V101 HydrophobicContact CG2-CG1 4.44Å; T76-V101 HydrophobicContact CG2-CG2 4.08Å; L81-V101 HydrophobicContact CD1-CG2 4.18Å; M96-V101 HydrophobicContact CE-CG2 4.33Å; S99-V101 PolarHBondContact O-N 2.77Å; S99-V101 VanDerWaalsContact O-N 3.07Å; V101-S103 WeakPolarHBondContact CG1-O 3.4Å; V101-D106 HydrophobicContact CG1-CB 4.29Å; V101-M119 HydrophobicContact CB-CE 3.65Å; V101-M119 HydrophobicContact CG1-CE 3.74Å; V101-M119 HydrophobicContact CG2-CE 4.04Å; V101-C122 PolarHBondContact N-O 2.84Å; V101-L124 VanDerWaalsContact O-CA 3.31Å; V101-L124 WeakPolarHBondContact O-CA 3.43Å; V101-L124 WeakPolarHBondContact O-CD1 3.39Å | ||
| 102 | M | 88.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -80.3 | -27.7 | -173 | -66.1 | -171.8 | 68.8 | 0 | 0 | 114 | Q125 D126 | M102-Q125 PolarHBondContact O-N 3.13Å; M102-Q125 VanDerWaalsContact O-N 3.14Å; M102-D126 PolarHBondContact O-N 2.81Å |
| 103 | S | 89.4 | Confident | 88.7 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -139.8 | 141 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | V101 R105 D106 D126 S128 | V101-S103 WeakPolarHBondContact CG1-O 3.4Å; S103-R105 PolarHBondContact O-N 3.27Å; S103-R105 VanDerWaalsContact O-N 3.13Å; S103-D106 PolarHBondContact O-N 3.09Å; S103-D126 WeakPolarHBondContact CA-O 3.48Å; S103-D126 PolarHBondContact OG-OD2 3.38Å; S103-S128 PolarHBondContact OG-O 2.99Å; S103-S128 PolarHBondContact OG-OG 2.89Å |
| 104 | L | 88.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -63.2 | -18.1 | 177.6 | -67.6 | 177.6 | 0 | 0 | 0 | 113.1 | D106 L107 L117 M119 L124 D126 L127 S128 I130 | L104-D106 PolarHBondContact O-N 3.05Å; L104-L107 HydrophobicContact CB-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.47Å; L104-L107 PolarHBondContact O-N 2.98Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å; L104-M119 HydrophobicContact CD2-CE 3.89Å; L104-M119 HydrophobicContact CD2-SD 3.39Å; L104-M119 WeakPolarHBondContact CD2-SD 3.29Å; L104-L124 HydrophobicContact CD1-CD2 4.47Å; L104-L124 HydrophobicContact CD2-CD1 4.07Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CG-CD1 4.05Å; L104-L124 HydrophobicContact CG-CD2 4.07Å; L104-D126 PolarHBondContact N-O 3.04Å; L104-L127 HydrophobicContact CD1-CB 4.27Å; L104-L127 HydrophobicContact CD1-CD2 3.93Å; L104-S128 CarbonylContact C-O 3.01Å; L104-I130 HydrophobicContact CD1-CB 3.74Å; L104-I130 HydrophobicContact CD1-CD1 3.87Å; L104-I130 HydrophobicContact CD1-CG1 3.86Å |
| 105 | R | 88.1 | Confident | 88.8 | Confident | 168 Ų | 168 | 46.9 Ų | 46.9 | 63% | 0.634 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -59.2 | -28.2 | 175.5 | -164.8 | -175.7 | -56.1 | -148 | 2.6 | 113.1 | S103 L107 G108 S128 | S103-R105 PolarHBondContact O-N 3.27Å; S103-R105 VanDerWaalsContact O-N 3.13Å; R105-L107 PolarHBondContact O-N 2.84Å; R105-G108 PolarHBondContact O-N 2.85Å; R105-S128 WeakPolarHBondContact CA-O 3.26Å; R105-S128 WeakPolarHBondContact CB-O 3.39Å; R105-S128 PolarHBondContact N-O 3.06Å; R105-S128 PolarHBondContact NE-OG 2.71Å; R105-S128 PolarHBondContact NH2-OG 2.89Å |
| 106 | D | 87 | Confident | 88.9 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.7 | 178.3 | -69.2 | -12.9 | 0 | 0 | 0 | 111.9 | T76 L81 G82 V101 S103 L104 G108 | T76-D106 WeakPolarHBondContact CB-OD2 3.45Å; T76-D106 HydrophobicContact CG2-CB 4.04Å; T76-D106 PolarHBondContact OG1-OD2 2.56Å; L81-D106 VanDerWaalsContact CB-O 3.29Å; L81-D106 WeakPolarHBondContact CB-O 3.46Å; L81-D106 HydrophobicContact CD1-CB 4.37Å; G82-D106 PolarHBondContact N-O 3.34Å; V101-D106 HydrophobicContact CG1-CB 4.29Å; S103-D106 PolarHBondContact O-N 3.09Å; L104-D106 PolarHBondContact O-N 3.05Å; D106-G108 PolarHBondContact O-N 3.37Å |
| 107 | L | 84.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -73.1 | -7.6 | 179.5 | -57.3 | 168.3 | 0 | 0 | 0 | 114.1 | L81 F84 L94 M96 L104 R105 L111 L117 M119 F133 | L81-L107 HydrophobicContact CD1-CD2 3.94Å; F84-L107 HydrophobicContact CE1-CB 4.45Å; F84-L107 HydrophobicContact CE1-CD2 4.14Å; F84-L107 HydrophobicContact CZ-CD2 4.37Å; L94-L107 HydrophobicContact CD2-CD2 4.39Å; M96-L107 HydrophobicContact CE-CD2 4.21Å; M96-L107 HydrophobicContact SD-CD2 3.58Å; M96-L107 VanDerWaalsContact SD-CD2 3.58Å; L104-L107 HydrophobicContact CB-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.47Å; L104-L107 PolarHBondContact O-N 2.98Å; L104-L107 VanDerWaalsContact O-N 3.13Å; R105-L107 PolarHBondContact O-N 2.84Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L117 HydrophobicContact CD1-CD2 4.48Å; L107-M119 HydrophobicContact CD1-SD 4.29Å; L107-F133 HydrophobicContact CB-CZ 4.25Å; L107-F133 HydrophobicContact CD1-CE2 4.32Å; L107-F133 HydrophobicContact CD1-CZ 4Å |
| 108 | G | 84.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | trans | 74.4 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R105 D106 | R105-G108 PolarHBondContact O-N 2.85Å; D106-G108 PolarHBondContact O-N 3.37Å | ||
| 109 | T | 85.5 | Confident | 89.6 | Confident | 100 Ų | 100 | 40.5 Ų | 40.5 | 61% | 0.613 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -106.5 | 9.2 | -173.4 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | D83 T132 | D83-T109 PolarHBondContact OD1-N 3.5Å; T109-T132 HydrophobicContact CG2-CG2 4.07Å |
| 110 | T | 84.1 | Confident | 89.7 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 28% | 0.282 | 21% | 0.21 | S | C | . | . | trans | -98.3 | 0.6 | -164.2 | 45 | 0 | 0 | 0 | 0 | 114.9 | D83 G85 A86 S112 | D83-T110 HydrophobicContact CB-CG2 4.05Å; G85-T110 WeakPolarHBondContact CA-OG1 3.44Å; G85-T110 PolarHBondContact N-OG1 3.26Å; A86-T110 HydrophobicContact CB-CG2 4.43Å; A86-T110 PolarHBondContact N-OG1 2.77Å; T110-S112 PolarHBondContact O-N 2.97Å | ||
| 111 | L | 88 | Confident | 89.9 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -94.6 | 43.3 | -174.8 | -63.9 | 173.1 | 0 | 0 | 0 | 113.6 | F84 G85 L91 L94 L107 H113 L114 F133 | F84-L111 HydrophobicContact CE1-CD1 4.36Å; F84-L111 HydrophobicContact CE2-CD1 4.49Å; F84-L111 HydrophobicContact CE2-CD2 4.5Å; F84-L111 HydrophobicContact CZ-CD1 3.89Å; G85-L111 VanDerWaalsContact CA-CD2 3.46Å; L91-L111 HydrophobicContact CB-CD2 4.29Å; L91-L111 HydrophobicContact CD2-CD2 3.91Å; L94-L111 HydrophobicContact CD2-CD1 3.99Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.09Å; L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.43Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-F133 HydrophobicContact CB-CD1 4.05Å; L111-F133 HydrophobicContact CB-CE1 3.92Å; L111-F133 HydrophobicContact CD1-CE1 4.31Å | ||
| 112 | S | 86.8 | Confident | 89.9 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.8 | -173.4 | 59.6 | 0 | 0 | 0 | 0 | 115.5 | T110 S135 | T110-S112 PolarHBondContact O-N 2.97Å; S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.33Å; S112-S135 PolarHBondContact O-OG 2.81Å |
| 113 | H | 90.6 | Very high | 89.9 | Confident | 101 Ų | 101 | 39.7 Ų | 39.7 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.4 | 179.2 | -71.9 | -58.7 | 0 | 0 | 0 | 114.5 | P89 L91 L111 Q115 | P89-H113 PolarHBondContact O-CD2 2.89Å; L91-H113 CarbonylContact O-C 3.27Å; L91-H113 VanDerWaalsContact O-C 3.3Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.09Å; H113-Q115 PolarHBondContact O-N 2.86Å |
| 114 | L | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -66.4 | 125.8 | -178.6 | -169.2 | 69 | 0 | 0 | 0 | 111 | L91 L94 L111 L117 F133 S135 L136 | L91-L114 HydrophobicContact CG-CD1 4.42Å; L91-L114 VanDerWaalsContact O-CA 3.31Å; L91-L114 WeakPolarHBondContact O-CA 3.37Å; L91-L114 PolarHBondContact O-N 3.06Å; L94-L114 HydrophobicContact CB-CD1 3.6Å; L94-L114 HydrophobicContact CB-CD2 4.43Å; L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.43Å; L111-L114 PolarHBondContact O-N 3.09Å; L114-L117 HydrophobicContact CD2-CB 4.2Å; L114-L117 HydrophobicContact CD2-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD2 4.45Å; L114-F133 HydrophobicContact CD2-CD1 4.46Å; L114-F133 HydrophobicContact CD2-CG 4.47Å; L114-S135 CarbonylContact O-C 3.52Å; L114-S135 VanDerWaalsContact O-CB 3.31Å; L114-S135 WeakPolarHBondContact O-CB 3.44Å; L114-L136 HydrophobicContact CD2-CD1 4.42Å; L114-L136 VanDerWaalsContact O-CA 3.31Å; L114-L136 WeakPolarHBondContact O-CA 3.46Å; L114-L136 PolarHBondContact O-N 2.85Å; L114-L136 VanDerWaalsContact O-N 3.14Å | ||
| 115 | Q | 95.2 | Very high | 90.1 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | trans | -111.9 | -32.2 | -177.5 | -70 | 170 | 67.1 | 0 | 0 | 112.1 | E92 H113 K137 E138 | E92-Q115 WeakPolarHBondContact O-CA 3.37Å; E92-Q115 WeakPolarHBondContact O-CB 3.25Å; E92-Q115 PolarHBondContact O-N 2.77Å; E92-Q115 PolarHBondContact OE1-NE2 3.31Å; H113-Q115 PolarHBondContact O-N 2.86Å; Q115-K137 HydrophobicContact CB-CD 4.32Å; Q115-K137 HydrophobicContact CG-CD 4.28Å; Q115-K137 PolarHBondContact O-N 3.13Å; Q115-E138 PolarHBondContact O-N 3.21Å; Q115-E138 VanDerWaalsContact O-N 3.08Å | ||
| 116 | V | 96.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.5 | 179.1 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | E92 Q93 L94 W118 E138 Y140 | E92-V116 PolarHBondContact O-N 3.17Å; Q93-V116 WeakPolarHBondContact CA-O 3.45Å; Q93-V116 HydrophobicContact CG-CB 4.21Å; Q93-V116 HydrophobicContact CG-CG2 4.3Å; L94-V116 PolarHBondContact N-O 2.88Å; V116-W118 HydrophobicContact CB-CH2 4Å; V116-W118 HydrophobicContact CB-CZ2 4.4Å; V116-W118 HydrophobicContact CB-CZ3 4.13Å; V116-W118 HydrophobicContact CG1-CD2 3.9Å; V116-W118 HydrophobicContact CG1-CE3 3.91Å; V116-W118 HydrophobicContact CG1-CH2 3.44Å; V116-W118 VanDerWaalsContact CG1-CH2 3.44Å; V116-W118 HydrophobicContact CG1-CZ2 3.38Å; V116-W118 HydrophobicContact CG1-CZ3 3.71Å; V116-E138 WeakPolarHBondContact CA-O 3.31Å; V116-E138 HydrophobicContact CB-CB 4.41Å; V116-E138 HydrophobicContact CG1-CB 3.93Å; V116-E138 HydrophobicContact CG2-CB 4.13Å; V116-E138 HydrophobicContact CG2-CG 4.41Å; V116-Y140 HydrophobicContact CG1-CD2 4.11Å; V116-Y140 HydrophobicContact CG1-CE2 3.74Å |
| 117 | L | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.8 | 177.1 | -179.7 | 56.2 | 0 | 0 | 0 | 110.2 | L94 L104 L107 L114 M119 F133 L136 E138 L139 Y140 | L94-L117 HydrophobicContact CB-CD1 4.06Å; L94-L117 HydrophobicContact CD2-CD1 4.01Å; L94-L117 HydrophobicContact CG-CD1 3.97Å; L94-L117 WeakPolarHBondContact O-CA 3.17Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å; L107-L117 HydrophobicContact CD1-CD2 4.48Å; L114-L117 HydrophobicContact CD2-CB 4.2Å; L114-L117 HydrophobicContact CD2-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD2 4.45Å; L117-M119 HydrophobicContact CD1-CG 3.84Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 HydrophobicContact CD2-SD 3.96Å; L117-M119 HydrophobicContact CG-CG 4.06Å; L117-M119 HydrophobicContact CG-SD 4.07Å; L117-F133 HydrophobicContact CD2-CE2 4.43Å; L117-L136 HydrophobicContact CB-CD1 4.08Å; L117-L136 HydrophobicContact CD2-CD1 4.38Å; L117-E138 PolarHBondContact N-O 3.36Å; L117-L139 HydrophobicContact CB-CD1 3.98Å; L117-L139 HydrophobicContact CD2-CD1 3.9Å; L117-L139 HydrophobicContact CG-CD1 4.1Å; L117-Y140 PolarHBondContact O-N 2.74Å |
| 118 | W | 95.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 22% | 0.216 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.6 | 170.2 | -59.5 | -88.9 | 0 | 0 | 0 | 110.5 | Q93 L94 K95 M96 N97 V116 Y140 | Q93-W118 HydrophobicContact CB-CZ3 4.04Å; Q93-W118 HydrophobicContact CG-CH2 4.45Å; Q93-W118 HydrophobicContact CG-CZ3 4.4Å; L94-W118 PolarHBondContact O-N 3.01Å; K95-W118 HydrophobicContact CB-CB 4.4Å; K95-W118 HydrophobicContact CB-CE3 3.87Å; K95-W118 HydrophobicContact CG-CB 4.11Å; K95-W118 HydrophobicContact CG-CE3 4.4Å; M96-W118 PolarHBondContact N-O 3.45Å; N97-W118 WeakPolarHBondContact OD1-CB 3.31Å; N97-W118 PolarHBondContact OD1-O 2.9Å; V116-W118 HydrophobicContact CB-CH2 4Å; V116-W118 HydrophobicContact CB-CZ2 4.4Å; V116-W118 HydrophobicContact CB-CZ3 4.13Å; V116-W118 HydrophobicContact CG1-CD2 3.9Å; V116-W118 HydrophobicContact CG1-CE3 3.91Å; V116-W118 HydrophobicContact CG1-CH2 3.44Å; V116-W118 VanDerWaalsContact CG1-CH2 3.44Å; V116-W118 HydrophobicContact CG1-CZ2 3.38Å; V116-W118 HydrophobicContact CG1-CZ3 3.71Å; W118-Y140 AromaticContact CD1-CD2 3.26Å; W118-Y140 AromaticContact CD1-CE2 3.91Å; W118-Y140 AromaticContact CD1-CG 3.42Å; W118-Y140 VanDerWaalsContact CD1-CG 3.42Å; W118-Y140 HydrophobicContact CD2-CD2 4.38Å; W118-Y140 AromaticContact CE2-CD2 3.97Å; W118-Y140 AromaticContact CE2-CE2 3.93Å; W118-Y140 AromaticContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CG 4.37Å; W118-Y140 HydrophobicContact CZ2-CE2 4.41Å; W118-Y140 AromaticContact NE1-CD2 3.2Å; W118-Y140 AromaticContact NE1-CE2 3.31Å; W118-Y140 VanDerWaalsContact NE1-CE2 3.31Å; W118-Y140 AromaticContact NE1-CG 3.68Å; W118-Y140 AromaticContact NE1-CZ 3.88Å |
| 119 | M | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -138.5 | 58.1 | 177 | -66.5 | -178 | 64.5 | 0 | 0 | 110.1 | M96 V101 L104 L107 L117 C122 L124 Y140 L141 N144 | M96-M119 HydrophobicContact CB-CG 4.26Å; V101-M119 HydrophobicContact CB-CE 3.65Å; V101-M119 HydrophobicContact CG1-CE 3.74Å; V101-M119 HydrophobicContact CG2-CE 4.04Å; L104-M119 HydrophobicContact CD2-CE 3.89Å; L104-M119 HydrophobicContact CD2-SD 3.39Å; L104-M119 WeakPolarHBondContact CD2-SD 3.29Å; L107-M119 HydrophobicContact CD1-SD 4.29Å; L117-M119 HydrophobicContact CD1-CG 3.84Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 HydrophobicContact CD2-SD 3.96Å; L117-M119 HydrophobicContact CG-CG 4.06Å; L117-M119 HydrophobicContact CG-SD 4.07Å; M119-C122 VanDerWaalsContact CA-SG 3.52Å; M119-C122 HydrophobicContact CB-CB 4.21Å; M119-C122 HydrophobicContact CE-CB 4.19Å; M119-C122 PolarHBondContact O-SG 2.8Å; M119-C122 VanDerWaalsContact O-SG 3.41Å; M119-L124 HydrophobicContact CE-CD1 4.37Å; M119-L124 HydrophobicContact CE-CD2 4.45Å; M119-Y140 PolarHBondContact N-O 3.17Å; M119-L141 HydrophobicContact CB-CD2 3.82Å; M119-N144 PolarHBondContact O-ND2 2.85Å | ||
| 120 | S | 92.7 | Very high | 90.7 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 134.7 | 176.2 | -44.1 | 0 | 0 | 0 | 0 | 111.3 | N97 N98 P142 | N97-S120 CarbonylContact C-O 3.57Å; N97-S120 WeakPolarHBondContact CA-O 3.5Å; N97-S120 PolarHBondContact ND2-OG 2.99Å; N97-S120 PolarHBondContact OD1-N 3.32Å; N98-S120 PolarHBondContact N-O 3.25Å; S120-P142 WeakPolarHBondContact CA-O 3.41Å; S120-P142 WeakPolarHBondContact OG-CG 3.31Å |
| 121 | H | 90.6 | Very high | 90.9 | Very high | 95 Ų | 95 | 32 Ų | 32 | 44% | 0.44 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 48 | 179.5 | -59 | -68.4 | 0 | 0 | 0 | 114.9 | P142 Y143 | H121-P142 PolarHBondContact N-O 2.83Å; H121-Y143 WeakPolarHBondContact CE1-CB 3.21Å; H121-Y143 AromaticContact CE1-CD1 3.98Å; H121-Y143 AromaticContact CE1-CD2 3.76Å; H121-Y143 AromaticContact CE1-CG 3.39Å; H121-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H121-Y143 AromaticContact ND1-CG 3.85Å |
| 122 | C | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -101.8 | -0.8 | -175.6 | -67.3 | 0 | 0 | 0 | 0 | 115.2 | M96 S99 V101 M119 L124 N144 | M96-C122 PolarHBondContact O-SG 3.07Å; S99-C122 CarbonylContact O-C 3.57Å; S99-C122 WeakPolarHBondContact O-CA 3.06Å; S99-C122 WeakPolarHBondContact O-CB 3.48Å; S99-C122 PolarHBondContact O-SG 3.46Å; V101-C122 PolarHBondContact N-O 2.84Å; M119-C122 VanDerWaalsContact CA-SG 3.52Å; M119-C122 HydrophobicContact CB-CB 4.21Å; M119-C122 HydrophobicContact CE-CB 4.19Å; M119-C122 PolarHBondContact O-SG 2.8Å; M119-C122 VanDerWaalsContact O-SG 3.41Å; C122-L124 PolarHBondContact O-N 2.82Å; C122-N144 VanDerWaalsContact CA-OD1 3.3Å; C122-N144 WeakPolarHBondContact CA-OD1 3.41Å; C122-N144 WeakPolarHBondContact CB-OD1 3.16Å; C122-N144 PolarHBondContact N-OD1 2.78Å | ||
| 123 | C | 89.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 31 Ų | 31 | 34% | 0.338 | 17% | 0.166 | S | C | . | . | trans | 55.9 | 27.1 | -170.8 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | F100 Q125 N144 | F100-C123 HydrophobicContact CD1-CB 4.38Å; C123-Q125 PolarHBondContact O-N 2.9Å; C123-N144 PolarHBondContact N-OD1 3.13Å; C123-N144 VanDerWaalsContact N-OD1 3.09Å | ||
| 124 | L | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -64.7 | 128 | 178.6 | -172.2 | 69.1 | 0 | 0 | 0 | 110 | V101 L104 M119 C122 L127 L141 N144 N145 V146 | V101-L124 VanDerWaalsContact O-CA 3.31Å; V101-L124 WeakPolarHBondContact O-CA 3.43Å; V101-L124 WeakPolarHBondContact O-CD1 3.39Å; L104-L124 HydrophobicContact CD1-CD2 4.47Å; L104-L124 HydrophobicContact CD2-CD1 4.07Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CG-CD1 4.05Å; L104-L124 HydrophobicContact CG-CD2 4.07Å; M119-L124 HydrophobicContact CE-CD1 4.37Å; M119-L124 HydrophobicContact CE-CD2 4.45Å; C122-L124 PolarHBondContact O-N 2.82Å; L124-L127 HydrophobicContact CD2-CD2 3.72Å; L124-L127 HydrophobicContact CG-CD2 4.35Å; L124-L141 HydrophobicContact CD2-CD1 4.07Å; L124-L141 HydrophobicContact CD2-CD2 3.75Å; L124-L141 HydrophobicContact CD2-CG 4.48Å; L124-N144 HydrophobicContact CB-CB 4.1Å; L124-N144 WeakPolarHBondContact CB-OD1 3.38Å; L124-N144 PolarHBondContact N-OD1 3.24Å; L124-N145 CarbonylContact O-C 3.6Å; L124-N145 VanDerWaalsContact O-C 3.27Å; L124-N145 WeakPolarHBondContact O-CA 3.45Å; L124-N145 PolarHBondContact O-N 3.29Å; L124-V146 HydrophobicContact CD2-CG2 4.32Å; L124-V146 HydrophobicContact CG-CG2 4.32Å; L124-V146 PolarHBondContact O-N 2.88Å | ||
| 125 | Q | 89.5 | Confident | 90.9 | Very high | 103 Ų | 103 | 33 Ų | 33 | 48% | 0.481 | 18% | 0.183 | S | C | . | . | trans | -115.7 | -40.1 | -179.4 | -71.3 | 175 | 13.6 | 0 | 0 | 111.8 | M102 C123 N145 | M102-Q125 PolarHBondContact O-N 3.13Å; M102-Q125 VanDerWaalsContact O-N 3.14Å; C123-Q125 PolarHBondContact O-N 2.9Å; Q125-N145 HydrophobicContact CG-CB 3.76Å | ||
| 126 | D | 88.2 | Confident | 90.9 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -116.2 | 133.2 | -177.1 | 165.6 | 45.1 | 0 | 0 | 0 | 110.8 | M102 S103 L104 S128 Q151 | M102-D126 PolarHBondContact O-N 2.81Å; S103-D126 WeakPolarHBondContact CA-O 3.48Å; S103-D126 PolarHBondContact OG-OD2 3.38Å; L104-D126 PolarHBondContact N-O 3.04Å; D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 VanDerWaalsContact CG-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.3Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 WeakPolarHBondContact OD2-CB 3.06Å; D126-S128 PolarHBondContact OD2-N 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.78Å; D126-Q151 PolarHBondContact OD1-NE2 2.83Å |
| 127 | L | 90.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -87.3 | 4 | 177.8 | -58.6 | -176.5 | 0 | 0 | 0 | 113.2 | L104 L124 G129 I130 L141 V146 L149 Q151 V152 | L104-L127 HydrophobicContact CD1-CB 4.27Å; L104-L127 HydrophobicContact CD1-CD2 3.93Å; L124-L127 HydrophobicContact CD2-CD2 3.72Å; L124-L127 HydrophobicContact CG-CD2 4.35Å; L127-G129 PolarHBondContact O-N 3.32Å; L127-I130 HydrophobicContact CB-CG2 4.31Å; L127-I130 WeakPolarHBondContact O-CB 3.43Å; L127-I130 WeakPolarHBondContact O-CG2 3.31Å; L127-I130 PolarHBondContact O-N 2.93Å; L127-L141 HydrophobicContact CD2-CD1 3.72Å; L127-V146 HydrophobicContact CD1-CG1 3.93Å; L127-V146 HydrophobicContact CD2-CG1 4.15Å; L127-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CG-CG1 3.97Å; L127-L149 HydrophobicContact CD1-CD2 4.33Å; L127-Q151 HydrophobicContact CB-CB 4.4Å; L127-V152 HydrophobicContact CD1-CG2 3.4Å | ||
| 128 | S | 88.7 | Confident | 90.9 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 134.9 | -172.4 | 80.7 | 0 | 0 | 0 | 0 | 113.1 | S103 L104 R105 D126 Q151 | S103-S128 PolarHBondContact OG-O 2.99Å; S103-S128 PolarHBondContact OG-OG 2.89Å; L104-S128 CarbonylContact C-O 3.01Å; R105-S128 WeakPolarHBondContact CA-O 3.26Å; R105-S128 WeakPolarHBondContact CB-O 3.39Å; R105-S128 PolarHBondContact N-O 3.06Å; R105-S128 PolarHBondContact NE-OG 2.71Å; R105-S128 PolarHBondContact NH2-OG 2.89Å; D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 VanDerWaalsContact CG-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.3Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 WeakPolarHBondContact OD2-CB 3.06Å; D126-S128 PolarHBondContact OD2-N 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.78Å; S128-Q151 VanDerWaalsContact CB-OE1 3.28Å |
| 129 | G | 85.7 | Confident | 90.9 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -17.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L127 S131 T132 | L127-G129 PolarHBondContact O-N 3.32Å; G129-S131 PolarHBondContact O-N 2.94Å; G129-S131 VanDerWaalsContact O-N 3.14Å; G129-T132 WeakPolarHBondContact O-CB 3.45Å; G129-T132 WeakPolarHBondContact O-CG2 3.3Å; G129-T132 PolarHBondContact O-N 2.82Å; G129-T132 PolarHBondContact O-OG1 3.44Å |
| 130 | I | 90.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -57.9 | -31.4 | -178.4 | -161.2 | 170.8 | 0 | 0 | 0 | 114.1 | L104 L127 T132 F133 L139 Q151 L155 | L104-I130 HydrophobicContact CD1-CB 3.74Å; L104-I130 HydrophobicContact CD1-CD1 3.87Å; L104-I130 HydrophobicContact CD1-CG1 3.86Å; L127-I130 HydrophobicContact CB-CG2 4.31Å; L127-I130 WeakPolarHBondContact O-CB 3.43Å; L127-I130 WeakPolarHBondContact O-CG2 3.31Å; L127-I130 PolarHBondContact O-N 2.93Å; I130-T132 PolarHBondContact O-N 2.85Å; I130-F133 HydrophobicContact CG1-CD2 4.2Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-F133 VanDerWaalsContact O-N 3.09Å; I130-L139 HydrophobicContact CD1-CD2 3.57Å; I130-Q151 HydrophobicContact CG2-CB 4.14Å; I130-L155 HydrophobicContact CD1-CD1 3.75Å; I130-L155 HydrophobicContact CG1-CD1 3.92Å; I130-L155 HydrophobicContact CG1-CD2 4.42Å; I130-L155 HydrophobicContact CG1-CG 4.44Å |
| 131 | S | 87.1 | Confident | 91.2 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 34% | 0.343 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -68.9 | 8.9 | 175.6 | 54.1 | 0 | 0 | 0 | 0 | 115 | G129 M154 | G129-S131 PolarHBondContact O-N 2.94Å; G129-S131 VanDerWaalsContact O-N 3.14Å; S131-M154 WeakPolarHBondContact CB-SD 3.23Å |
| 132 | T | 87.4 | Confident | 91.4 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -98 | -6.8 | 168.9 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | T109 G129 I130 D134 | T109-T132 HydrophobicContact CG2-CG2 4.07Å; G129-T132 WeakPolarHBondContact O-CB 3.45Å; G129-T132 WeakPolarHBondContact O-CG2 3.3Å; G129-T132 PolarHBondContact O-N 2.82Å; G129-T132 PolarHBondContact O-OG1 3.44Å; I130-T132 PolarHBondContact O-N 2.85Å; T132-D134 PolarHBondContact O-N 3.09Å |
| 133 | F | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -100.3 | 59 | -178.4 | -47.5 | -43.3 | 0 | 0 | 0 | 111.4 | L107 L111 L114 L117 I130 S135 L136 | L107-F133 HydrophobicContact CB-CZ 4.25Å; L107-F133 HydrophobicContact CD1-CE2 4.32Å; L107-F133 HydrophobicContact CD1-CZ 4Å; L111-F133 HydrophobicContact CB-CD1 4.05Å; L111-F133 HydrophobicContact CB-CE1 3.92Å; L111-F133 HydrophobicContact CD1-CE1 4.31Å; L114-F133 HydrophobicContact CD2-CD1 4.46Å; L114-F133 HydrophobicContact CD2-CG 4.47Å; L117-F133 HydrophobicContact CD2-CE2 4.43Å; I130-F133 HydrophobicContact CG1-CD2 4.2Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-F133 VanDerWaalsContact O-N 3.09Å; F133-S135 PolarHBondContact O-N 3.23Å; F133-L136 HydrophobicContact CB-CB 3.93Å; F133-L136 HydrophobicContact CB-CD1 3.77Å; F133-L136 HydrophobicContact CB-CG 4.49Å; F133-L136 HydrophobicContact CD2-CD1 3.94Å; F133-L136 HydrophobicContact CG-CD1 4.19Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.04Å | ||
| 134 | D | 88.1 | Confident | 91.7 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 59% | 0.594 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.8 | -175.4 | -59.1 | -32.6 | 0 | 0 | 0 | 114.2 | T132 L136 N157 | T132-D134 PolarHBondContact O-N 3.09Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-N157 PolarHBondContact O-ND2 2.87Å |
| 135 | S | 92.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.1 | -178.5 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | S112 L114 F133 | S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.33Å; S112-S135 PolarHBondContact O-OG 2.81Å; L114-S135 CarbonylContact O-C 3.52Å; L114-S135 VanDerWaalsContact O-CB 3.31Å; L114-S135 WeakPolarHBondContact O-CB 3.44Å; F133-S135 PolarHBondContact O-N 3.23Å |
| 136 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -73.3 | 128.5 | -165.8 | -158.7 | 155.7 | 0 | 0 | 0 | 112 | L114 L117 F133 D134 L139 L155 N157 L158 | L114-L136 HydrophobicContact CD2-CD1 4.42Å; L114-L136 VanDerWaalsContact O-CA 3.31Å; L114-L136 WeakPolarHBondContact O-CA 3.46Å; L114-L136 PolarHBondContact O-N 2.85Å; L114-L136 VanDerWaalsContact O-N 3.14Å; L117-L136 HydrophobicContact CB-CD1 4.08Å; L117-L136 HydrophobicContact CD2-CD1 4.38Å; F133-L136 HydrophobicContact CB-CB 3.93Å; F133-L136 HydrophobicContact CB-CD1 3.77Å; F133-L136 HydrophobicContact CB-CG 4.49Å; F133-L136 HydrophobicContact CD2-CD1 3.94Å; F133-L136 HydrophobicContact CG-CD1 4.19Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.04Å; D134-L136 VanDerWaalsContact C-N 3.34Å; L136-L139 HydrophobicContact CD2-CB 3.84Å; L136-L155 HydrophobicContact CD2-CD1 4.46Å; L136-N157 CarbonylContact O-C 3.59Å; L136-N157 VanDerWaalsContact O-C 3.25Å; L136-L158 HydrophobicContact CD2-CD1 3.69Å; L136-L158 PolarHBondContact O-N 2.8Å | ||
| 137 | K | 95.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 32.9 Ų | 32.9 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | trans | -118.2 | -32.2 | -174.1 | -66.3 | 161.4 | -163.8 | 173.4 | 0 | 112.5 | Q115 R159 L160 | Q115-K137 HydrophobicContact CB-CD 4.32Å; Q115-K137 HydrophobicContact CG-CD 4.28Å; Q115-K137 PolarHBondContact O-N 3.13Å; K137-R159 WeakPolarHBondContact O-CA 3.47Å; K137-R159 WeakPolarHBondContact O-CB 3.36Å; K137-R159 PolarHBondContact O-N 3.36Å; K137-L160 PolarHBondContact O-N 3.03Å | ||
| 138 | E | 96.7 | Very high | 92.2 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 119.9 | -175.6 | -57 | 176.9 | -155.3 | 0 | 0 | 109.7 | Q115 V116 L117 Y140 L160 | Q115-E138 PolarHBondContact O-N 3.21Å; Q115-E138 VanDerWaalsContact O-N 3.08Å; V116-E138 WeakPolarHBondContact CA-O 3.31Å; V116-E138 HydrophobicContact CB-CB 4.41Å; V116-E138 HydrophobicContact CG1-CB 3.93Å; V116-E138 HydrophobicContact CG2-CB 4.13Å; V116-E138 HydrophobicContact CG2-CG 4.41Å; L117-E138 PolarHBondContact N-O 3.36Å; E138-Y140 HydrophobicContact CB-CD2 4.44Å; E138-Y140 HydrophobicContact CB-CE2 3.67Å; E138-Y140 PolarHBondContact OE2-OH 3.23Å; E138-L160 WeakPolarHBondContact CA-O 3.44Å; E138-L160 HydrophobicContact CB-CB 4.33Å; E138-L160 HydrophobicContact CG-CB 4.12Å |
| 139 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.4 | -177.8 | -176 | 59 | 0 | 0 | 0 | 109.5 | L117 I130 L136 L141 L158 L160 L161 D162 | L117-L139 HydrophobicContact CB-CD1 3.98Å; L117-L139 HydrophobicContact CD2-CD1 3.9Å; L117-L139 HydrophobicContact CG-CD1 4.1Å; I130-L139 HydrophobicContact CD1-CD2 3.57Å; L136-L139 HydrophobicContact CD2-CB 3.84Å; L139-L141 HydrophobicContact CD1-CD1 4.3Å; L139-L141 HydrophobicContact CD1-CD2 3.93Å; L139-L141 HydrophobicContact CD1-CG 4.01Å; L139-L141 HydrophobicContact CD2-CD1 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.39Å; L139-L141 HydrophobicContact CG-CD1 4.04Å; L139-L141 HydrophobicContact CG-CD2 4.39Å; L139-L141 HydrophobicContact CG-CG 3.9Å; L139-L158 HydrophobicContact CB-CD1 3.9Å; L139-L160 PolarHBondContact N-O 3.37Å; L139-L161 HydrophobicContact CB-CD1 4.04Å; L139-L161 HydrophobicContact CD2-CD1 3.75Å; L139-L161 HydrophobicContact CG-CD1 4.05Å; L139-D162 PolarHBondContact O-N 2.86Å |
| 140 | Y | 96.2 | Very high | 92.6 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 103.9 | -179.7 | -56 | -97.9 | 0 | 0 | 0 | 109.9 | V116 L117 W118 M119 E138 P142 L160 D162 | V116-Y140 HydrophobicContact CG1-CD2 4.11Å; V116-Y140 HydrophobicContact CG1-CE2 3.74Å; L117-Y140 PolarHBondContact O-N 2.74Å; W118-Y140 AromaticContact CD1-CD2 3.26Å; W118-Y140 AromaticContact CD1-CE2 3.91Å; W118-Y140 AromaticContact CD1-CG 3.42Å; W118-Y140 VanDerWaalsContact CD1-CG 3.42Å; W118-Y140 HydrophobicContact CD2-CD2 4.38Å; W118-Y140 AromaticContact CE2-CD2 3.97Å; W118-Y140 AromaticContact CE2-CE2 3.93Å; W118-Y140 AromaticContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CG 4.37Å; W118-Y140 HydrophobicContact CZ2-CE2 4.41Å; W118-Y140 AromaticContact NE1-CD2 3.2Å; W118-Y140 AromaticContact NE1-CE2 3.31Å; W118-Y140 VanDerWaalsContact NE1-CE2 3.31Å; W118-Y140 AromaticContact NE1-CG 3.68Å; W118-Y140 AromaticContact NE1-CZ 3.88Å; M119-Y140 PolarHBondContact N-O 3.17Å; E138-Y140 HydrophobicContact CB-CD2 4.44Å; E138-Y140 HydrophobicContact CB-CE2 3.67Å; E138-Y140 PolarHBondContact OE2-OH 3.23Å; Y140-P142 WeakPolarHBondContact O-CD 3.27Å; Y140-L160 HydrophobicContact CD1-CD2 3.85Å; Y140-L160 HydrophobicContact CE1-CD1 4.22Å; Y140-L160 HydrophobicContact CE1-CD2 3.41Å; Y140-L160 VanDerWaalsContact CE1-CD2 3.41Å; Y140-L160 HydrophobicContact CE1-CG 4.49Å; Y140-L160 HydrophobicContact CE2-CD2 4.2Å; Y140-L160 HydrophobicContact CG-CD2 4.41Å; Y140-D162 HydrophobicContact CD1-CB 3.88Å; Y140-D162 HydrophobicContact CG-CB 4.48Å |
| 141 | L | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -116.7 | 37.5 | 179.5 | -55.9 | 178 | 0 | 0 | 0 | 113.5 | M119 L124 L127 L139 N144 V146 D162 L163 N166 | M119-L141 HydrophobicContact CB-CD2 3.82Å; L124-L141 HydrophobicContact CD2-CD1 4.07Å; L124-L141 HydrophobicContact CD2-CD2 3.75Å; L124-L141 HydrophobicContact CD2-CG 4.48Å; L127-L141 HydrophobicContact CD2-CD1 3.72Å; L139-L141 HydrophobicContact CD1-CD1 4.3Å; L139-L141 HydrophobicContact CD1-CD2 3.93Å; L139-L141 HydrophobicContact CD1-CG 4.01Å; L139-L141 HydrophobicContact CD2-CD1 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.39Å; L139-L141 HydrophobicContact CG-CD1 4.04Å; L139-L141 HydrophobicContact CG-CD2 4.39Å; L139-L141 HydrophobicContact CG-CG 3.9Å; L141-N144 PolarHBondContact O-ND2 3.44Å; L141-V146 HydrophobicContact CD1-CG2 4.47Å; L141-D162 PolarHBondContact N-O 3.09Å; L141-L163 HydrophobicContact CB-CD2 4.28Å; L141-L163 HydrophobicContact CD1-CD2 4.17Å; L141-N166 PolarHBondContact O-ND2 2.83Å | ||
| 142 | P | 94.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 142.5 | -173.9 | 32.2 | -37.4 | 0 | 0 | 0 | 111.5 | S120 H121 Y140 N144 D162 E164 | S120-P142 WeakPolarHBondContact CA-O 3.41Å; S120-P142 WeakPolarHBondContact OG-CG 3.31Å; H121-P142 PolarHBondContact N-O 2.83Å; Y140-P142 WeakPolarHBondContact O-CD 3.27Å; P142-N144 PolarHBondContact O-ND2 3.14Å; P142-D162 WeakPolarHBondContact CD-OD2 3.29Å; P142-D162 WeakPolarHBondContact CG-OD2 3.35Å; P142-E164 CarbonylContact C-O 3.56Å; P142-E164 VanDerWaalsContact CA-O 3.31Å; P142-E164 WeakPolarHBondContact CA-O 3.31Å; P142-E164 HydrophobicContact CB-CB 3.85Å |
| 143 | Y | 93.4 | Very high | 92.6 | Very high | 113 Ų | 113 | 35 Ų | 35 | 44% | 0.443 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 48.7 | -178.5 | -58.8 | -89.5 | 0 | 0 | 0 | 114.4 | H121 E164 | H121-Y143 WeakPolarHBondContact CE1-CB 3.21Å; H121-Y143 AromaticContact CE1-CD1 3.98Å; H121-Y143 AromaticContact CE1-CD2 3.76Å; H121-Y143 AromaticContact CE1-CG 3.39Å; H121-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H121-Y143 AromaticContact ND1-CG 3.85Å; Y143-E164 HydrophobicContact CE2-CG 4.28Å; Y143-E164 VanDerWaalsContact CE2-OE1 3.29Å; Y143-E164 WeakPolarHBondContact CE2-OE1 3.34Å; Y143-E164 PolarHBondContact N-O 3.4Å; Y143-E164 PolarHBondContact OH-OE1 3.47Å |
| 144 | N | 93.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | trans | -109.7 | -169.4 | 169.5 | -74.3 | -72.7 | 0 | 0 | 0 | 111.5 | M119 C122 C123 L124 L141 P142 V146 N166 | M119-N144 PolarHBondContact O-ND2 2.85Å; C122-N144 VanDerWaalsContact CA-OD1 3.3Å; C122-N144 WeakPolarHBondContact CA-OD1 3.41Å; C122-N144 WeakPolarHBondContact CB-OD1 3.16Å; C122-N144 PolarHBondContact N-OD1 2.78Å; C123-N144 PolarHBondContact N-OD1 3.13Å; C123-N144 VanDerWaalsContact N-OD1 3.09Å; L124-N144 HydrophobicContact CB-CB 4.1Å; L124-N144 WeakPolarHBondContact CB-OD1 3.38Å; L124-N144 PolarHBondContact N-OD1 3.24Å; L141-N144 PolarHBondContact O-ND2 3.44Å; P142-N144 PolarHBondContact O-ND2 3.14Å; N144-V146 HydrophobicContact CB-CG2 4.26Å; N144-N166 WeakPolarHBondContact CA-OD1 3.29Å; N144-N166 VanDerWaalsContact CB-OD1 3.23Å; N144-N166 WeakPolarHBondContact CB-OD1 3.31Å; N144-N166 PolarHBondContact O-OD1 3.12Å | ||
| 145 | N | 93.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 36 Ų | 36 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | trans | -117.1 | 26.9 | -177.4 | -67 | 110.3 | 0 | 0 | 0 | 112.3 | L124 Q125 | L124-N145 CarbonylContact O-C 3.6Å; L124-N145 VanDerWaalsContact O-C 3.27Å; L124-N145 WeakPolarHBondContact O-CA 3.45Å; L124-N145 PolarHBondContact O-N 3.29Å; Q125-N145 HydrophobicContact CG-CB 3.76Å | ||
| 146 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -69.8 | 131.8 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | L124 L127 L141 N144 L149 N166 C167 V168 | L124-V146 HydrophobicContact CD2-CG2 4.32Å; L124-V146 HydrophobicContact CG-CG2 4.32Å; L124-V146 PolarHBondContact O-N 2.88Å; L127-V146 HydrophobicContact CD1-CG1 3.93Å; L127-V146 HydrophobicContact CD2-CG1 4.15Å; L127-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CG-CG1 3.97Å; L141-V146 HydrophobicContact CD1-CG2 4.47Å; N144-V146 HydrophobicContact CB-CG2 4.26Å; V146-L149 HydrophobicContact CG1-CD2 3.86Å; V146-N166 WeakPolarHBondContact CB-OD1 3.37Å; V146-N166 WeakPolarHBondContact CG2-OD1 3.31Å; V146-N166 PolarHBondContact N-OD1 3.31Å; V146-N166 VanDerWaalsContact N-OD1 3.14Å; V146-C167 CarbonylContact O-C 3.3Å; V146-C167 WeakPolarHBondContact O-CA 3.41Å; V146-C167 WeakPolarHBondContact O-CB 3.41Å; V146-C167 PolarHBondContact O-N 3.25Å; V146-V168 PolarHBondContact O-N 3.37Å | ||
| 147 | S | 90.8 | Very high | 92.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -125.6 | -34.9 | 174.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | Q173 | S147-Q173 WeakPolarHBondContact O-CG 3.46Š| ||
| 148 | D | 91.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | trans | -89.4 | 124.2 | 174.8 | 176 | 31.6 | 0 | 0 | 0 | 111.5 | S150 Q151 Q173 | D148-S150 VanDerWaalsContact CG-OG 3.27Å; D148-S150 WeakPolarHBondContact OD1-CB 3.39Å; D148-S150 PolarHBondContact OD1-N 3.21Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; D148-S150 PolarHBondContact OD2-OG 3.36Å; D148-S150 VanDerWaalsContact OD2-OG 3.11Å; D148-Q151 PolarHBondContact OD2-NE2 2.99Å; D148-Q151 VanDerWaalsContact OD2-NE2 3.1Å; D148-Q173 PolarHBondContact OD1-OE1 2.99Å | ||
| 149 | L | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -113.6 | -0.6 | 178 | -59.1 | -177.6 | 0 | 0 | 0 | 112.7 | L127 V146 Q151 V152 L163 V168 Q173 L177 | L127-L149 HydrophobicContact CD1-CD2 4.33Å; V146-L149 HydrophobicContact CG1-CD2 3.86Å; L149-Q151 PolarHBondContact O-N 3.14Å; L149-V152 HydrophobicContact CB-CG2 4.44Å; L149-V152 HydrophobicContact CD2-CG2 4.32Å; L149-V152 WeakPolarHBondContact O-CB 3.36Å; L149-V152 PolarHBondContact O-N 3.28Å; L149-L163 HydrophobicContact CD1-CD1 3.95Å; L149-L163 HydrophobicContact CD2-CD1 3.72Å; L149-L163 HydrophobicContact CD2-CD2 4.24Å; L149-V168 HydrophobicContact CD1-CG1 4.08Å; L149-V168 HydrophobicContact CD1-CG2 4Å; L149-V168 HydrophobicContact CD2-CG2 4.28Å; L149-V168 HydrophobicContact CG-CG2 4.17Å; L149-Q173 HydrophobicContact CB-CB 4.34Å; L149-Q173 HydrophobicContact CD1-CB 4.29Å; L149-Q173 HydrophobicContact CG-CB 4.31Å; L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD1 4.05Å; L149-L177 HydrophobicContact CD1-CD2 4.33Å; L149-L177 HydrophobicContact CD1-CG 4.22Å | ||
| 150 | S | 90.9 | Very high | 92.1 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -30.4 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | D148 A153 Y176 | D148-S150 VanDerWaalsContact CG-OG 3.27Å; D148-S150 WeakPolarHBondContact OD1-CB 3.39Å; D148-S150 PolarHBondContact OD1-N 3.21Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; D148-S150 PolarHBondContact OD2-OG 3.36Å; D148-S150 VanDerWaalsContact OD2-OG 3.11Å; S150-A153 WeakPolarHBondContact O-CB 3.49Å; S150-Y176 VanDerWaalsContact CA-CD2 3.45Å |
| 151 | Q | 88.3 | Confident | 92.1 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.5 | -176.6 | -45.2 | -176.9 | 40.1 | 0 | 0 | 112.7 | D126 L127 S128 I130 D148 L149 A153 M154 | D126-Q151 PolarHBondContact OD1-NE2 2.83Å; L127-Q151 HydrophobicContact CB-CB 4.4Å; S128-Q151 VanDerWaalsContact CB-OE1 3.28Å; I130-Q151 HydrophobicContact CG2-CB 4.14Å; D148-Q151 PolarHBondContact OD2-NE2 2.99Å; D148-Q151 VanDerWaalsContact OD2-NE2 3.1Å; L149-Q151 PolarHBondContact O-N 3.14Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.02Å; Q151-M154 PolarHBondContact O-N 2.68Å |
| 152 | V | 89.5 | Confident | 92.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -67.8 | -28.4 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | L127 L149 M154 L155 L158 L161 L177 C180 | L127-V152 HydrophobicContact CD1-CG2 3.4Å; L149-V152 HydrophobicContact CB-CG2 4.44Å; L149-V152 HydrophobicContact CD2-CG2 4.32Å; L149-V152 WeakPolarHBondContact O-CB 3.36Å; L149-V152 PolarHBondContact O-N 3.28Å; V152-M154 PolarHBondContact O-N 2.67Å; V152-L155 WeakPolarHBondContact O-CB 3.21Å; V152-L155 PolarHBondContact O-N 2.99Å; V152-L158 HydrophobicContact CG1-CD2 3.65Å; V152-L161 HydrophobicContact CG1-CD2 4.05Å; V152-L177 HydrophobicContact CB-CD2 3.98Å; V152-L177 HydrophobicContact CG1-CD2 3.75Å; V152-C180 PolarHBondContact O-SG 3.28Å; V152-C180 VanDerWaalsContact O-SG 3.39Å |
| 153 | A | 88.1 | Confident | 92.1 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -56.3 | -17.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S150 Q151 L155 L179 | S150-A153 WeakPolarHBondContact O-CB 3.49Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.02Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L179 HydrophobicContact CB-CB 4.03Å; A153-L179 HydrophobicContact CB-CD1 3.77Å; A153-L179 HydrophobicContact CB-CG 4.48Å |
| 154 | M | 87 | Confident | 92.2 | Very high | 126 Ų | 126 | 41.3 Ų | 41.3 | 62% | 0.621 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -78.4 | -12.3 | 176 | -60.4 | -170.4 | 69.6 | 0 | 0 | 113.8 | S131 Q151 V152 E156 | S131-M154 WeakPolarHBondContact CB-SD 3.23Å; Q151-M154 PolarHBondContact O-N 2.68Å; V152-M154 PolarHBondContact O-N 2.67Å; M154-E156 PolarHBondContact O-N 3.46Å |
| 155 | L | 90.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | trans | -87.8 | 83.7 | -176.2 | -64.3 | -178.9 | 0 | 0 | 0 | 112.6 | I130 L136 V152 A153 N157 L158 | I130-L155 HydrophobicContact CD1-CD1 3.75Å; I130-L155 HydrophobicContact CG1-CD1 3.92Å; I130-L155 HydrophobicContact CG1-CD2 4.42Å; I130-L155 HydrophobicContact CG1-CG 4.44Å; L136-L155 HydrophobicContact CD2-CD1 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.21Å; V152-L155 PolarHBondContact O-N 2.99Å; A153-L155 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 2.82Å; L155-L158 HydrophobicContact CB-CB 3.87Å; L155-L158 HydrophobicContact CD1-CB 4.45Å; L155-L158 HydrophobicContact CD1-CD1 4.26Å; L155-L158 HydrophobicContact CD1-CD2 4.13Å; L155-L158 PolarHBondContact O-N 2.81Å | ||
| 156 | E | 88.6 | Confident | 92.2 | Very high | 143 Ų | 143 | 39.3 Ų | 39.3 | 67% | 0.668 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.6 | 178 | -64.3 | -170.1 | 174.5 | 0 | 0 | 113.7 | M154 N182 | M154-E156 PolarHBondContact O-N 3.46Å; E156-N182 PolarHBondContact O-ND2 2.81Å |
| 157 | N | 92.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.5 | -174 | -76.7 | -59.2 | 0 | 0 | 0 | 115.2 | D134 L136 L155 | D134-N157 PolarHBondContact O-ND2 2.87Å; L136-N157 CarbonylContact O-C 3.59Å; L136-N157 VanDerWaalsContact O-C 3.25Å; L155-N157 PolarHBondContact O-N 2.82Å |
| 158 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -64.6 | 135.9 | -175.7 | -169.7 | 67.2 | 0 | 0 | 0 | 111.6 | L136 L139 V152 L155 L160 L161 N182 L183 | L136-L158 HydrophobicContact CD2-CD1 3.69Å; L136-L158 PolarHBondContact O-N 2.8Å; L139-L158 HydrophobicContact CB-CD1 3.9Å; V152-L158 HydrophobicContact CG1-CD2 3.65Å; L155-L158 HydrophobicContact CB-CB 3.87Å; L155-L158 HydrophobicContact CD1-CB 4.45Å; L155-L158 HydrophobicContact CD1-CD1 4.26Å; L155-L158 HydrophobicContact CD1-CD2 4.13Å; L155-L158 PolarHBondContact O-N 2.81Å; L158-L160 WeakPolarHBondContact CD1-O 3.35Å; L158-L161 HydrophobicContact CD2-CB 4.2Å; L158-L161 HydrophobicContact CD2-CD2 4.32Å; L158-N182 CarbonylContact O-C 3.55Å; L158-N182 VanDerWaalsContact O-CB 3.31Å; L158-N182 WeakPolarHBondContact O-CB 3.24Å; L158-L183 HydrophobicContact CD2-CD1 4.3Å; L158-L183 HydrophobicContact CG-CD1 4.26Å; L158-L183 WeakPolarHBondContact O-CA 3.49Å; L158-L183 PolarHBondContact O-N 2.93Å; L158-L183 VanDerWaalsContact O-N 3.1Å | ||
| 159 | R | 95.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 38.9 Ų | 38.9 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | trans | -125.9 | -37.5 | -177 | -61.6 | 176.4 | -178.1 | -169.7 | -4.2 | 112.8 | K137 N182 Q184 T185 | K137-R159 WeakPolarHBondContact O-CA 3.47Å; K137-R159 WeakPolarHBondContact O-CB 3.36Å; K137-R159 PolarHBondContact O-N 3.36Å; R159-N182 HydrophobicContact CG-CB 4.4Å; R159-Q184 PolarHBondContact O-N 2.92Å; R159-T185 PolarHBondContact O-N 3.41Å | ||
| 160 | L | 96.1 | Very high | 92 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.8 | 176.7 | -174.4 | 154.1 | 0 | 0 | 0 | 109.2 | K137 E138 L139 Y140 L158 D162 T185 | K137-L160 PolarHBondContact O-N 3.03Å; E138-L160 WeakPolarHBondContact CA-O 3.44Å; E138-L160 HydrophobicContact CB-CB 4.33Å; E138-L160 HydrophobicContact CG-CB 4.12Å; L139-L160 PolarHBondContact N-O 3.37Å; Y140-L160 HydrophobicContact CD1-CD2 3.85Å; Y140-L160 HydrophobicContact CE1-CD1 4.22Å; Y140-L160 HydrophobicContact CE1-CD2 3.41Å; Y140-L160 VanDerWaalsContact CE1-CD2 3.41Å; Y140-L160 HydrophobicContact CE1-CG 4.49Å; Y140-L160 HydrophobicContact CE2-CD2 4.2Å; Y140-L160 HydrophobicContact CG-CD2 4.41Å; L158-L160 WeakPolarHBondContact CD1-O 3.35Å; L160-D162 HydrophobicContact CD2-CB 4.21Å; L160-T185 WeakPolarHBondContact CA-O 3.38Å; L160-T185 HydrophobicContact CD1-CG2 4.04Å; L160-T185 HydrophobicContact CG-CG2 4Å |
| 161 | L | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.4 | 173.4 | 179.1 | 56.1 | 0 | 0 | 0 | 109.4 | L139 V152 L158 L163 L177 L183 T185 L186 T187 | L139-L161 HydrophobicContact CB-CD1 4.04Å; L139-L161 HydrophobicContact CD2-CD1 3.75Å; L139-L161 HydrophobicContact CG-CD1 4.05Å; V152-L161 HydrophobicContact CG1-CD2 4.05Å; L158-L161 HydrophobicContact CD2-CB 4.2Å; L158-L161 HydrophobicContact CD2-CD2 4.32Å; L161-L163 HydrophobicContact CD1-CD1 4.2Å; L161-L163 HydrophobicContact CD1-CD2 4.38Å; L161-L163 HydrophobicContact CD1-CG 3.95Å; L161-L163 HydrophobicContact CD2-CD1 3.8Å; L161-L163 HydrophobicContact CD2-CG 4.44Å; L161-L163 HydrophobicContact CG-CD1 3.86Å; L161-L163 HydrophobicContact CG-CG 3.96Å; L161-L177 HydrophobicContact CD2-CD1 3.94Å; L161-L177 HydrophobicContact CD2-CD2 3.5Å; L161-L177 HydrophobicContact CD2-CG 4.37Å; L161-L183 HydrophobicContact CB-CD1 3.89Å; L161-T185 PolarHBondContact N-O 3.14Å; L161-L186 HydrophobicContact CB-CD1 3.99Å; L161-L186 HydrophobicContact CD2-CD1 3.91Å; L161-L186 HydrophobicContact CG-CD1 3.91Å; L161-L186 CarbonylContact O-C 3.19Å; L161-L186 VanDerWaalsContact O-CA 3.29Å; L161-L186 WeakPolarHBondContact O-CA 3.47Å; L161-T187 PolarHBondContact O-N 3.14Å |
| 162 | D | 95.6 | Very high | 92 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117 | 172.9 | 165.5 | 29.4 | 0 | 0 | 0 | 109.7 | L139 Y140 L141 P142 L160 E164 | L139-D162 PolarHBondContact O-N 2.86Å; Y140-D162 HydrophobicContact CD1-CB 3.88Å; Y140-D162 HydrophobicContact CG-CB 4.48Å; L141-D162 PolarHBondContact N-O 3.09Å; P142-D162 WeakPolarHBondContact CD-OD2 3.29Å; P142-D162 WeakPolarHBondContact CG-OD2 3.35Å; L160-D162 HydrophobicContact CD2-CB 4.21Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 2.75Å |
| 163 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -123.5 | 25.4 | 178.8 | -70.6 | 166.4 | 0 | 0 | 0 | 110.8 | L141 L149 L161 G165 N166 T187 L188 N191 | L141-L163 HydrophobicContact CB-CD2 4.28Å; L141-L163 HydrophobicContact CD1-CD2 4.17Å; L149-L163 HydrophobicContact CD1-CD1 3.95Å; L149-L163 HydrophobicContact CD2-CD1 3.72Å; L149-L163 HydrophobicContact CD2-CD2 4.24Å; L161-L163 HydrophobicContact CD1-CD1 4.2Å; L161-L163 HydrophobicContact CD1-CD2 4.38Å; L161-L163 HydrophobicContact CD1-CG 3.95Å; L161-L163 HydrophobicContact CD2-CD1 3.8Å; L161-L163 HydrophobicContact CD2-CG 4.44Å; L161-L163 HydrophobicContact CG-CD1 3.86Å; L161-L163 HydrophobicContact CG-CG 3.96Å; L163-G165 PolarHBondContact O-N 2.98Å; L163-N166 VanDerWaalsContact C-ND2 3.32Å; L163-N166 WeakPolarHBondContact O-CB 3.21Å; L163-N166 PolarHBondContact O-N 2.92Å; L163-N166 PolarHBondContact O-ND2 2.94Å; L163-T187 CarbonylContact C-O 3.55Å; L163-T187 WeakPolarHBondContact CA-O 3.45Å; L163-T187 WeakPolarHBondContact CB-O 3.19Å; L163-T187 PolarHBondContact N-O 3.31Å; L163-L188 HydrophobicContact CB-CD2 3.89Å; L163-L188 HydrophobicContact CD1-CD2 3.91Å; L163-N191 PolarHBondContact O-ND2 2.84Å | ||
| 164 | E | 94.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 134.5 | 177.7 | -167.8 | -165.3 | 156.4 | 0 | 0 | 111.2 | P142 Y143 D162 N166 T187 E189 | P142-E164 CarbonylContact C-O 3.56Å; P142-E164 VanDerWaalsContact CA-O 3.31Å; P142-E164 WeakPolarHBondContact CA-O 3.31Å; P142-E164 HydrophobicContact CB-CB 3.85Å; Y143-E164 HydrophobicContact CE2-CG 4.28Å; Y143-E164 VanDerWaalsContact CE2-OE1 3.29Å; Y143-E164 WeakPolarHBondContact CE2-OE1 3.34Å; Y143-E164 PolarHBondContact N-O 3.4Å; Y143-E164 PolarHBondContact OH-OE1 3.47Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 2.75Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-ND2 3.1Å; E164-N166 VanDerWaalsContact O-ND2 3.09Å; E164-T187 HydrophobicContact CB-CG2 4.18Å; E164-E189 CarbonylContact C-O 3.56Å; E164-E189 WeakPolarHBondContact CA-O 3.31Å |
| 165 | G | 91.5 | Very high | 92.4 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 25.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L163 E189 | L163-G165 PolarHBondContact O-N 2.98Å; G165-E189 PolarHBondContact N-O 3.45Å |
| 166 | N | 94.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | trans | -90.1 | -173.5 | 177 | -83.4 | -92.1 | 0 | 0 | 0 | 113.5 | L141 N144 V146 L163 E164 N191 P192 | L141-N166 PolarHBondContact O-ND2 2.83Å; N144-N166 WeakPolarHBondContact CA-OD1 3.29Å; N144-N166 VanDerWaalsContact CB-OD1 3.23Å; N144-N166 WeakPolarHBondContact CB-OD1 3.31Å; N144-N166 PolarHBondContact O-OD1 3.12Å; V146-N166 WeakPolarHBondContact CB-OD1 3.37Å; V146-N166 WeakPolarHBondContact CG2-OD1 3.31Å; V146-N166 PolarHBondContact N-OD1 3.31Å; V146-N166 VanDerWaalsContact N-OD1 3.14Å; L163-N166 VanDerWaalsContact C-ND2 3.32Å; L163-N166 WeakPolarHBondContact O-CB 3.21Å; L163-N166 PolarHBondContact O-N 2.92Å; L163-N166 PolarHBondContact O-ND2 2.94Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-ND2 3.1Å; E164-N166 VanDerWaalsContact O-ND2 3.09Å; N166-N191 WeakPolarHBondContact CA-OD1 3.36Å; N166-N191 WeakPolarHBondContact CB-OD1 3.42Å; N166-N191 PolarHBondContact O-OD1 3.19Å; N166-P192 WeakPolarHBondContact O-CD 3.49Å | ||
| 167 | C | 92.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | trans | -104.9 | 20.5 | -173.9 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | V146 D169 | V146-C167 CarbonylContact O-C 3.3Å; V146-C167 WeakPolarHBondContact O-CA 3.41Å; V146-C167 WeakPolarHBondContact O-CB 3.41Å; V146-C167 PolarHBondContact O-N 3.25Å; C167-D169 PolarHBondContact O-N 3.18Å | ||
| 168 | V | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -70.6 | 118.7 | 179.8 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | V146 L149 Q173 N191 P192 V193 | V146-V168 PolarHBondContact O-N 3.37Å; L149-V168 HydrophobicContact CD1-CG1 4.08Å; L149-V168 HydrophobicContact CD1-CG2 4Å; L149-V168 HydrophobicContact CD2-CG2 4.28Å; L149-V168 HydrophobicContact CG-CG2 4.17Å; V168-Q173 HydrophobicContact CG1-CB 3.92Å; V168-N191 HydrophobicContact CB-CB 4.47Å; V168-N191 WeakPolarHBondContact CB-OD1 3.46Å; V168-N191 WeakPolarHBondContact CG2-OD1 3.22Å; V168-N191 PolarHBondContact N-OD1 3.21Å; V168-N191 VanDerWaalsContact N-OD1 3.16Å; V168-P192 VanDerWaalsContact O-CD 3.24Å; V168-P192 WeakPolarHBondContact O-CD 3.45Å; V168-V193 HydrophobicContact CB-CG1 4.26Å; V168-V193 HydrophobicContact CG1-CB 4.46Å; V168-V193 HydrophobicContact CG1-CG1 4.06Å; V168-V193 WeakPolarHBondContact O-CB 3.39Å; V168-V193 WeakPolarHBondContact O-CG1 3.26Å; V168-V193 PolarHBondContact O-N 3.24Å | ||
| 169 | D | 89.9 | Confident | 92.1 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | trans | -125.8 | 0.3 | -170.5 | 75.6 | -27.9 | 0 | 0 | 0 | 116.7 | C167 P192 R196 N198 P199 | C167-D169 PolarHBondContact O-N 3.18Å; D169-P192 HydrophobicContact CB-CB 3.64Å; D169-P192 HydrophobicContact CB-CG 4.14Å; D169-R196 IonicContact OD2-NH2 2.68Å; D169-N198 CarbonylContact O-C 3.25Å; D169-P199 WeakPolarHBondContact O-CD 3.49Å; D169-P199 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 170 | D | 89.8 | Confident | 91.9 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | trans | -131.3 | 134.7 | 177.2 | -161.1 | -38.8 | 0 | 0 | 0 | 111.7 | I172 Q173 | D170-I172 PolarHBondContact O-N 3.22Å; D170-I172 WeakPolarHBondContact OD1-CG1 3.3Å; D170-I172 PolarHBondContact OD1-N 3.14Å; D170-Q173 WeakPolarHBondContact O-CB 3.42Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact O-N 3.09Å | ||
| 171 | L | 87.7 | Confident | 91.5 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -26.2 | 172.2 | -79.3 | 172.8 | 0 | 0 | 0 | 113.4 | Q173 I174 Q175 V193 P197 Y207 A212 L216 | L171-Q173 PolarHBondContact O-N 2.85Å; L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.33Å; L171-I174 PolarHBondContact O-N 3.02Å; L171-Q175 PolarHBondContact O-N 2.92Å; L171-Q175 VanDerWaalsContact O-N 3.1Å; L171-V193 HydrophobicContact CD2-CG2 4.03Å; L171-V193 HydrophobicContact CG-CG2 4.14Å; L171-P197 WeakPolarHBondContact CB-O 3.13Å; L171-P197 HydrophobicContact CD1-CB 3.49Å; L171-P197 VanDerWaalsContact CD1-CB 3.49Å; L171-P197 HydrophobicContact CG-CB 4.26Å; L171-P197 VanDerWaalsContact CG-O 3.31Å; L171-P197 WeakPolarHBondContact CG-O 3.47Å; L171-P197 PolarHBondContact N-O 3.44Å; L171-Y207 HydrophobicContact CD1-CE2 4.34Å; L171-A212 HydrophobicContact CD1-CB 3.92Å; L171-A212 HydrophobicContact CD2-CB 3.91Å; L171-L216 HydrophobicContact CB-CD1 4.06Å; L171-L216 HydrophobicContact CD2-CD1 3.88Å; L171-L216 HydrophobicContact CG-CD1 4.48Å |
| 172 | I | 90.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -35 | 174.1 | -64.6 | 171.1 | 0 | 0 | 0 | 110.6 | D170 I174 Q175 Y176 | D170-I172 PolarHBondContact O-N 3.22Å; D170-I172 WeakPolarHBondContact OD1-CG1 3.3Å; D170-I172 PolarHBondContact OD1-N 3.14Å; I172-I174 VanDerWaalsContact C-N 3.31Å; I172-I174 PolarHBondContact O-N 3.36Å; I172-Q175 WeakPolarHBondContact O-CB 3.36Å; I172-Q175 PolarHBondContact O-N 3.39Å; I172-Y176 HydrophobicContact CG2-CE2 4.41Å |
| 173 | Q | 91.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -32.4 | 176.7 | -65.5 | -65.7 | -11.6 | 0 | 0 | 112.6 | S147 D148 L149 V168 D170 L171 Q175 Y176 | S147-Q173 WeakPolarHBondContact O-CG 3.46Å; D148-Q173 PolarHBondContact OD1-OE1 2.99Å; L149-Q173 HydrophobicContact CB-CB 4.34Å; L149-Q173 HydrophobicContact CD1-CB 4.29Å; L149-Q173 HydrophobicContact CG-CB 4.31Å; V168-Q173 HydrophobicContact CG1-CB 3.92Å; D170-Q173 WeakPolarHBondContact O-CB 3.42Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact O-N 3.09Å; L171-Q173 PolarHBondContact O-N 2.85Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Y176 PolarHBondContact O-N 3Å |
| 174 | I | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.1 | -29.3 | 175.5 | -59.8 | -173.4 | 0 | 0 | 0 | 111.1 | L171 I172 Y176 L177 G178 L188 V193 Y209 V213 L216 V217 | L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.33Å; L171-I174 PolarHBondContact O-N 3.02Å; I172-I174 VanDerWaalsContact C-N 3.31Å; I172-I174 PolarHBondContact O-N 3.36Å; I174-Y176 PolarHBondContact O-N 3.16Å; I174-L177 WeakPolarHBondContact O-CB 3.33Å; I174-L177 PolarHBondContact O-N 2.87Å; I174-G178 PolarHBondContact O-N 3.36Å; I174-L188 HydrophobicContact CD1-CD1 3.61Å; I174-L188 HydrophobicContact CG1-CD1 4.2Å; I174-V193 HydrophobicContact CD1-CG1 3.93Å; I174-V193 HydrophobicContact CD1-CG2 3.84Å; I174-Y209 HydrophobicContact CD1-CE2 4.19Å; I174-V213 HydrophobicContact CD1-CG2 3.66Å; I174-V213 HydrophobicContact CG2-CB 4.5Å; I174-V213 HydrophobicContact CG2-CG1 4.04Å; I174-V213 HydrophobicContact CG2-CG2 4.17Å; I174-L216 HydrophobicContact CB-CD1 4.26Å; I174-L216 HydrophobicContact CG2-CB 4.37Å; I174-L216 HydrophobicContact CG2-CD1 4.26Å; I174-V217 HydrophobicContact CG2-CG2 3.77Å |
| 175 | Q | 90.9 | Very high | 91.2 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.7 | -32.5 | 175.4 | -166 | 175.8 | 33.7 | 0 | 0 | 112.5 | L171 I172 Q173 L177 G178 L216 | L171-Q175 PolarHBondContact O-N 2.92Å; L171-Q175 VanDerWaalsContact O-N 3.1Å; I172-Q175 WeakPolarHBondContact O-CB 3.36Å; I172-Q175 PolarHBondContact O-N 3.39Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 2.92Å; Q175-G178 PolarHBondContact O-N 3.45Å; Q175-G178 VanDerWaalsContact O-N 3.1Å; Q175-L216 HydrophobicContact CB-CD2 4.16Å; Q175-L216 HydrophobicContact CG-CD2 4.12Å |
| 176 | Y | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 41.1 Ų | 41.1 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -31.2 | 174.2 | -60.6 | -56.4 | 0 | 0 | 0 | 113.1 | S150 I172 Q173 I174 G178 L179 | S150-Y176 VanDerWaalsContact CA-CD2 3.45Å; I172-Y176 HydrophobicContact CG2-CE2 4.41Å; Q173-Y176 PolarHBondContact O-N 3Å; I174-Y176 PolarHBondContact O-N 3.16Å; Y176-G178 PolarHBondContact O-N 2.54Å; Y176-L179 HydrophobicContact CD1-CD1 4.42Å; Y176-L179 WeakPolarHBondContact O-CB 3.2Å; Y176-L179 PolarHBondContact O-N 2.81Å; Y176-L179 VanDerWaalsContact O-N 3.14Å |
| 177 | L | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -25.5 | 173.3 | -55.1 | -176.9 | 0 | 0 | 0 | 112.2 | L149 V152 L161 I174 Q175 L179 C180 L183 L186 V217 | L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD1 4.05Å; L149-L177 HydrophobicContact CD1-CD2 4.33Å; L149-L177 HydrophobicContact CD1-CG 4.22Å; V152-L177 HydrophobicContact CB-CD2 3.98Å; V152-L177 HydrophobicContact CG1-CD2 3.75Å; L161-L177 HydrophobicContact CD2-CD1 3.94Å; L161-L177 HydrophobicContact CD2-CD2 3.5Å; L161-L177 HydrophobicContact CD2-CG 4.37Å; I174-L177 WeakPolarHBondContact O-CB 3.33Å; I174-L177 PolarHBondContact O-N 2.87Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 2.92Å; L177-L179 PolarHBondContact O-N 3.37Å; L177-C180 WeakPolarHBondContact O-CB 3.49Å; L177-C180 PolarHBondContact O-N 3.34Å; L177-C180 VanDerWaalsContact O-N 3.09Å; L177-L183 HydrophobicContact CB-CD2 4.03Å; L177-L186 HydrophobicContact CD1-CD1 3.77Å; L177-L186 HydrophobicContact CD1-CD2 3.76Å; L177-L186 HydrophobicContact CD1-CG 4.45Å; L177-V217 HydrophobicContact CB-CG2 4.15Å |
| 178 | G | 87.6 | Confident | 91.3 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I174 Q175 Y176 L216 Q219 | I174-G178 PolarHBondContact O-N 3.36Å; Q175-G178 PolarHBondContact O-N 3.45Å; Q175-G178 VanDerWaalsContact O-N 3.1Å; Y176-G178 PolarHBondContact O-N 2.54Å; G178-L216 WeakPolarHBondContact CA-O 3.43Å; G178-Q219 PolarHBondContact O-NE2 2.68Å |
| 179 | L | 90 | Very high | 91.2 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.3 | 175.6 | -57.7 | 173.6 | 0 | 0 | 0 | 113.3 | A153 Y176 L177 P181 | A153-L179 HydrophobicContact CB-CB 4.03Å; A153-L179 HydrophobicContact CB-CD1 3.77Å; A153-L179 HydrophobicContact CB-CG 4.48Å; Y176-L179 HydrophobicContact CD1-CD1 4.42Å; Y176-L179 WeakPolarHBondContact O-CB 3.2Å; Y176-L179 PolarHBondContact O-N 2.81Å; Y176-L179 VanDerWaalsContact O-N 3.14Å; L177-L179 PolarHBondContact O-N 3.37Å; L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.45Å |
| 180 | C | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -80.3 | 106.3 | -179 | -60.7 | 0 | 0 | 0 | 0 | 111 | V152 L177 N182 L183 Q219 | V152-C180 PolarHBondContact O-SG 3.28Å; V152-C180 VanDerWaalsContact O-SG 3.39Å; L177-C180 WeakPolarHBondContact O-CB 3.49Å; L177-C180 PolarHBondContact O-N 3.34Å; L177-C180 VanDerWaalsContact O-N 3.09Å; C180-N182 VanDerWaalsContact C-N 3.34Å; C180-N182 PolarHBondContact O-N 3.11Å; C180-L183 HydrophobicContact CB-CB 3.96Å; C180-L183 HydrophobicContact CB-CD2 4.48Å; C180-L183 PolarHBondContact O-N 3.11Å; C180-Q219 PolarHBondContact O-NE2 2.73Å | ||
| 181 | P | 87.9 | Confident | 91.2 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.3 | -166.3 | 30.7 | -36.4 | 0 | 0 | 0 | 114.2 | L179 | L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.45Å |
| 182 | N | 92.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -2.2 | -177.1 | -76.6 | -71.2 | 0 | 0 | 0 | 114.2 | E156 L158 R159 C180 Q184 | E156-N182 PolarHBondContact O-ND2 2.81Å; L158-N182 CarbonylContact O-C 3.55Å; L158-N182 VanDerWaalsContact O-CB 3.31Å; L158-N182 WeakPolarHBondContact O-CB 3.24Å; R159-N182 HydrophobicContact CG-CB 4.4Å; C180-N182 VanDerWaalsContact C-N 3.34Å; C180-N182 PolarHBondContact O-N 3.11Å; N182-Q184 WeakPolarHBondContact O-CG 3.49Å; N182-Q184 PolarHBondContact O-N 2.86Å; N182-Q184 PolarHBondContact O-NE2 2.8Å |
| 183 | L | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 122.3 | -173.8 | -175.1 | 64 | 0 | 0 | 0 | 110.9 | L158 L161 L177 C180 V217 Q219 L220 | L158-L183 HydrophobicContact CD2-CD1 4.3Å; L158-L183 HydrophobicContact CG-CD1 4.26Å; L158-L183 WeakPolarHBondContact O-CA 3.49Å; L158-L183 PolarHBondContact O-N 2.93Å; L158-L183 VanDerWaalsContact O-N 3.1Å; L161-L183 HydrophobicContact CB-CD1 3.89Å; L177-L183 HydrophobicContact CB-CD2 4.03Å; C180-L183 HydrophobicContact CB-CB 3.96Å; C180-L183 HydrophobicContact CB-CD2 4.48Å; C180-L183 PolarHBondContact O-N 3.11Å; L183-V217 HydrophobicContact CD2-CG1 4.28Å; L183-Q219 WeakPolarHBondContact O-CG 3.44Å; L183-L220 HydrophobicContact CG-CD1 4.31Å | ||
| 184 | Q | 93 | Very high | 91 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | trans | -124.9 | -31.7 | -171.9 | -75.9 | 164.6 | 72.4 | 0 | 0 | 113.1 | R159 N182 L220 R221 Y222 | R159-Q184 PolarHBondContact O-N 2.92Å; N182-Q184 WeakPolarHBondContact O-CG 3.49Å; N182-Q184 PolarHBondContact O-N 2.86Å; N182-Q184 PolarHBondContact O-NE2 2.8Å; Q184-L220 WeakPolarHBondContact O-CD1 3.33Å; Q184-R221 HydrophobicContact CB-CB 4.39Å; Q184-R221 HydrophobicContact CB-CG 4.25Å; Q184-R221 HydrophobicContact CG-CG 4.12Å; Q184-R221 CarbonylContact O-C 3.33Å; Q184-R221 WeakPolarHBondContact O-CA 3.38Å; Q184-R221 WeakPolarHBondContact O-CB 3.46Å; Q184-R221 PolarHBondContact O-N 2.92Å; Q184-Y222 PolarHBondContact O-N 2.66Å | ||
| 185 | T | 94.5 | Very high | 90.7 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.2 | 177.7 | -60 | 0 | 0 | 0 | 0 | 109.3 | R159 L160 L161 Y222 | R159-T185 PolarHBondContact O-N 3.41Å; L160-T185 WeakPolarHBondContact CA-O 3.38Å; L160-T185 HydrophobicContact CD1-CG2 4.04Å; L160-T185 HydrophobicContact CG-CG2 4Å; L161-T185 PolarHBondContact N-O 3.14Å; T185-Y222 WeakPolarHBondContact CA-O 3.33Å |
| 186 | L | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 126.1 | 178.5 | 177.9 | 59.6 | 0 | 0 | 0 | 108.7 | L161 L177 L188 V213 L220 Y222 L223 D224 | L161-L186 HydrophobicContact CB-CD1 3.99Å; L161-L186 HydrophobicContact CD2-CD1 3.91Å; L161-L186 HydrophobicContact CG-CD1 3.91Å; L161-L186 CarbonylContact O-C 3.19Å; L161-L186 VanDerWaalsContact O-CA 3.29Å; L161-L186 WeakPolarHBondContact O-CA 3.47Å; L177-L186 HydrophobicContact CD1-CD1 3.77Å; L177-L186 HydrophobicContact CD1-CD2 3.76Å; L177-L186 HydrophobicContact CD1-CG 4.45Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CG 4.03Å; L186-L188 HydrophobicContact CD2-CD1 3.72Å; L186-L188 HydrophobicContact CD2-CG 4.46Å; L186-L188 HydrophobicContact CG-CD1 3.88Å; L186-L188 HydrophobicContact CG-CG 4.09Å; L186-V213 HydrophobicContact CD2-CG1 4.14Å; L186-L220 HydrophobicContact CB-CD1 3.56Å; L186-L220 HydrophobicContact CB-CD2 3.92Å; L186-L220 HydrophobicContact CB-CG 4.39Å; L186-L220 HydrophobicContact CD2-CD2 4.27Å; L186-Y222 PolarHBondContact N-O 3.4Å; L186-L223 HydrophobicContact CB-CD1 4.36Å; L186-L223 HydrophobicContact CD2-CD1 4.31Å; L186-L223 HydrophobicContact CG-CD1 4.26Å; L186-L223 CarbonylContact O-C 3.59Å; L186-L223 VanDerWaalsContact O-CA 3.31Å; L186-L223 WeakPolarHBondContact O-CA 3.31Å; L186-D224 PolarHBondContact O-N 2.99Å |
| 187 | T | 94.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.6 | 171 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | L161 L163 E164 | L161-T187 PolarHBondContact O-N 3.14Å; L163-T187 CarbonylContact C-O 3.55Å; L163-T187 WeakPolarHBondContact CA-O 3.45Å; L163-T187 WeakPolarHBondContact CB-O 3.19Å; L163-T187 PolarHBondContact N-O 3.31Å; E164-T187 HydrophobicContact CB-CG2 4.18Å |
| 188 | L | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -133.6 | 8.8 | -178.2 | -85 | 168.7 | 0 | 0 | 0 | 111.7 | L163 I174 L186 N191 S194 Y209 D224 | L163-L188 HydrophobicContact CB-CD2 3.89Å; L163-L188 HydrophobicContact CD1-CD2 3.91Å; I174-L188 HydrophobicContact CD1-CD1 3.61Å; I174-L188 HydrophobicContact CG1-CD1 4.2Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CG 4.03Å; L186-L188 HydrophobicContact CD2-CD1 3.72Å; L186-L188 HydrophobicContact CD2-CG 4.46Å; L186-L188 HydrophobicContact CG-CD1 3.88Å; L186-L188 HydrophobicContact CG-CG 4.09Å; L188-N191 WeakPolarHBondContact O-CB 3.34Å; L188-N191 PolarHBondContact O-N 3.12Å; L188-N191 PolarHBondContact O-ND2 3.09Å; L188-S194 PolarHBondContact O-OG 3.1Å; L188-Y209 WeakPolarHBondContact CB-OH 3.4Å; L188-Y209 VanDerWaalsContact CD1-OH 3.3Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.42Å; L188-D224 PolarHBondContact N-OD1 2.79Å | ||
| 189 | E | 90.9 | Very high | 89.1 | Confident | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 144.4 | 173.4 | -178.4 | 161.8 | -174.2 | 0 | 0 | 111.9 | E164 G165 N191 D224 | E164-E189 CarbonylContact C-O 3.56Å; E164-E189 WeakPolarHBondContact CA-O 3.31Å; G165-E189 PolarHBondContact N-O 3.45Å; E189-N191 PolarHBondContact O-N 3.2Å; E189-N191 PolarHBondContact O-ND2 2.85Å; E189-D224 HydrophobicContact CB-CB 4.44Å; E189-D224 PolarHBondContact N-OD1 3.04Å |
| 190 | G | 86.9 | Confident | 88.4 | Confident | 44 Ų | 44 | 45 Ų | 45 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -18.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 191 | N | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -68.7 | 152.4 | -179 | -75 | -96.3 | 0 | 0 | 0 | 112.7 | L163 N166 V168 L188 E189 V193 S194 | L163-N191 PolarHBondContact O-ND2 2.84Å; N166-N191 WeakPolarHBondContact CA-OD1 3.36Å; N166-N191 WeakPolarHBondContact CB-OD1 3.42Å; N166-N191 PolarHBondContact O-OD1 3.19Å; V168-N191 HydrophobicContact CB-CB 4.47Å; V168-N191 WeakPolarHBondContact CB-OD1 3.46Å; V168-N191 WeakPolarHBondContact CG2-OD1 3.22Å; V168-N191 PolarHBondContact N-OD1 3.21Å; V168-N191 VanDerWaalsContact N-OD1 3.16Å; L188-N191 WeakPolarHBondContact O-CB 3.34Å; L188-N191 PolarHBondContact O-N 3.12Å; L188-N191 PolarHBondContact O-ND2 3.09Å; E189-N191 PolarHBondContact O-N 3.2Å; E189-N191 PolarHBondContact O-ND2 2.85Å; N191-V193 VanDerWaalsContact C-N 3.29Å; N191-V193 HydrophobicContact CB-CG1 3.95Å; N191-V193 PolarHBondContact O-N 2.89Å; N191-S194 WeakPolarHBondContact O-CB 3.33Å; N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 PolarHBondContact O-OG 3.21Å |
| 192 | P | 88.5 | Confident | 86.6 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -57.3 | -35.7 | 172.1 | -24.5 | 31.3 | 0 | 0 | 0 | 114.5 | N166 V168 D169 S194 K195 R196 | N166-P192 WeakPolarHBondContact O-CD 3.49Å; V168-P192 VanDerWaalsContact O-CD 3.24Å; V168-P192 WeakPolarHBondContact O-CD 3.45Å; D169-P192 HydrophobicContact CB-CB 3.64Å; D169-P192 HydrophobicContact CB-CG 4.14Å; P192-S194 PolarHBondContact O-N 3.37Å; P192-K195 PolarHBondContact O-N 3.21Å; P192-R196 PolarHBondContact O-N 3.06Å |
| 193 | V | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -63.3 | -17.9 | 179 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | V168 L171 I174 N191 K195 R196 Y207 Y209 | V168-V193 HydrophobicContact CB-CG1 4.26Å; V168-V193 HydrophobicContact CG1-CB 4.46Å; V168-V193 HydrophobicContact CG1-CG1 4.06Å; V168-V193 WeakPolarHBondContact O-CB 3.39Å; V168-V193 WeakPolarHBondContact O-CG1 3.26Å; V168-V193 PolarHBondContact O-N 3.24Å; L171-V193 HydrophobicContact CD2-CG2 4.03Å; L171-V193 HydrophobicContact CG-CG2 4.14Å; I174-V193 HydrophobicContact CD1-CG1 3.93Å; I174-V193 HydrophobicContact CD1-CG2 3.84Å; N191-V193 VanDerWaalsContact C-N 3.29Å; N191-V193 HydrophobicContact CB-CG1 3.95Å; N191-V193 PolarHBondContact O-N 2.89Å; V193-K195 PolarHBondContact O-N 3.14Å; V193-R196 CarbonylContact C-O 3.51Å; V193-R196 WeakPolarHBondContact CA-O 3.39Å; V193-R196 VanDerWaalsContact O-O 3.12Å; V193-Y207 VanDerWaalsContact O-CE1 3.25Å; V193-Y207 WeakPolarHBondContact O-CE1 3.49Å; V193-Y207 PolarHBondContact O-OH 3.42Å; V193-Y209 HydrophobicContact CG1-CE2 4.35Å; V193-Y209 WeakPolarHBondContact O-CD2 3.42Å |
| 194 | S | 86.8 | Confident | 83.5 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -73.8 | -13.1 | 171.7 | -44.5 | 0 | 0 | 0 | 0 | 113.4 | L188 N191 P192 | L188-S194 PolarHBondContact O-OG 3.1Å; N191-S194 WeakPolarHBondContact O-CB 3.33Å; N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 PolarHBondContact O-OG 3.21Å; P192-S194 PolarHBondContact O-N 3.37Å |
| 195 | K | 85.9 | Confident | 82 | Confident | 133 Ų | 133 | 62.2 Ų | 62.2 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -17.5 | -174.8 | -63.1 | 168.4 | -175.6 | 158.8 | 0 | 113.7 | P192 V193 | P192-K195 PolarHBondContact O-N 3.21Å; V193-K195 PolarHBondContact O-N 3.14Å |
| 196 | R | 83.4 | Confident | 80.9 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | trans | -156.8 | 147.9 | 178.2 | 61.5 | -176 | -179 | 166.8 | 6.2 | 110.1 | D169 P192 V193 N198 P199 Y207 | D169-R196 IonicContact OD2-NH2 2.68Å; P192-R196 PolarHBondContact O-N 3.06Å; V193-R196 CarbonylContact C-O 3.51Å; V193-R196 WeakPolarHBondContact CA-O 3.39Å; V193-R196 VanDerWaalsContact O-O 3.12Å; R196-N198 WeakPolarHBondContact CD-O 3.36Å; R196-P199 VanDerWaalsContact CZ-CA 3.44Å; R196-P199 PolarHBondContact NH1-O 3.36Å; R196-Y207 VanDerWaalsContact C-CE1 3.4Å | ||
| 197 | P | 81.8 | Confident | 80.3 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 22% | 0.221 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70 | -30.5 | -179.5 | 26 | -34.5 | 0 | 0 | 0 | 114 | L171 S201 Y207 | L171-P197 WeakPolarHBondContact CB-O 3.13Å; L171-P197 HydrophobicContact CD1-CB 3.49Å; L171-P197 VanDerWaalsContact CD1-CB 3.49Å; L171-P197 HydrophobicContact CG-CB 4.26Å; L171-P197 VanDerWaalsContact CG-O 3.31Å; L171-P197 WeakPolarHBondContact CG-O 3.47Å; L171-P197 PolarHBondContact N-O 3.44Å; P197-S201 WeakPolarHBondContact CD-OG 3.43Å; P197-Y207 HydrophobicContact CB-CD2 4.26Å; P197-Y207 HydrophobicContact CB-CE2 3.72Å; P197-Y207 HydrophobicContact CG-CD2 4.32Å; P197-Y207 HydrophobicContact CG-CE2 4.27Å |
| 198 | N | 82.7 | Confident | 79.9 | Confident | 60 Ų | 60 | 75.8 Ų | 75.8 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -154.3 | 164.1 | -179.9 | 67.8 | 33.7 | 0 | 0 | 0 | 110.8 | D169 R196 A200 S201 | D169-N198 CarbonylContact O-C 3.25Å; R196-N198 WeakPolarHBondContact CD-O 3.36Å; N198-A200 VanDerWaalsContact C-N 3.28Å; N198-A200 PolarHBondContact O-N 3.23Å; N198-A200 PolarHBondContact OD1-N 2.98Å; N198-S201 PolarHBondContact O-N 3.39Å; N198-S201 PolarHBondContact O-OG 3.43Å; N198-S201 WeakPolarHBondContact OD1-CB 3.25Å; N198-S201 PolarHBondContact OD1-N 3.21Å; N198-S201 PolarHBondContact OD1-OG 2.95Å |
| 199 | P | 78.5 | Confident | 79.7 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.6 | -173.2 | 21.5 | -31.1 | 0 | 0 | 0 | 116 | D169 R196 | D169-P199 WeakPolarHBondContact O-CD 3.49Å; D169-P199 WeakPolarHBondContact OD2-CB 3.49Å; R196-P199 VanDerWaalsContact CZ-CA 3.44Å; R196-P199 PolarHBondContact NH1-O 3.36Å |
| 200 | A | 76.4 | Confident | 79.6 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 79% | 0.793 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -19.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N198 | N198-A200 VanDerWaalsContact C-N 3.28Å; N198-A200 PolarHBondContact O-N 3.23Å; N198-A200 PolarHBondContact OD1-N 2.98Å |
| 201 | S | 71.9 | Confident | 79.6 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -68.3 | 141 | -179.4 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | P197 N198 | P197-S201 WeakPolarHBondContact CD-OG 3.43Å; N198-S201 PolarHBondContact O-N 3.39Å; N198-S201 PolarHBondContact O-OG 3.43Å; N198-S201 WeakPolarHBondContact OD1-CB 3.25Å; N198-S201 PolarHBondContact OD1-N 3.21Å; N198-S201 PolarHBondContact OD1-OG 2.95Å |
| 202 | P | 68 | Low | 79.5 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 72% | 0.721 | 42% | 0.416 | S | S | * | . | trans | -63 | 152 | 163.6 | 30.2 | -34.5 | 0 | 0 | 0 | 109.4 | A204 | P202-A204 PolarHBondContact O-N 2.98Š| ||
| 203 | Q | 62.4 | Low | 79.6 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | trans | -63.9 | 105.5 | 174.1 | -72.9 | 177.3 | -33 | 0 | 0 | 109.5 | ||||
| 204 | A | 59.3 | Low | 79.5 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | trans | -88.9 | 120.2 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | P202 E206 Y207 | P202-A204 PolarHBondContact O-N 2.98Å; A204-E206 PolarHBondContact O-N 3.44Å; A204-E206 VanDerWaalsContact O-N 3.11Å; A204-Y207 WeakPolarHBondContact O-CB 3.48Å; A204-Y207 PolarHBondContact O-N 2.93Å | ||
| 205 | E | 61.9 | Low | 79.7 | Confident | 211 Ų | 211 | 84.8 Ų | 84.8 | 99% | 0.986 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.8 | -178.9 | -59.1 | -167.7 | 164.4 | 0 | 0 | 113.4 | ||
| 206 | E | 70.4 | Confident | 79.9 | Confident | 187 Ų | 187 | 80.7 Ų | 80.7 | 87% | 0.874 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 7.9 | 179.2 | -159.4 | 168.5 | -160.3 | 0 | 0 | 113.5 | A204 N208 | A204-E206 PolarHBondContact O-N 3.44Å; A204-E206 VanDerWaalsContact O-N 3.11Å; E206-N208 PolarHBondContact O-N 3Å |
| 207 | Y | 82.4 | Confident | 80.3 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 18% | 0.176 | 42% | 0.417 | C | S | . | . | trans | -71.2 | 99.4 | -177.3 | 171.3 | -120.6 | 0 | 0 | 0 | 113 | L171 V193 R196 P197 A204 Y209 A212 | L171-Y207 HydrophobicContact CD1-CE2 4.34Å; V193-Y207 VanDerWaalsContact O-CE1 3.25Å; V193-Y207 WeakPolarHBondContact O-CE1 3.49Å; V193-Y207 PolarHBondContact O-OH 3.42Å; R196-Y207 VanDerWaalsContact C-CE1 3.4Å; P197-Y207 HydrophobicContact CB-CD2 4.26Å; P197-Y207 HydrophobicContact CB-CE2 3.72Å; P197-Y207 HydrophobicContact CG-CD2 4.32Å; P197-Y207 HydrophobicContact CG-CE2 4.27Å; A204-Y207 WeakPolarHBondContact O-CB 3.48Å; A204-Y207 PolarHBondContact O-N 2.93Å; Y207-Y209 VanDerWaalsContact C-N 3.33Å; Y207-Y209 PolarHBondContact O-N 3.47Å; Y207-A212 HydrophobicContact CE2-CB 4.42Å | ||
| 208 | N | 85.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | trans | -79.3 | 78.9 | 172.4 | -170.2 | -13.1 | 0 | 0 | 0 | 111.8 | E206 R210 A211 A212 | E206-N208 PolarHBondContact O-N 3Å; N208-R210 VanDerWaalsContact C-N 3.26Å; N208-R210 PolarHBondContact O-N 3.42Å; N208-R210 PolarHBondContact OD1-N 3.44Å; N208-A211 HydrophobicContact CB-CB 4.12Å; N208-A211 PolarHBondContact O-N 2.96Å; N208-A211 VanDerWaalsContact O-N 3.1Å; N208-A211 PolarHBondContact OD1-N 2.98Å; N208-A211 VanDerWaalsContact OD1-N 3.14Å; N208-A212 PolarHBondContact O-N 3.32Å | ||
| 209 | Y | 88.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 80.3 Ų | 80.3 | 8% | 0.075 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -41.8 | -48.3 | 171.7 | 159.7 | -106.9 | 0 | 0 | 0 | 113.7 | I174 L188 V193 Y207 A211 A212 V213 | I174-Y209 HydrophobicContact CD1-CE2 4.19Å; L188-Y209 WeakPolarHBondContact CB-OH 3.4Å; L188-Y209 VanDerWaalsContact CD1-OH 3.3Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.42Å; V193-Y209 HydrophobicContact CG1-CE2 4.35Å; V193-Y209 WeakPolarHBondContact O-CD2 3.42Å; Y207-Y209 VanDerWaalsContact C-N 3.33Å; Y207-Y209 PolarHBondContact O-N 3.47Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.09Å; Y209-A212 PolarHBondContact O-N 2.96Å; Y209-V213 HydrophobicContact CD2-CG2 3.86Å; Y209-V213 HydrophobicContact CE2-CG2 3.26Å; Y209-V213 PolarHBondContact O-N 3.01Å |
| 210 | R | 87.4 | Confident | 81.5 | Confident | 97 Ų | 97 | 78.1 Ų | 78.1 | 37% | 0.366 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.7 | -31.7 | -176 | -76.4 | -170.1 | 149.8 | 132.1 | -11.9 | 113 | N208 R214 L223 D224 V226 | N208-R210 VanDerWaalsContact C-N 3.26Å; N208-R210 PolarHBondContact O-N 3.42Å; N208-R210 PolarHBondContact OD1-N 3.44Å; R210-R214 VanDerWaalsContact O-CB 3.31Å; R210-R214 WeakPolarHBondContact O-CB 3.45Å; R210-R214 PolarHBondContact O-N 3.39Å; R210-R214 VanDerWaalsContact O-N 3.12Å; R210-L223 HydrophobicContact CB-CD2 4.11Å; R210-L223 HydrophobicContact CG-CD2 3.84Å; R210-L223 HydrophobicContact CG-CG 4.43Å; R210-L223 PolarHBondContact NH2-O 2.68Å; R210-D224 IonicContact CZ-OD2 3.04Å; R210-D224 IonicContact NE-OD2 2.68Å; R210-D224 PolarHBondContact NE-OD2 3.45Å; R210-D224 VanDerWaalsContact NH2-CB 3.35Å; R210-D224 PolarHBondContact NH2-O 2.63Å; R210-D224 IonicContact NH2-OD2 2.66Å; R210-D224 PolarHBondContact NH2-OD2 3.36Å; R210-D224 VanDerWaalsContact NH2-OD2 3.12Å; R210-V226 VanDerWaalsContact NH2-CG2 3.34Å |
| 211 | A | 87.4 | Confident | 82.2 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N208 Y209 V213 R214 E215 | N208-A211 HydrophobicContact CB-CB 4.12Å; N208-A211 PolarHBondContact O-N 2.96Å; N208-A211 VanDerWaalsContact O-N 3.1Å; N208-A211 PolarHBondContact OD1-N 2.98Å; N208-A211 VanDerWaalsContact OD1-N 3.14Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.09Å; A211-V213 PolarHBondContact O-N 3.33Å; A211-R214 WeakPolarHBondContact O-CB 3.18Å; A211-R214 PolarHBondContact O-N 2.67Å; A211-E215 PolarHBondContact O-N 3.04Å |
| 212 | A | 89.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 83.6 Ų | 83.6 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L171 Y207 N208 Y209 R214 E215 L216 | L171-A212 HydrophobicContact CD1-CB 3.92Å; L171-A212 HydrophobicContact CD2-CB 3.91Å; Y207-A212 HydrophobicContact CE2-CB 4.42Å; N208-A212 PolarHBondContact O-N 3.32Å; Y209-A212 PolarHBondContact O-N 2.96Å; A212-R214 VanDerWaalsContact C-N 3.32Å; A212-R214 PolarHBondContact O-N 3.1Å; A212-E215 PolarHBondContact O-N 3.11Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.19Å; A212-L216 VanDerWaalsContact O-N 3.1Å |
| 213 | V | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 112 | I174 L186 Y209 A211 E215 L216 V217 L220 L223 | I174-V213 HydrophobicContact CD1-CG2 3.66Å; I174-V213 HydrophobicContact CG2-CB 4.5Å; I174-V213 HydrophobicContact CG2-CG1 4.04Å; I174-V213 HydrophobicContact CG2-CG2 4.17Å; L186-V213 HydrophobicContact CD2-CG1 4.14Å; Y209-V213 HydrophobicContact CD2-CG2 3.86Å; Y209-V213 HydrophobicContact CE2-CG2 3.26Å; Y209-V213 PolarHBondContact O-N 3.01Å; A211-V213 PolarHBondContact O-N 3.33Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 2.87Å; V213-L216 PolarHBondContact O-N 2.97Å; V213-V217 HydrophobicContact CG1-CG2 4.44Å; V213-V217 PolarHBondContact O-N 2.96Å; V213-L220 HydrophobicContact CG1-CD2 4.43Å; V213-L223 HydrophobicContact CB-CD2 3.87Å; V213-L223 HydrophobicContact CG1-CD1 3.93Å; V213-L223 HydrophobicContact CG1-CD2 3.85Å |
| 214 | R | 88.6 | Confident | 85.8 | Confident | 89 Ų | 89 | 72 Ų | 72 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 175.7 | -175.3 | 178.2 | -172.4 | 128.9 | 22.9 | 112.8 | R210 A211 A212 V228 E229 | R210-R214 VanDerWaalsContact O-CB 3.31Å; R210-R214 WeakPolarHBondContact O-CB 3.45Å; R210-R214 PolarHBondContact O-N 3.39Å; R210-R214 VanDerWaalsContact O-N 3.12Å; A211-R214 WeakPolarHBondContact O-CB 3.18Å; A211-R214 PolarHBondContact O-N 2.67Å; A212-R214 VanDerWaalsContact C-N 3.32Å; A212-R214 PolarHBondContact O-N 3.1Å; R214-V228 HydrophobicContact CG-CG1 3.95Å; R214-V228 PolarHBondContact NH1-O 3.5Å; R214-V228 PolarHBondContact NH2-O 3.1Å; R214-E229 PolarHBondContact NH1-O 3.4Å; R214-E229 PolarHBondContact NH2-O 3.1Å; R214-E229 VanDerWaalsContact NH2-O 3.11Å |
| 215 | E | 89.9 | Confident | 87.1 | Confident | 164 Ų | 164 | 75.9 Ų | 75.9 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.3 | -41.1 | 175.1 | -172.2 | 173.7 | 178.3 | 0 | 0 | 111.9 | A211 A212 V213 | A211-E215 PolarHBondContact O-N 3.04Å; A212-E215 PolarHBondContact O-N 3.11Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 2.87Å |
| 216 | L | 90.9 | Very high | 88.4 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -76.7 | -30.4 | -179.6 | -65.5 | 172.2 | 0 | 0 | 0 | 114.1 | L171 I174 Q175 G178 A212 V213 P218 | L171-L216 HydrophobicContact CB-CD1 4.06Å; L171-L216 HydrophobicContact CD2-CD1 3.88Å; L171-L216 HydrophobicContact CG-CD1 4.48Å; I174-L216 HydrophobicContact CB-CD1 4.26Å; I174-L216 HydrophobicContact CG2-CB 4.37Å; I174-L216 HydrophobicContact CG2-CD1 4.26Å; Q175-L216 HydrophobicContact CB-CD2 4.16Å; Q175-L216 HydrophobicContact CG-CD2 4.12Å; G178-L216 WeakPolarHBondContact CA-O 3.43Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.19Å; A212-L216 VanDerWaalsContact O-N 3.1Å; V213-L216 PolarHBondContact O-N 2.97Å; L216-P218 VanDerWaalsContact C-CD 3.48Å |
| 217 | V | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | trans | -129.1 | 65.1 | -175.6 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | I174 L177 L183 V213 Q219 L220 | I174-V217 HydrophobicContact CG2-CG2 3.77Å; L177-V217 HydrophobicContact CB-CG2 4.15Å; L183-V217 HydrophobicContact CD2-CG1 4.28Å; V213-V217 HydrophobicContact CG1-CG2 4.44Å; V213-V217 PolarHBondContact O-N 2.96Å; V217-Q219 VanDerWaalsContact C-OE1 3.31Å; V217-Q219 HydrophobicContact CG1-CG 4.11Å; V217-Q219 PolarHBondContact O-N 3.17Å; V217-Q219 VanDerWaalsContact O-N 3.14Å; V217-L220 HydrophobicContact CG1-CB 4.18Å; V217-L220 VanDerWaalsContact O-CB 3.22Å; V217-L220 WeakPolarHBondContact O-CB 3.26Å; V217-L220 PolarHBondContact O-N 2.83Å; V217-L220 VanDerWaalsContact O-N 3.14Å | ||
| 218 | P | 87.4 | Confident | 89.1 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 66% | 0.656 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.9 | -172.8 | 28.4 | -37.2 | 0 | 0 | 0 | 115 | L216 L220 | L216-P218 VanDerWaalsContact C-CD 3.48Å; P218-L220 VanDerWaalsContact C-N 3.26Å |
| 219 | Q | 90.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15 | 173.4 | 62 | -91.4 | 47.2 | 0 | 0 | 113.9 | G178 C180 L183 V217 | G178-Q219 PolarHBondContact O-NE2 2.68Å; C180-Q219 PolarHBondContact O-NE2 2.73Å; L183-Q219 WeakPolarHBondContact O-CG 3.44Å; V217-Q219 VanDerWaalsContact C-OE1 3.31Å; V217-Q219 HydrophobicContact CG1-CG 4.11Å; V217-Q219 PolarHBondContact O-N 3.17Å; V217-Q219 VanDerWaalsContact O-N 3.14Å |
| 220 | L | 91.4 | Very high | 86.4 | Confident | 10 Ų | 10 | 70.8 Ų | 70.8 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | trans | -68.7 | 139.7 | -170.1 | -165.3 | 69.5 | 0 | 0 | 0 | 112.8 | L183 Q184 L186 V213 V217 P218 Y222 L223 V228 | L183-L220 HydrophobicContact CG-CD1 4.31Å; Q184-L220 WeakPolarHBondContact O-CD1 3.33Å; L186-L220 HydrophobicContact CB-CD1 3.56Å; L186-L220 HydrophobicContact CB-CD2 3.92Å; L186-L220 HydrophobicContact CB-CG 4.39Å; L186-L220 HydrophobicContact CD2-CD2 4.27Å; V213-L220 HydrophobicContact CG1-CD2 4.43Å; V217-L220 HydrophobicContact CG1-CB 4.18Å; V217-L220 VanDerWaalsContact O-CB 3.22Å; V217-L220 WeakPolarHBondContact O-CB 3.26Å; V217-L220 PolarHBondContact O-N 2.83Å; V217-L220 VanDerWaalsContact O-N 3.14Å; P218-L220 VanDerWaalsContact C-N 3.26Å; L220-Y222 WeakPolarHBondContact CD1-O 3.45Å; L220-Y222 WeakPolarHBondContact CG-O 3.33Å; L220-L223 HydrophobicContact CD2-CB 3.76Å; L220-L223 HydrophobicContact CD2-CD1 3.93Å; L220-L223 HydrophobicContact CD2-CD2 4.49Å; L220-L223 HydrophobicContact CD2-CG 4.27Å; L220-V228 HydrophobicContact CD2-CG2 4.36Å; L220-V228 HydrophobicContact CG-CG2 4.4Å | ||
| 221 | R | 90.4 | Very high | 84.5 | Confident | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -108 | -29.8 | 179.7 | -60.7 | -177.9 | 175.4 | 178.9 | -10.9 | 113.3 | Q184 K227 V228 | Q184-R221 HydrophobicContact CB-CB 4.39Å; Q184-R221 HydrophobicContact CB-CG 4.25Å; Q184-R221 HydrophobicContact CG-CG 4.12Å; Q184-R221 CarbonylContact O-C 3.33Å; Q184-R221 WeakPolarHBondContact O-CA 3.38Å; Q184-R221 WeakPolarHBondContact O-CB 3.46Å; Q184-R221 PolarHBondContact O-N 2.92Å; R221-K227 CarbonylContact O-C 3.56Å; R221-K227 WeakPolarHBondContact O-CA 3.34Å; R221-V228 PolarHBondContact O-N 2.87Å |
| 222 | Y | 92.3 | Very high | 82.6 | Confident | 92 Ų | 92 | 76.6 Ų | 76.6 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.5 | 177.9 | -63.6 | -87.8 | 0 | 0 | 0 | 110 | Q184 T185 L186 L220 V226 K227 | Q184-Y222 PolarHBondContact O-N 2.66Å; T185-Y222 WeakPolarHBondContact CA-O 3.33Å; L186-Y222 PolarHBondContact N-O 3.4Å; L220-Y222 WeakPolarHBondContact CD1-O 3.45Å; L220-Y222 WeakPolarHBondContact CG-O 3.33Å; Y222-V226 CarbonylContact C-O 3.34Å; Y222-V226 WeakPolarHBondContact CA-O 3.45Å; Y222-K227 HydrophobicContact CD1-CB 3.9Å; Y222-K227 HydrophobicContact CD1-CG 4.1Å; Y222-K227 HydrophobicContact CE1-CB 3.66Å; Y222-K227 HydrophobicContact CE1-CD 4.09Å; Y222-K227 HydrophobicContact CE1-CG 3.6Å |
| 223 | L | 93 | Very high | 80.5 | Confident | 4 Ų | 4 | 83.8 Ų | 83.8 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 112.5 | 177.6 | -179.2 | 56.1 | 0 | 0 | 0 | 108.6 | L186 R210 V213 L220 V226 V228 | L186-L223 HydrophobicContact CB-CD1 4.36Å; L186-L223 HydrophobicContact CD2-CD1 4.31Å; L186-L223 HydrophobicContact CG-CD1 4.26Å; L186-L223 CarbonylContact O-C 3.59Å; L186-L223 VanDerWaalsContact O-CA 3.31Å; L186-L223 WeakPolarHBondContact O-CA 3.31Å; R210-L223 HydrophobicContact CB-CD2 4.11Å; R210-L223 HydrophobicContact CG-CD2 3.84Å; R210-L223 HydrophobicContact CG-CG 4.43Å; R210-L223 PolarHBondContact NH2-O 2.68Å; V213-L223 HydrophobicContact CB-CD2 3.87Å; V213-L223 HydrophobicContact CG1-CD1 3.93Å; V213-L223 HydrophobicContact CG1-CD2 3.85Å; L220-L223 HydrophobicContact CD2-CB 3.76Å; L220-L223 HydrophobicContact CD2-CD1 3.93Å; L220-L223 HydrophobicContact CD2-CD2 4.49Å; L220-L223 HydrophobicContact CD2-CG 4.27Å; L223-V226 PolarHBondContact N-O 3.05Å; L223-V226 PolarHBondContact O-N 3.27Å; L223-V226 VanDerWaalsContact O-N 3.13Å; L223-V228 HydrophobicContact CB-CG2 3.74Å |
| 224 | D | 91.5 | Very high | 78.2 | Confident | 19 Ų | 19 | 88.6 Ų | 88.6 | 10% | 0.102 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 63.8 | -171.8 | -14.7 | -78.3 | 0 | 0 | 0 | 111.5 | L186 L188 E189 R210 V226 | L186-D224 PolarHBondContact O-N 2.99Å; L188-D224 PolarHBondContact N-OD1 2.79Å; E189-D224 HydrophobicContact CB-CB 4.44Å; E189-D224 PolarHBondContact N-OD1 3.04Å; R210-D224 IonicContact CZ-OD2 3.04Å; R210-D224 IonicContact NE-OD2 2.68Å; R210-D224 PolarHBondContact NE-OD2 3.45Å; R210-D224 VanDerWaalsContact NH2-CB 3.35Å; R210-D224 PolarHBondContact NH2-O 2.63Å; R210-D224 IonicContact NH2-OD2 2.66Å; R210-D224 PolarHBondContact NH2-OD2 3.36Å; R210-D224 VanDerWaalsContact NH2-OD2 3.12Å; D224-V226 PolarHBondContact O-N 3.45Å |
| 225 | D | 86.9 | Confident | 75.6 | Confident | 139 Ų | 139 | 90.8 Ų | 90.8 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -7.1 | -173.6 | -71.7 | -25.8 | 0 | 0 | 0 | 117.8 | ||
| 226 | V | 88.8 | Confident | 72.7 | Confident | 80 Ų | 80 | 87.9 Ų | 87.9 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.1 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | R210 Y222 L223 D224 V228 | R210-V226 VanDerWaalsContact NH2-CG2 3.34Å; Y222-V226 CarbonylContact C-O 3.34Å; Y222-V226 WeakPolarHBondContact CA-O 3.45Å; L223-V226 PolarHBondContact N-O 3.05Å; L223-V226 PolarHBondContact O-N 3.27Å; L223-V226 VanDerWaalsContact O-N 3.13Å; D224-V226 PolarHBondContact O-N 3.45Å; V226-V228 PolarHBondContact O-N 3.29Å |
| 227 | K | 86.3 | Confident | 70.5 | Confident | 96 Ų | 96 | 91.2 Ų | 91.2 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.7 | -179.6 | -162.4 | -179.8 | -176.1 | -162.1 | 0 | 111.5 | R221 Y222 E229 | R221-K227 CarbonylContact O-C 3.56Å; R221-K227 WeakPolarHBondContact O-CA 3.34Å; Y222-K227 HydrophobicContact CD1-CB 3.9Å; Y222-K227 HydrophobicContact CD1-CG 4.1Å; Y222-K227 HydrophobicContact CE1-CB 3.66Å; Y222-K227 HydrophobicContact CE1-CD 4.09Å; Y222-K227 HydrophobicContact CE1-CG 3.6Å; K227-E229 HydrophobicContact CD-CB 4.34Å; K227-E229 WeakPolarHBondContact CE-OE1 3.43Å; K227-E229 VanDerWaalsContact CE-OE2 3.29Å; K227-E229 WeakPolarHBondContact CE-OE2 3.37Å; K227-E229 HydrophobicContact CG-CB 4.27Å; K227-E229 IonicContact NZ-OE1 2.73Å; K227-E229 PolarHBondContact NZ-OE1 2.99Å; K227-E229 IonicContact NZ-OE2 3.99Å; K227-E229 PolarHBondContact NZ-OE2 3.11Å; K227-E229 PolarHBondContact O-N 3.14Å |
| 228 | V | 81.4 | Confident | 67.9 | Low | 26 Ų | 26 | 94.1 Ų | 94.1 | 16% | 0.158 | 50% | 0.504 | C | S | . | . | trans | -82 | 35.5 | -176.8 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | R214 L220 R221 L223 V226 | R214-V228 HydrophobicContact CG-CG1 3.95Å; R214-V228 PolarHBondContact NH1-O 3.5Å; R214-V228 PolarHBondContact NH2-O 3.1Å; L220-V228 HydrophobicContact CD2-CG2 4.36Å; L220-V228 HydrophobicContact CG-CG2 4.4Å; R221-V228 PolarHBondContact O-N 2.87Å; L223-V228 HydrophobicContact CB-CG2 3.74Å; V226-V228 PolarHBondContact O-N 3.29Å | ||
| 229 | E | 66.4 | Low | 66.4 | Low | 121 Ų | 121 | 92.6 Ų | 92.6 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | trans | -70 | 175.5 | -175.5 | -137.3 | 157.9 | -142.5 | 0 | 0 | 112 | R214 K227 D231 | R214-E229 PolarHBondContact NH1-O 3.4Å; R214-E229 PolarHBondContact NH2-O 3.1Å; R214-E229 VanDerWaalsContact NH2-O 3.11Å; K227-E229 HydrophobicContact CD-CB 4.34Å; K227-E229 WeakPolarHBondContact CE-OE1 3.43Å; K227-E229 VanDerWaalsContact CE-OE2 3.29Å; K227-E229 WeakPolarHBondContact CE-OE2 3.37Å; K227-E229 HydrophobicContact CG-CB 4.27Å; K227-E229 IonicContact NZ-OE1 2.73Å; K227-E229 PolarHBondContact NZ-OE1 2.99Å; K227-E229 IonicContact NZ-OE2 3.99Å; K227-E229 PolarHBondContact NZ-OE2 3.11Å; K227-E229 PolarHBondContact O-N 3.14Å; E229-D231 PolarHBondContact O-N 3.22Å | ||
| 230 | E | 53.3 | Low | 64.6 | Low | 135 Ų | 135 | 96.4 Ų | 96.4 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | -76 | 79.2 | -151.8 | -58.3 | -164.1 | 133.6 | 0 | 0 | 116.2 | K232 | E230-K232 HydrophobicContact CB-CD 4.19Å; E230-K232 HydrophobicContact CB-CG 4.16Å; E230-K232 HydrophobicContact CG-CD 4.39Å; E230-K232 PolarHBondContact O-N 3.17Å; E230-K232 VanDerWaalsContact OE1-CE 3.26Å; E230-K232 WeakPolarHBondContact OE1-CE 3.21Å; E230-K232 IonicContact OE1-NZ 2.68Å; E230-K232 PolarHBondContact OE1-NZ 2.89Å; E230-K232 IonicContact OE2-NZ 2.63Å | ||
| 231 | D | 46.6 | Very low | 62.9 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | trans | -68.5 | 47.4 | 159.9 | -95.2 | -32.7 | 0 | 0 | 0 | 112.3 | E229 L233 T234 | E229-D231 PolarHBondContact O-N 3.22Å; D231-L233 PolarHBondContact O-N 3.27Å; D231-T234 PolarHBondContact O-N 3.24Å; D231-T234 PolarHBondContact OD1-OG1 3.1Å | ||
| 232 | K | 46.7 | Very low | 61.4 | Low | 156 Ų | 156 | 99 Ų | 99 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 11.4 | 178.9 | -82.2 | 179.4 | 172 | 168.6 | 0 | 114.1 | E230 | E230-K232 HydrophobicContact CB-CD 4.19Å; E230-K232 HydrophobicContact CB-CG 4.16Å; E230-K232 HydrophobicContact CG-CD 4.39Å; E230-K232 PolarHBondContact O-N 3.17Å; E230-K232 VanDerWaalsContact OE1-CE 3.26Å; E230-K232 WeakPolarHBondContact OE1-CE 3.21Å; E230-K232 IonicContact OE1-NZ 2.68Å; E230-K232 PolarHBondContact OE1-NZ 2.89Å; E230-K232 IonicContact OE2-NZ 2.63Å |
| 233 | L | 45.7 | Very low | 60.1 | Low | 171 Ų | 171 | 101.2 Ų | 101.2 | 90% | 0.895 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | 7.5 | -180 | -70.5 | 174.7 | 0 | 0 | 0 | 113.5 | D231 | D231-L233 PolarHBondContact O-N 3.27Š|
| 234 | T | 42.4 | Very low | 58.8 | Low | 101 Ų | 101 | 104 Ų | 104 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | trans | -124.8 | 26.7 | -167.3 | -9.8 | 0 | 0 | 0 | 0 | 113.8 | D231 | D231-T234 PolarHBondContact O-N 3.24Å; D231-T234 PolarHBondContact OD1-OG1 3.1Å | ||
| 235 | C | 33.8 | Very low | 57.8 | Low | 136 Ų | 136 | 108.4 Ų | 108.4 | 92% | 0.919 | 58% | 0.575 | S | S | * | * | trans | -128.9 | 68.4 | 162 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 236 | C | 29 | Very low | 56.8 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 69% | 0.689 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -140.4 | 125.9 | 149.5 | -169.3 | 0 | 0 | 0 | 0 | 106.1 | T238 | C236-T238 PolarHBondContact O-N 2.97Å; C236-T238 PolarHBondContact O-OG1 3.22Å |
| 237 | S | 46.3 | Very low | 55.6 | Low | 117 Ų | 117 | 107.7 Ų | 107.7 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | trans | -71.6 | 74.7 | -176.5 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 238 | T | 35.9 | Very low | 54.2 | Low | 62 Ų | 62 | 108 Ų | 108 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | trans | -96.7 | 108.2 | 161.4 | 41.3 | 0 | 0 | 0 | 0 | 106.3 | C236 D242 W243 | C236-T238 PolarHBondContact O-N 2.97Å; C236-T238 PolarHBondContact O-OG1 3.22Å; T238-D242 HydrophobicContact CG2-CB 4.3Å; T238-W243 PolarHBondContact OG1-NE1 3.48Å | ||
| 239 | T | 55.2 | Low | 53 | Low | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | trans | -60.2 | 162.3 | 174.5 | 63 | 0 | 0 | 0 | 0 | 109.9 | E241 D242 W243 | T239-E241 PolarHBondContact O-N 2.77Å; T239-E241 VanDerWaalsContact O-N 3.12Å; T239-E241 WeakPolarHBondContact OG1-CB 3.45Å; T239-E241 PolarHBondContact OG1-N 3.35Å; T239-D242 WeakPolarHBondContact CB-OD2 3.48Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 VanDerWaalsContact O-N 3.09Å; T239-D242 VanDerWaalsContact OG1-CG 3.3Å; T239-D242 PolarHBondContact OG1-N 2.97Å; T239-D242 PolarHBondContact OG1-OD2 2.91Å; T239-W243 PolarHBondContact O-N 3.24Å | ||
| 240 | Q | 52.4 | Low | 52.6 | Low | 133 Ų | 133 | 110.3 Ų | 110.3 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.4 | -30.6 | 169.3 | -175.4 | 63.9 | 37.5 | 0 | 0 | 111.1 | W243 D244 | Q240-W243 PolarHBondContact O-N 2.84Å; Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.38Å |
| 241 | E | 55.7 | Low | 52.6 | Low | 145 Ų | 145 | 109.9 Ų | 109.9 | 68% | 0.678 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.2 | -40.4 | 177.9 | -49 | -175.3 | 149.8 | 0 | 0 | 111.8 | T239 W243 D244 I245 | T239-E241 PolarHBondContact O-N 2.77Å; T239-E241 VanDerWaalsContact O-N 3.12Å; T239-E241 WeakPolarHBondContact OG1-CB 3.45Å; T239-E241 PolarHBondContact OG1-N 3.35Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.8Å; E241-D244 CarbonylContact O-C 3.58Å; E241-D244 PolarHBondContact O-N 3.46Å; E241-D244 VanDerWaalsContact O-N 3.15Å; E241-I245 WeakPolarHBondContact O-CB 3.26Å; E241-I245 VanDerWaalsContact O-CG1 3.25Å; E241-I245 WeakPolarHBondContact O-CG1 3.38Å; E241-I245 PolarHBondContact O-N 3.07Å |
| 242 | D | 58.8 | Low | 52.7 | Low | 63 Ų | 63 | 111.8 Ų | 111.8 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.3 | -40.4 | 172.5 | -65.7 | -65.3 | 0 | 0 | 0 | 112 | T238 T239 D244 I245 L246 | T238-D242 HydrophobicContact CG2-CB 4.3Å; T239-D242 WeakPolarHBondContact CB-OD2 3.48Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 VanDerWaalsContact O-N 3.09Å; T239-D242 VanDerWaalsContact OG1-CG 3.3Å; T239-D242 PolarHBondContact OG1-N 2.97Å; T239-D242 PolarHBondContact OG1-OD2 2.91Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.19Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-L246 WeakPolarHBondContact O-CB 3.25Å; D242-L246 WeakPolarHBondContact O-CG 3.48Å; D242-L246 PolarHBondContact O-N 2.79Å |
| 243 | W | 65.9 | Low | 52.8 | Low | 140 Ų | 140 | 109.3 Ų | 109.3 | 53% | 0.53 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -31.4 | 174.9 | -80.3 | 100.8 | 0 | 0 | 0 | 113 | T238 T239 Q240 E241 R247 | T238-W243 PolarHBondContact OG1-NE1 3.48Å; T239-W243 PolarHBondContact O-N 3.24Å; Q240-W243 PolarHBondContact O-N 2.84Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.8Å; W243-R247 WeakPolarHBondContact O-CB 3.49Å; W243-R247 PolarHBondContact O-N 3.49Å; W243-R247 PolarHBondContact O-NH2 3.21Å |
| 244 | D | 64.9 | Low | 52.9 | Low | 62 Ų | 62 | 107 Ų | 107 | 33% | 0.332 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -78.9 | -35.9 | 175.6 | -71.2 | -4.5 | 0 | 0 | 0 | 111.1 | Q240 E241 D242 R247 M248 | Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.38Å; E241-D244 CarbonylContact O-C 3.58Å; E241-D244 PolarHBondContact O-N 3.46Å; E241-D244 VanDerWaalsContact O-N 3.15Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.19Å; D244-R247 PolarHBondContact O-N 3.15Å; D244-R247 IonicContact OD1-CZ 3.82Å; D244-R247 IonicContact OD1-NH1 3.67Å; D244-R247 PolarHBondContact OD1-NH1 3.44Å; D244-R247 IonicContact OD1-NH2 3.15Å; D244-R247 PolarHBondContact OD1-NH2 3.09Å; D244-M248 WeakPolarHBondContact O-CB 3.39Å; D244-M248 VanDerWaalsContact O-CG 3.26Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 3Å |
| 245 | I | 71.3 | Confident | 53 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 57% | 0.569 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.5 | -43.5 | 170.9 | -70.5 | 162.7 | 0 | 0 | 0 | 111 | E241 D242 M248 S249 | E241-I245 WeakPolarHBondContact O-CB 3.26Å; E241-I245 VanDerWaalsContact O-CG1 3.25Å; E241-I245 WeakPolarHBondContact O-CG1 3.38Å; E241-I245 PolarHBondContact O-N 3.07Å; D242-I245 PolarHBondContact O-N 3.42Å; I245-M248 PolarHBondContact O-N 3.12Å; I245-S249 WeakPolarHBondContact O-CB 3.42Å; I245-S249 PolarHBondContact O-N 3.45Å; I245-S249 PolarHBondContact O-OG 2.65Å |
| 246 | L | 65.2 | Low | 53.2 | Low | 78 Ų | 78 | 108.6 Ų | 108.6 | 41% | 0.408 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -44.5 | 171.5 | -78.8 | 168.4 | 0 | 0 | 0 | 111.1 | D242 M248 S249 F250 | D242-L246 WeakPolarHBondContact O-CB 3.25Å; D242-L246 WeakPolarHBondContact O-CG 3.48Å; D242-L246 PolarHBondContact O-N 2.79Å; L246-M248 PolarHBondContact O-N 2.95Å; L246-S249 WeakPolarHBondContact CA-OG 3.01Å; L246-S249 PolarHBondContact O-N 2.76Å; L246-S249 PolarHBondContact O-OG 2.78Å; L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 3.22Å; L246-F250 VanDerWaalsContact O-N 3.08Å |
| 247 | R | 64.6 | Low | 54.1 | Low | 126 Ų | 126 | 112 Ų | 112 | 48% | 0.475 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -38.6 | 179.5 | -158.1 | -179.5 | -50.1 | 115.6 | 23.9 | 112.7 | W243 D244 Q251 | W243-R247 WeakPolarHBondContact O-CB 3.49Å; W243-R247 PolarHBondContact O-N 3.49Å; W243-R247 PolarHBondContact O-NH2 3.21Å; D244-R247 PolarHBondContact O-N 3.15Å; D244-R247 IonicContact OD1-CZ 3.82Å; D244-R247 IonicContact OD1-NH1 3.67Å; D244-R247 PolarHBondContact OD1-NH1 3.44Å; D244-R247 IonicContact OD1-NH2 3.15Å; D244-R247 PolarHBondContact OD1-NH2 3.09Å; R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.18Å |
| 248 | M | 55.7 | Low | 54.1 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 50% | 0.502 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68 | -45 | 176.5 | -73.3 | -61.2 | -64.3 | 0 | 0 | 111.6 | D244 I245 L246 F250 Q251 E252 | D244-M248 WeakPolarHBondContact O-CB 3.39Å; D244-M248 VanDerWaalsContact O-CG 3.26Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 3Å; I245-M248 PolarHBondContact O-N 3.12Å; L246-M248 PolarHBondContact O-N 2.95Å; M248-F250 VanDerWaalsContact C-N 3.3Å; M248-F250 PolarHBondContact O-N 3.01Å; M248-Q251 CarbonylContact O-C 3.58Å; M248-Q251 WeakPolarHBondContact O-CA 3.47Å; M248-Q251 WeakPolarHBondContact O-CB 3.46Å; M248-Q251 PolarHBondContact O-N 3.12Å; M248-E252 PolarHBondContact O-N 3.36Å |
| 249 | S | 58.1 | Low | 54.3 | Low | 47 Ų | 47 | 113.3 Ų | 113.3 | 33% | 0.329 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.1 | -30.5 | 176.9 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | I245 L246 Q251 S253 | I245-S249 WeakPolarHBondContact O-CB 3.42Å; I245-S249 PolarHBondContact O-N 3.45Å; I245-S249 PolarHBondContact O-OG 2.65Å; L246-S249 WeakPolarHBondContact CA-OG 3.01Å; L246-S249 PolarHBondContact O-N 2.76Å; L246-S249 PolarHBondContact O-OG 2.78Å; S249-Q251 VanDerWaalsContact C-N 3.34Å; S249-S253 VanDerWaalsContact O-CB 3.26Å; S249-S253 WeakPolarHBondContact O-CB 3.26Å; S249-S253 PolarHBondContact O-N 3.13Å; S249-S253 VanDerWaalsContact O-N 3.13Å; S249-S253 PolarHBondContact O-OG 3.36Å |
| 250 | F | 56.2 | Low | 53.7 | Low | 150 Ų | 150 | 116.4 Ų | 116.4 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.3 | -23.5 | 167.3 | -74.2 | -55.6 | 0 | 0 | 0 | 114.3 | L246 M248 | L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 3.22Å; L246-F250 VanDerWaalsContact O-N 3.08Å; M248-F250 VanDerWaalsContact C-N 3.3Å; M248-F250 PolarHBondContact O-N 3.01Å |
| 251 | Q | 54.1 | Low | 53.1 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.6 | -44.5 | 173.4 | -74 | -176.6 | -8.7 | 0 | 0 | 111.9 | R247 M248 S249 S253 N254 | R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.18Å; M248-Q251 CarbonylContact O-C 3.58Å; M248-Q251 WeakPolarHBondContact O-CA 3.47Å; M248-Q251 WeakPolarHBondContact O-CB 3.46Å; M248-Q251 PolarHBondContact O-N 3.12Å; S249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.85Å; Q251-N254 PolarHBondContact O-N 3.19Å; Q251-N254 VanDerWaalsContact O-N 3.12Å |
| 252 | E | 49.8 | Very low | 52.5 | Low | 151 Ų | 151 | 117.2 Ų | 117.2 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63 | -33.8 | 177.2 | -68.5 | -173.4 | 139.6 | 0 | 0 | 112.2 | M248 N254 | M248-E252 PolarHBondContact O-N 3.36Å; E252-N254 PolarHBondContact O-N 2.91Å |
| 253 | S | 47.2 | Very low | 51.6 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -6.4 | 176.2 | -62 | 0 | 0 | 0 | 0 | 114.5 | S249 Q251 | S249-S253 VanDerWaalsContact O-CB 3.26Å; S249-S253 WeakPolarHBondContact O-CB 3.26Å; S249-S253 PolarHBondContact O-N 3.13Å; S249-S253 VanDerWaalsContact O-N 3.13Å; S249-S253 PolarHBondContact O-OG 3.36Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.85Å |
| 254 | N | 48.2 | Very low | 50.3 | Low | 123 Ų | 123 | 119.6 Ų | 119.6 | 66% | 0.658 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 26 | -166.7 | -136.3 | -17 | 0 | 0 | 0 | 114.7 | Q251 E252 F256 | Q251-N254 PolarHBondContact O-N 3.19Å; Q251-N254 VanDerWaalsContact O-N 3.12Å; E252-N254 PolarHBondContact O-N 2.91Å; N254-F256 PolarHBondContact O-N 3.08Å |
| 255 | S | 43.8 | Very low | 49 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | trans | -78.7 | 56.6 | 173.3 | -167.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | F | 39.1 | Very low | 47.4 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -163 | 98.4 | 152.8 | -129.3 | -87.7 | 0 | 0 | 0 | 114.5 | N254 V258 | N254-F256 PolarHBondContact O-N 3.08Å; F256-V258 PolarHBondContact O-N 3.35Å |
| 257 | E | 47.4 | Very low | 46 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 55.4 | 37.1 | 136.6 | -143.5 | 179.9 | -156.6 | 0 | 0 | 122.2 | ||
| 258 | V | 46.7 | Very low | 44.5 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | trans | -127.5 | 0.9 | 171.7 | -153.6 | 0 | 0 | 0 | 0 | 116.1 | F256 E260 | F256-V258 PolarHBondContact O-N 3.35Å; V258-E260 PolarHBondContact O-N 2.71Å | ||
| 259 | A | 41.2 | Very low | 43.2 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -23.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 260 | E | 42.6 | Very low | 41.8 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -5.9 | -167 | -133.4 | -155.1 | 132.9 | 0 | 0 | 115.6 | V258 R264 | V258-E260 PolarHBondContact O-N 2.71Å; E260-R264 PolarHBondContact O-NH1 2.83Å; E260-R264 IonicContact OE1-CZ 2.67Å; E260-R264 IonicContact OE1-NH1 3.31Å; E260-R264 PolarHBondContact OE1-NH1 3.46Å; E260-R264 IonicContact OE1-NH2 3.38Å; E260-R264 PolarHBondContact OE1-NH2 2.95Å; E260-R264 IonicContact OE2-NH1 3.12Å |
| 261 | K | 38.5 | Very low | 40.6 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -25.3 | -166.9 | -145.1 | 167 | -171.8 | 171.5 | 0 | 114.8 | ||
| 262 | I | 42.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 68% | 0.677 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -38.6 | -175.6 | -60.9 | 177 | 0 | 0 | 0 | 111.5 | R264 H265 | I262-R264 PolarHBondContact O-N 3.03Å; I262-H265 PolarHBondContact O-N 2.92Å; I262-H265 VanDerWaalsContact O-N 3.17Å |
| 263 | A | 40.7 | Very low | 38.7 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 264 | R | 37.7 | Very low | 37.8 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 63% | 0.634 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -8.3 | -178.5 | -68.3 | 179.2 | 166.9 | 112.2 | -6.2 | 114.7 | E260 I262 | E260-R264 PolarHBondContact O-NH1 2.83Å; E260-R264 IonicContact OE1-CZ 2.67Å; E260-R264 IonicContact OE1-NH1 3.31Å; E260-R264 PolarHBondContact OE1-NH1 3.46Å; E260-R264 IonicContact OE1-NH2 3.38Å; E260-R264 PolarHBondContact OE1-NH2 2.95Å; E260-R264 IonicContact OE2-NH1 3.12Å; I262-R264 PolarHBondContact O-N 3.03Å |
| 265 | H | 39.2 | Very low | 37.5 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -106.4 | -0.8 | -172.4 | -81.3 | 90.5 | 0 | 0 | 0 | 115.9 | I262 | I262-H265 PolarHBondContact O-N 2.92Å; I262-H265 VanDerWaalsContact O-N 3.17Å |
| 266 | L | 36.9 | Very low | 36.9 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -123.2 | 44.1 | -178.6 | -70.8 | 172.7 | 0 | 0 | 0 | 113.6 | ||
| 267 | R | 35.6 | Very low | 36.5 | Very low | 223 Ų | 223 | 138.2 Ų | 138.2 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -134.9 | 61.7 | 166 | -67.2 | -159.9 | -160.7 | -170.7 | 7.6 | 113.3 | ||||
| 268 | H | 32.9 | Very low | 35.8 | Very low | 206 Ų | 206 | 134.4 Ų | 134.4 | 95% | 0.954 | 79% | 0.787 | S | S | * | * | trans | -153.9 | 101 | 158.3 | -84.9 | 109.5 | 0 | 0 | 0 | 109.1 | ||||
| 269 | G | 27.8 | Very low | 35.3 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 177.7 | 79.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 270 | A | 30.1 | Very low | 35.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 42.6 | 104.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 271 | H | 29.7 | Very low | 35.3 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 148.7 | 154.9 | -90.9 | -97.5 | 0 | 0 | 0 | 111.3 | ||
| 272 | I | 33.9 | Very low | 35 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 157.2 | 171.3 | -68.3 | 175.8 | 0 | 0 | 0 | 110.8 | ||
| 273 | T | 31.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 145 | -164.3 | 51.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 274 | G | 27.4 | Very low | 34 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -156.7 | 119.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 275 | P | 42.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -117.3 | 127.7 | -177.2 | 36.6 | -26 | 0 | 0 | 0 | 114.6 | ||||
| 276 | S | 30.7 | Very low | 33.4 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -175.3 | 132.5 | 133.1 | -167 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 277 | G | 31.1 | Very low | 33.3 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | 165.8 | 111.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 278 | A | 32 | Very low | 33.8 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -99.7 | 138 | -156 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 279 | R | 36.1 | Very low | 33.9 | Very low | 244 Ų | 244 | 129.7 Ų | 129.7 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | 78 | 160.3 | 143.8 | -77.6 | -171.5 | 170.4 | -140.4 | -2.9 | 120.3 | ||||
| 280 | P | 53.3 | Low | 34 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -133 | -178 | -149.1 | 44.9 | -29.3 | 0 | 0 | 0 | 115.7 | ||||
| 281 | A | 30.6 | Very low | 34.1 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -152.4 | 149.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 282 | S | 31.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -1.9 | 154.7 | 149.5 | 53.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 283 | S | 31.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | 179.8 | -168.3 | -8.6 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 284 | A | 31.1 | Very low | 34.3 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | 85.6 | 143.2 | 162 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 285 | S | 32.8 | Very low | 34.4 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -132.3 | 148.2 | -175.3 | 166.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | M | 32.7 | Very low | 33.8 | Very low | 175 Ų | 175 | 135 Ų | 135 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -159.8 | 157.1 | 149.7 | -96.3 | -47 | 103.5 | 0 | 0 | 112 | ||||
| 287 | R | 34.5 | Very low | 33.7 | Very low | 219 Ų | 219 | 135.9 Ų | 135.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -109.5 | 168 | 167.3 | -60.2 | 179 | 171.8 | -171.5 | -2.6 | 109.2 | ||||
| 288 | P | 46.2 | Very low | 33.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | -128.2 | 157.1 | 82.7 | 1.5 | 22.8 | 0 | 0 | 0 | 113.9 | |||||
| 289 | I | 34 | Very low | 35 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | 66 | 127.8 | 75.7 | -51.7 | 169.3 | 0 | 0 | 0 | 111.3 | |||||
| 290 | L | 31.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | cis | -143.9 | 174.8 | 38.9 | -167.6 | 51.2 | 0 | 0 | 0 | 115.3 | ||||
| 291 | A | 32.2 | Very low | 34.4 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 171.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 292 | T | 34.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | cis | -160.9 | 162.8 | 43.7 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 293 | G | 29.6 | Very low | 34.5 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | 153 | 131.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 294 | R | 33.7 | Very low | 35.2 | Very low | 244 Ų | 244 | 138.9 Ų | 138.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 71.7 | 151 | 170 | -59.3 | -180 | 170.7 | -171.7 | -2 | 116.7 | ||||
| 295 | K | 31.2 | Very low | 35 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | cis | -160.1 | 156.9 | -13.1 | -125.4 | -165.1 | 170.7 | -169.7 | 0 | 111 | ||||
| 296 | L | 28.7 | Very low | 35 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | 25 | 140.2 | 136.8 | -94.9 | 62.8 | 0 | 0 | 0 | 120 | ||||
| 297 | L | 29.6 | Very low | 35 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -162.1 | 175.3 | 39.4 | -114.1 | 155 | 0 | 0 | 0 | 112.9 | ||||
| 298 | S | 30.3 | Very low | 34.7 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -128 | -162.6 | 170.7 | -37.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 299 | P | 59.8 | Low | 34 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -101.5 | -144 | -55.7 | 40.8 | -26.1 | 0 | 0 | 0 | 108.3 | |||||
| 300 | P | 47.5 | Very low | 33.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | cis | -127.6 | -130.7 | -13.2 | 42.1 | -22.1 | 0 | 0 | 0 | 112.8 | ||||
| 301 | G | 28.6 | Very low | 33.9 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -162.2 | -170.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 302 | S | 32.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -161.5 | 162.3 | 177.2 | -82.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 303 | R | 33.1 | Very low | 33.7 | Very low | 241 Ų | 241 | 131 Ų | 131 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -77.8 | 178.1 | 165.4 | -82.6 | -178.3 | 175.2 | -164.3 | -1.1 | 110.2 | ||||
| 304 | P | 45.3 | Very low | 34 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | cis | -139.6 | -147.1 | 24.9 | 42.9 | -21.1 | 0 | 0 | 0 | 113 | ||||
| 305 | A | 27.4 | Very low | 33.9 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | -161.8 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 306 | S | 32.5 | Very low | 34.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 72.2 | 145.6 | 155.6 | 48.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 307 | S | 31.5 | Very low | 34.4 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 67.6 | 101.9 | 148.8 | 56.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 308 | E | 28.7 | Very low | 34.7 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 39.1 | 122.8 | 112.7 | -60.8 | 171.5 | 146.6 | 0 | 0 | 121.1 | |||||
| 309 | S | 32.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | -174.8 | 148 | 117.2 | 23.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 310 | D | 28.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -77 | 154.7 | 171.1 | -58.1 | -79.9 | 0 | 0 | 0 | 112.5 | ||||
| 311 | V | 33 | Very low | 33.5 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | 176 | 158.6 | 100.7 | -81.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 312 | A | 32 | Very low | 34.3 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 58.3 | 109.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 313 | S | 31.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | 71.7 | 104.4 | 69.7 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 314 | V | 35.1 | Very low | 34.6 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -137.1 | 127.7 | 140.9 | 179.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 315 | E | 31.8 | Very low | 34.4 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -82.8 | 150.6 | -179.5 | -66.3 | 152.1 | 142.1 | 0 | 0 | 111.4 | ||||
| 316 | A | 36 | Very low | 34.7 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -144.3 | 78.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T318 | A316-T318 PolarHBondContact O-N 2.85Š| ||
| 317 | E | 34.8 | Very low | 35 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 122.7 | 178.1 | -57.8 | -175 | 123 | 0 | 0 | 111.2 | ||||
| 318 | T | 34.5 | Very low | 35.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -134.6 | 78.3 | 159.6 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | A316 | A316-T318 PolarHBondContact O-N 2.85Š| ||
| 319 | S | 39.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 45.3 | 107 | 145.2 | -51.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 320 | T | 39.2 | Very low | 36.5 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 134.6 | 148.1 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 321 | L | 34 | Very low | 37.1 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -127.8 | 138.7 | 162 | -101.1 | 171.2 | 0 | 0 | 0 | 109.4 | ||||
| 322 | T | 46.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -120.9 | 153.6 | -174.1 | 48 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 323 | H | 41.7 | Very low | 39.3 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 135.5 | 168 | -47.4 | -58.3 | 0 | 0 | 0 | 117.9 | ||||
| 324 | G | 30.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 158.4 | 116.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 325 | A | 40.9 | Very low | 41.4 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 94% | 0.942 | 77% | 0.766 | S | S | * | * | trans | -86.6 | 124.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 326 | G | 32.6 | Very low | 42.6 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 146.7 | 125.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 327 | K | 38.5 | Very low | 43.9 | Very low | 196 Ų | 196 | 125 Ų | 125 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | trans | 24.2 | 113.5 | 153.4 | -69.7 | 179.1 | 176.2 | 178.3 | 0 | 119.6 | ||||
| 328 | I | 40.6 | Very low | 45.2 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 82.6 | 99 | 140.5 | -55.2 | 168 | 0 | 0 | 0 | 117.7 | ||||
| 329 | L | 45.4 | Very low | 46.7 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | 36.4 | 126.2 | 134.2 | -70.3 | 162.1 | 0 | 0 | 0 | 121.2 | ||||
| 330 | F | 38.8 | Very low | 48.1 | Very low | 204 Ų | 204 | 118.3 Ų | 118.3 | 90% | 0.895 | 70% | 0.701 | S | S | * | * | trans | -132.2 | 162 | 133 | -96.1 | -77.1 | 0 | 0 | 0 | 111.4 | G332 | F330-G332 PolarHBondContact O-N 3.34Š| ||
| 331 | C | 41.2 | Very low | 49.4 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -91.3 | 106.6 | -151.4 | -49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 332 | G | 50.8 | Low | 50.9 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | trans | -69.9 | 146.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F330 P334 | F330-G332 PolarHBondContact O-N 3.34Å; G332-P334 WeakPolarHBondContact O-CD 3.33Å | ||
| 333 | N | 60.9 | Low | 51.7 | Low | 85 Ų | 85 | 122.2 Ų | 122.2 | 46% | 0.455 | 68% | 0.682 | S | S | . | * | trans | -62.2 | 117.6 | -177.3 | -178.2 | -19.5 | 0 | 0 | 0 | 111.3 | V335 Q336 A337 | N333-V335 PolarHBondContact O-N 3.15Å; N333-V335 VanDerWaalsContact O-N 3.12Å; N333-V335 WeakPolarHBondContact OD1-CB 3.21Å; N333-V335 WeakPolarHBondContact OD1-CG2 3.37Å; N333-V335 PolarHBondContact OD1-N 3.43Å; N333-Q336 PolarHBondContact O-N 2.86Å; N333-A337 PolarHBondContact O-N 3.08Å | ||
| 334 | P | 50 | Low | 52.5 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 60% | 0.604 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.7 | -25.7 | -175.4 | 24.9 | -34.2 | 0 | 0 | 0 | 112.9 | G332 Q336 A337 V338 | G332-P334 WeakPolarHBondContact O-CD 3.33Å; P334-Q336 VanDerWaalsContact C-N 3.27Å; P334-Q336 PolarHBondContact O-N 3.13Å; P334-A337 PolarHBondContact O-N 3.24Å; P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 3.2Å |
| 335 | V | 60.7 | Low | 53.7 | Low | 81 Ų | 81 | 123.7 Ų | 123.7 | 49% | 0.491 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -71.5 | -20.9 | 178.3 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | N333 R339 | N333-V335 PolarHBondContact O-N 3.15Å; N333-V335 VanDerWaalsContact O-N 3.12Å; N333-V335 WeakPolarHBondContact OD1-CB 3.21Å; N333-V335 WeakPolarHBondContact OD1-CG2 3.37Å; N333-V335 PolarHBondContact OD1-N 3.43Å; V335-R339 WeakPolarHBondContact O-CB 3.44Å; V335-R339 PolarHBondContact O-N 3.35Å; V335-R339 PolarHBondContact O-NE 3.27Å |
| 336 | Q | 58.8 | Low | 54.1 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.7 | -43.3 | 169.4 | -78.9 | 176.8 | -63.9 | 0 | 0 | 111.4 | N333 P334 V338 R339 A340 | N333-Q336 PolarHBondContact O-N 2.86Å; P334-Q336 VanDerWaalsContact C-N 3.27Å; P334-Q336 PolarHBondContact O-N 3.13Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 3.02Å; Q336-R339 PolarHBondContact O-N 3.26Å; Q336-R339 VanDerWaalsContact O-N 3.16Å; Q336-A340 WeakPolarHBondContact O-CB 3.44Å; Q336-A340 PolarHBondContact O-N 2.95Å |
| 337 | A | 61.3 | Low | 54.9 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -58.8 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N333 P334 R341 | N333-A337 PolarHBondContact O-N 3.08Å; P334-A337 PolarHBondContact O-N 3.24Å; A337-R341 WeakPolarHBondContact O-CB 3.49Å; A337-R341 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-N 3.09Å |
| 338 | V | 62.1 | Low | 54.8 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.2 | -35.8 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | P334 Q336 R342 | P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 3.2Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 3.02Å; V338-R342 PolarHBondContact O-N 3.22Å |
| 339 | R | 68 | Low | 54.7 | Low | 140 Ų | 140 | 120 Ų | 120 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.1 | -50.5 | 174.9 | -92.3 | -174.8 | -83.8 | -172.4 | -6.4 | 112.2 | V335 Q336 R341 R342 E343 | V335-R339 WeakPolarHBondContact O-CB 3.44Å; V335-R339 PolarHBondContact O-N 3.35Å; V335-R339 PolarHBondContact O-NE 3.27Å; Q336-R339 PolarHBondContact O-N 3.26Å; Q336-R339 VanDerWaalsContact O-N 3.16Å; R339-R341 PolarHBondContact O-N 3.46Å; R339-R342 PolarHBondContact O-N 3.32Å; R339-E343 PolarHBondContact O-N 2.93Å |
| 340 | A | 67.1 | Low | 54.5 | Low | 53 Ų | 53 | 119.7 Ų | 119.7 | 44% | 0.438 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -57.6 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q336 K344 | Q336-A340 WeakPolarHBondContact O-CB 3.44Å; Q336-A340 PolarHBondContact O-N 2.95Å; A340-K344 PolarHBondContact O-N 2.96Å; A340-K344 VanDerWaalsContact O-N 3.12Å |
| 341 | R | 66.2 | Low | 54.1 | Low | 194 Ų | 194 | 121.3 Ų | 121.3 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.5 | -32.2 | 175.1 | -164.9 | 171.8 | -175.2 | 172.1 | 1.4 | 113.3 | A337 R339 L345 | A337-R341 WeakPolarHBondContact O-CB 3.49Å; A337-R341 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-N 3.09Å; R339-R341 PolarHBondContact O-N 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.48Å; R341-L345 WeakPolarHBondContact O-CG 3.35Å |
| 342 | R | 65.7 | Low | 53.7 | Low | 180 Ų | 180 | 120.9 Ų | 120.9 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.3 | -43.2 | 171.4 | -87 | -173.2 | 167.1 | -168.1 | -3.8 | 112.2 | V338 R339 K344 L345 N346 | V338-R342 PolarHBondContact O-N 3.22Å; R339-R342 PolarHBondContact O-N 3.32Å; R342-K344 PolarHBondContact O-N 3.43Å; R342-L345 PolarHBondContact O-N 3.33Å; R342-L345 VanDerWaalsContact O-N 3.09Å; R342-N346 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-N 3.16Å |
| 343 | E | 63.3 | Low | 52.8 | Low | 118 Ų | 118 | 123 Ų | 123 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62 | -43.3 | 179.6 | -74.5 | 155.6 | -164.1 | 0 | 0 | 111.1 | R339 L345 N346 | R339-E343 PolarHBondContact O-N 2.93Å; E343-L345 PolarHBondContact O-N 2.95Å; E343-N346 PolarHBondContact O-N 3.07Å |
| 344 | K | 60.4 | Low | 51.3 | Low | 176 Ų | 176 | 126.8 Ų | 126.8 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | 172.7 | -88.6 | -168 | 171 | -173 | 0 | 115.5 | A340 R342 | A340-K344 PolarHBondContact O-N 2.96Å; A340-K344 VanDerWaalsContact O-N 3.12Å; R342-K344 PolarHBondContact O-N 3.43Å |
| 345 | L | 54.4 | Low | 50.4 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -22.8 | 177.8 | -71.3 | 170.6 | 0 | 0 | 0 | 112.7 | R341 R342 E343 T347 | R341-L345 WeakPolarHBondContact O-CD1 3.48Å; R341-L345 WeakPolarHBondContact O-CG 3.35Å; R342-L345 PolarHBondContact O-N 3.33Å; R342-L345 VanDerWaalsContact O-N 3.09Å; E343-L345 PolarHBondContact O-N 2.95Å; L345-T347 VanDerWaalsContact C-N 3.34Å |
| 346 | N | 50.3 | Low | 48.9 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -4.7 | -178.7 | -72.4 | -7.1 | 0 | 0 | 0 | 114 | R342 E343 | R342-N346 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-N 3.16Å; E343-N346 PolarHBondContact O-N 3.07Å |
| 347 | T | 47.5 | Very low | 47.9 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 11.9 | -178.2 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | L345 | L345-T347 VanDerWaalsContact C-N 3.34Š|
| 348 | A | 36.8 | Very low | 46.6 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -87.7 | 133.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | T350 | A348-T350 PolarHBondContact O-N 3.44Š|
| 349 | P | 40.1 | Very low | 45.2 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.9 | -176 | 28.6 | -33.7 | 0 | 0 | 0 | 112 | R351 | P349-R351 PolarHBondContact O-N 3.27Š|
| 350 | T | 40.8 | Very low | 43.8 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.7 | 170.9 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | A348 | A348-T350 PolarHBondContact O-N 3.44Š|
| 351 | R | 30.6 | Very low | 42.2 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -117.9 | 100.1 | 169.6 | -113.1 | -175.2 | 174.8 | -175.1 | -1.9 | 110.7 | P349 | P349-R351 PolarHBondContact O-N 3.27Š| ||
| 352 | S | 31.2 | Very low | 40.5 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -89.3 | 158.9 | 158.9 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 353 | S | 33 | Very low | 39.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 68.7 | 94.1 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 354 | L | 29.5 | Very low | 37.9 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 150 | 138.5 | -78.2 | -178.9 | 0 | 0 | 0 | 109.1 | ||||
| 355 | V | 30.8 | Very low | 37 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -122.2 | 154.3 | 172.4 | 175.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 356 | L | 28 | Very low | 36.1 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 85.8 | 131.3 | 171.6 | -142 | 75.2 | 0 | 0 | 0 | 116.4 | ||
| 357 | R | 38.7 | Very low | 35.7 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -4.3 | 116.7 | 157.8 | -55.9 | 178.8 | 175.2 | -150.4 | -5.3 | 116.7 | ||||
| 358 | D | 33.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | -169 | 148.1 | 92.1 | -84.5 | -25.6 | 0 | 0 | 0 | 109.9 | |||||
| 359 | L | 34.5 | Very low | 35.6 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -108.7 | 121.8 | -177.8 | -79.7 | 171.1 | 0 | 0 | 0 | 111.2 | ||||
| 360 | P | 37.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.6 | 166.4 | -16.2 | 30.7 | 0 | 0 | 0 | 111 | H362 | P360-H362 PolarHBondContact O-N 3.44Š|
| 361 | I | 34.7 | Very low | 35.9 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.7 | 175.3 | -64.2 | 166.7 | 0 | 0 | 0 | 109.2 | ||
| 362 | H | 29.6 | Very low | 36.6 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 127.8 | 175.9 | -169.3 | 67.9 | 0 | 0 | 0 | 110.2 | P360 | P360-H362 PolarHBondContact O-N 3.44Š|
| 363 | V | 37.3 | Very low | 37.6 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -104.9 | 118.2 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 364 | P | 37.8 | Very low | 38.6 | Very low | 86 Ų | 86 | 149 Ų | 149 | 56% | 0.558 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 133 | 174.7 | -17.9 | 32.2 | 0 | 0 | 0 | 112 | H366 | P364-H366 PolarHBondContact O-N 3.01Š| ||
| 365 | E | 40.8 | Very low | 39.9 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -77.6 | 105.2 | 167.6 | -69.2 | -175 | 133.1 | 0 | 0 | 110.2 | ||||
| 366 | H | 35 | Very low | 41 | Very low | 153 Ų | 153 | 146 Ų | 146 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -129.9 | 118.9 | 165.6 | -75.9 | -54.3 | 0 | 0 | 0 | 111.3 | P364 Y368 | P364-H366 PolarHBondContact O-N 3.01Å; H366-Y368 HydrophobicContact CB-CD2 4.31Å; H366-Y368 HydrophobicContact CB-CE2 4.32Å; H366-Y368 PolarHBondContact O-N 2.96Å; H366-Y368 VanDerWaalsContact O-N 3.16Å | ||
| 367 | T | 43 | Very low | 42.3 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | -69 | 106.3 | 175.1 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 368 | Y | 36.5 | Very low | 43.1 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | -124.2 | 130.2 | 160.9 | -80 | -85.8 | 0 | 0 | 0 | 108.2 | H366 L370 | H366-Y368 HydrophobicContact CB-CD2 4.31Å; H366-Y368 HydrophobicContact CB-CE2 4.32Å; H366-Y368 PolarHBondContact O-N 2.96Å; H366-Y368 VanDerWaalsContact O-N 3.16Å; Y368-L370 PolarHBondContact O-N 3.15Å | ||
| 369 | D | 44 | Very low | 44.2 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | -67.4 | 102.9 | 174 | -72.3 | -51.7 | 0 | 0 | 0 | 109.6 | ||||
| 370 | L | 39.2 | Very low | 45.8 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | -86.5 | 107.6 | 169.5 | -67.3 | 177.5 | 0 | 0 | 0 | 108.9 | Y368 E372 | Y368-L370 PolarHBondContact O-N 3.15Å; L370-E372 PolarHBondContact O-N 3.11Å | ||
| 371 | N | 49.1 | Very low | 47.4 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | trans | -61.1 | 113.3 | 150.9 | -73.6 | -21.9 | 0 | 0 | 0 | 106.6 | P373 | N371-P373 WeakPolarHBondContact O-CD 3.3Š| ||
| 372 | E | 44.9 | Very low | 49.2 | Very low | 148 Ų | 148 | 130 Ų | 130 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.1 | 173.9 | -72.5 | -154.8 | 91.2 | 0 | 0 | 109.6 | L370 R378 | L370-E372 PolarHBondContact O-N 3.11Å; E372-R378 IonicContact OE1-CZ 3.41Å; E372-R378 IonicContact OE1-NH1 3.18Å; E372-R378 PolarHBondContact OE1-NH1 3.22Å; E372-R378 IonicContact OE1-NH2 2.71Å; E372-R378 PolarHBondContact OE1-NH2 2.97Å |
| 373 | P | 52 | Low | 51.4 | Low | 70 Ų | 70 | 123.8 Ų | 123.8 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 146.5 | 165.3 | 29.2 | -32.9 | 0 | 0 | 0 | 109.6 | N371 E377 R378 | N371-P373 WeakPolarHBondContact O-CD 3.3Å; P373-E377 WeakPolarHBondContact CB-OE2 3.26Å; P373-R378 PolarHBondContact O-NE 3.12Å; P373-R378 PolarHBondContact O-NH2 3.41Å |
| 374 | D | 53.6 | Low | 53.4 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56 | 151.1 | -172.9 | -106 | -34.6 | 0 | 0 | 0 | 112.4 | E376 E377 | D374-E376 PolarHBondContact O-N 3.39Å; D374-E376 VanDerWaalsContact O-N 3.15Å; D374-E377 PolarHBondContact O-N 2.98Å |
| 375 | P | 57 | Low | 55.3 | Low | 86 Ų | 86 | 125.2 Ų | 125.2 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.5 | -21.5 | -176 | 27.7 | -33.1 | 0 | 0 | 0 | 112.7 | R378 V379 | P375-R378 PolarHBondContact O-N 3.48Å; P375-V379 WeakPolarHBondContact O-CG2 3.39Å; P375-V379 PolarHBondContact O-N 3.16Å; P375-V379 VanDerWaalsContact O-N 3.15Å |
| 376 | E | 55.3 | Low | 57.2 | Low | 150 Ų | 150 | 122.3 Ų | 122.3 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.8 | -40.6 | 175.9 | -58.9 | -168.5 | 168.2 | 0 | 0 | 112.2 | D374 R378 V379 N380 | D374-E376 PolarHBondContact O-N 3.39Å; D374-E376 VanDerWaalsContact O-N 3.15Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.09Å; E376-V379 PolarHBondContact O-N 3.21Å; E376-N380 PolarHBondContact O-N 2.98Å; E376-N380 PolarHBondContact O-ND2 3Å |
| 377 | E | 54.6 | Low | 59.5 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -38.4 | 175.3 | -66.6 | -165.6 | 137.6 | 0 | 0 | 111.5 | P373 D374 V379 N380 V381 | P373-E377 WeakPolarHBondContact CB-OE2 3.26Å; D374-E377 PolarHBondContact O-N 2.98Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.2Å; E377-N380 PolarHBondContact O-N 2.86Å; E377-V381 WeakPolarHBondContact O-CG2 3.36Å; E377-V381 PolarHBondContact O-N 3.09Å |
| 378 | R | 55.5 | Low | 61.6 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 42% | 0.415 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 175.5 | -57.6 | -176.3 | -170.1 | -177.7 | 8.5 | 111.3 | E372 P373 P375 E376 F382 | E372-R378 IonicContact OE1-CZ 3.41Å; E372-R378 IonicContact OE1-NH1 3.18Å; E372-R378 PolarHBondContact OE1-NH1 3.22Å; E372-R378 IonicContact OE1-NH2 2.71Å; E372-R378 PolarHBondContact OE1-NH2 2.97Å; P373-R378 PolarHBondContact O-NE 3.12Å; P373-R378 PolarHBondContact O-NH2 3.41Å; P375-R378 PolarHBondContact O-N 3.48Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.09Å; R378-F382 WeakPolarHBondContact O-CD2 3.43Å; R378-F382 PolarHBondContact O-N 3.16Å; R378-F382 VanDerWaalsContact O-N 3.17Å |
| 379 | V | 56.5 | Low | 63.7 | Low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | P375 E376 E377 F382 A383 | P375-V379 WeakPolarHBondContact O-CG2 3.39Å; P375-V379 PolarHBondContact O-N 3.16Å; P375-V379 VanDerWaalsContact O-N 3.15Å; E376-V379 PolarHBondContact O-N 3.21Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.2Å; V379-F382 PolarHBondContact O-N 3.04Å; V379-A383 WeakPolarHBondContact O-CB 3.5Å; V379-A383 PolarHBondContact O-N 2.81Å |
| 380 | N | 67.9 | Low | 65.7 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 57% | 0.572 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -47.5 | 177.6 | -72.3 | -27.5 | 0 | 0 | 0 | 112.2 | E376 E377 F382 A383 E384 | E376-N380 PolarHBondContact O-N 2.98Å; E376-N380 PolarHBondContact O-ND2 3Å; E377-N380 PolarHBondContact O-N 2.86Å; N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.44Å; N380-A383 WeakPolarHBondContact O-CA 3.38Å; N380-A383 WeakPolarHBondContact O-CB 3.45Å; N380-A383 PolarHBondContact O-N 3.09Å; N380-E384 PolarHBondContact O-N 3.15Å |
| 381 | V | 71.3 | Confident | 67.8 | Low | 80 Ų | 80 | 112.3 Ų | 112.3 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60 | -41.4 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | E377 A383 E384 L385 | E377-V381 WeakPolarHBondContact O-CG2 3.36Å; E377-V381 PolarHBondContact O-N 3.09Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.45Å; V381-E384 PolarHBondContact O-N 3.31Å; V381-L385 VanDerWaalsContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CB 3.38Å; V381-L385 PolarHBondContact O-N 3.31Å |
| 382 | F | 72.4 | Confident | 69.3 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.4 | -23.8 | 175 | -75.1 | -59.5 | 0 | 0 | 0 | 113.9 | R378 V379 N380 R386 | R378-F382 WeakPolarHBondContact O-CD2 3.43Å; R378-F382 PolarHBondContact O-N 3.16Å; R378-F382 VanDerWaalsContact O-N 3.17Å; V379-F382 PolarHBondContact O-N 3.04Å; N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.44Å; F382-R386 VanDerWaalsContact O-CG 3.32Å; F382-R386 WeakPolarHBondContact O-CG 3.48Å; F382-R386 PolarHBondContact O-N 3.16Å; F382-R386 PolarHBondContact O-NE 3.04Å |
| 383 | A | 74.9 | Confident | 71.2 | Confident | 41 Ų | 41 | 105.6 Ų | 105.6 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72 | -47.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V379 N380 V381 L385 R386 A387 | V379-A383 WeakPolarHBondContact O-CB 3.5Å; V379-A383 PolarHBondContact O-N 2.81Å; N380-A383 WeakPolarHBondContact O-CA 3.38Å; N380-A383 WeakPolarHBondContact O-CB 3.45Å; N380-A383 PolarHBondContact O-N 3.09Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.45Å; A383-L385 PolarHBondContact O-N 2.89Å; A383-R386 WeakPolarHBondContact O-CB 3.3Å; A383-R386 PolarHBondContact O-N 3.27Å; A383-A387 PolarHBondContact O-N 2.92Å |
| 384 | E | 80.3 | Confident | 72.9 | Confident | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.2 | -45.9 | 175 | -173.3 | 177.1 | -162.7 | 0 | 0 | 111.5 | N380 V381 R386 A387 W388 | N380-E384 PolarHBondContact O-N 3.15Å; V381-E384 PolarHBondContact O-N 3.31Å; E384-R386 PolarHBondContact O-N 3.29Å; E384-A387 PolarHBondContact O-N 2.84Å; E384-A387 VanDerWaalsContact O-N 3.15Å; E384-W388 WeakPolarHBondContact O-CB 3.38Å; E384-W388 PolarHBondContact O-N 2.86Å |
| 385 | L | 77.2 | Confident | 74 | Confident | 88 Ų | 88 | 107 Ų | 107 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.6 | -7.4 | 178.1 | -145.7 | 151 | 0 | 0 | 0 | 113.1 | V381 A383 R389 | V381-L385 VanDerWaalsContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CB 3.38Å; V381-L385 PolarHBondContact O-N 3.31Å; A383-L385 PolarHBondContact O-N 2.89Å; L385-R389 PolarHBondContact O-NE 3.21Å; L385-R389 PolarHBondContact O-NH2 3.02Å |
| 386 | R | 81.4 | Confident | 75.1 | Confident | 133 Ų | 133 | 107.4 Ų | 107.4 | 50% | 0.502 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -88.1 | -48.9 | 163.4 | -77.2 | 176.1 | -66 | -132.8 | -2.2 | 110.9 | F382 A383 E384 W388 R389 E390 | F382-R386 VanDerWaalsContact O-CG 3.32Å; F382-R386 WeakPolarHBondContact O-CG 3.48Å; F382-R386 PolarHBondContact O-N 3.16Å; F382-R386 PolarHBondContact O-NE 3.04Å; A383-R386 WeakPolarHBondContact O-CB 3.3Å; A383-R386 PolarHBondContact O-N 3.27Å; E384-R386 PolarHBondContact O-N 3.29Å; R386-W388 VanDerWaalsContact C-N 3.32Å; R386-W388 PolarHBondContact O-N 3.38Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-R389 VanDerWaalsContact O-N 3.09Å; R386-E390 PolarHBondContact O-N 2.85Å |
| 387 | A | 83.6 | Confident | 76.2 | Confident | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A383 E384 R389 E390 Q391 | A383-A387 PolarHBondContact O-N 2.92Å; E384-A387 PolarHBondContact O-N 2.84Å; E384-A387 VanDerWaalsContact O-N 3.15Å; A387-R389 PolarHBondContact O-N 3.12Å; A387-E390 PolarHBondContact O-N 3.37Å; A387-Q391 WeakPolarHBondContact O-CB 3.29Å; A387-Q391 PolarHBondContact O-N 2.91Å |
| 388 | W | 85.4 | Confident | 77.4 | Confident | 157 Ų | 157 | 100.9 Ų | 100.9 | 60% | 0.595 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 175.7 | -169.3 | 95.9 | 0 | 0 | 0 | 112.4 | E384 R386 Q391 H392 | E384-W388 WeakPolarHBondContact O-CB 3.38Å; E384-W388 PolarHBondContact O-N 2.86Å; R386-W388 VanDerWaalsContact C-N 3.32Å; R386-W388 PolarHBondContact O-N 3.38Å; W388-Q391 PolarHBondContact O-N 3.22Å; W388-H392 HydrophobicContact CE3-CB 4.21Å; W388-H392 HydrophobicContact CH2-CB 4.31Å; W388-H392 AromaticContact CH2-CD2 3.6Å; W388-H392 HydrophobicContact CZ3-CB 3.98Å; W388-H392 WeakPolarHBondContact O-CB 3.42Å; W388-H392 PolarHBondContact O-N 3.45Å |
| 389 | R | 82 | Confident | 78.4 | Confident | 139 Ų | 139 | 98.9 Ų | 98.9 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.3 | -88.2 | -176.8 | -74.7 | -179.7 | -7.2 | 112.3 | L385 R386 A387 S393 | L385-R389 PolarHBondContact O-NE 3.21Å; L385-R389 PolarHBondContact O-NH2 3.02Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-R389 VanDerWaalsContact O-N 3.09Å; A387-R389 PolarHBondContact O-N 3.12Å; R389-S393 VanDerWaalsContact O-CB 3.29Å; R389-S393 WeakPolarHBondContact O-CB 3.46Å; R389-S393 PolarHBondContact O-N 3.18Å |
| 390 | E | 85.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 172 | -79.6 | -169 | -145.2 | 0 | 0 | 112.5 | R386 A387 S393 K394 | R386-E390 PolarHBondContact O-N 2.85Å; A387-E390 PolarHBondContact O-N 3.37Å; E390-S393 PolarHBondContact O-N 2.96Å; E390-K394 WeakPolarHBondContact O-CB 3.44Å; E390-K394 WeakPolarHBondContact O-CD 3.4Å; E390-K394 WeakPolarHBondContact O-CG 3.36Å; E390-K394 PolarHBondContact O-N 3.17Å; E390-K394 IonicContact OE2-NZ 2.75Å; E390-K394 PolarHBondContact OE2-NZ 3.22Å |
| 391 | Q | 82.3 | Confident | 79.4 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 178.7 | -173.8 | 171.5 | -11.4 | 0 | 0 | 111.4 | A387 W388 K394 Q395 | A387-Q391 WeakPolarHBondContact O-CB 3.29Å; A387-Q391 PolarHBondContact O-N 2.91Å; W388-Q391 PolarHBondContact O-N 3.22Å; Q391-K394 PolarHBondContact O-N 3.43Å; Q391-Q395 WeakPolarHBondContact O-CG 3.21Å; Q391-Q395 PolarHBondContact O-N 2.91Å |
| 392 | H | 81.4 | Confident | 79.4 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 173.3 | -169.9 | -86.2 | 0 | 0 | 0 | 112.1 | W388 Q395 L396 | W388-H392 HydrophobicContact CE3-CB 4.21Å; W388-H392 HydrophobicContact CH2-CB 4.31Å; W388-H392 AromaticContact CH2-CD2 3.6Å; W388-H392 HydrophobicContact CZ3-CB 3.98Å; W388-H392 WeakPolarHBondContact O-CB 3.42Å; W388-H392 PolarHBondContact O-N 3.45Å; H392-Q395 PolarHBondContact O-N 3.03Å; H392-L396 WeakPolarHBondContact O-CG 3.16Å; H392-L396 PolarHBondContact O-N 3.48Å |
| 393 | S | 85.8 | Confident | 79 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.2 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | R389 E390 Q395 L396 A397 | R389-S393 VanDerWaalsContact O-CB 3.29Å; R389-S393 WeakPolarHBondContact O-CB 3.46Å; R389-S393 PolarHBondContact O-N 3.18Å; E390-S393 PolarHBondContact O-N 2.96Å; S393-Q395 VanDerWaalsContact C-N 3.34Å; S393-Q395 PolarHBondContact O-N 3.05Å; S393-L396 PolarHBondContact O-N 3.36Å; S393-A397 PolarHBondContact O-N 2.96Å |
| 394 | K | 87.1 | Confident | 78 | Confident | 119 Ų | 119 | 114.4 Ų | 114.4 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175 | -70.5 | 159.9 | -168.3 | 165.6 | 0 | 111.3 | E390 Q391 A397 I398 | E390-K394 WeakPolarHBondContact O-CB 3.44Å; E390-K394 WeakPolarHBondContact O-CD 3.4Å; E390-K394 WeakPolarHBondContact O-CG 3.36Å; E390-K394 PolarHBondContact O-N 3.17Å; E390-K394 IonicContact OE2-NZ 2.75Å; E390-K394 PolarHBondContact OE2-NZ 3.22Å; Q391-K394 PolarHBondContact O-N 3.43Å; K394-A397 PolarHBondContact O-N 3.44Å; K394-I398 WeakPolarHBondContact O-CD1 3.36Å; K394-I398 VanDerWaalsContact O-CG1 3.3Å; K394-I398 WeakPolarHBondContact O-CG1 3.5Å; K394-I398 PolarHBondContact O-N 3.47Å |
| 395 | Q | 77.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 113.1 Ų | 113.1 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 174.2 | -74.3 | -67.3 | -22.2 | 0 | 0 | 112.8 | Q391 H392 S393 A397 I398 I399 | Q391-Q395 WeakPolarHBondContact O-CG 3.21Å; Q391-Q395 PolarHBondContact O-N 2.91Å; H392-Q395 PolarHBondContact O-N 3.03Å; S393-Q395 VanDerWaalsContact C-N 3.34Å; S393-Q395 PolarHBondContact O-N 3.05Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; Q395-A397 PolarHBondContact O-N 3.28Å; Q395-I398 PolarHBondContact O-N 3.36Å; Q395-I399 WeakPolarHBondContact O-CG1 3.43Å; Q395-I399 PolarHBondContact O-N 3.37Å |
| 396 | L | 78.6 | Confident | 75.1 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.5 | -42.1 | 174.9 | -72.2 | 176 | 0 | 0 | 0 | 112 | H392 S393 I398 I399 E400 | H392-L396 WeakPolarHBondContact O-CG 3.16Å; H392-L396 PolarHBondContact O-N 3.48Å; S393-L396 PolarHBondContact O-N 3.36Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.2Å; L396-I399 PolarHBondContact O-N 2.9Å; L396-E400 WeakPolarHBondContact O-CB 3.48Å; L396-E400 PolarHBondContact O-N 2.75Å |
| 397 | A | 78.1 | Confident | 73.6 | Confident | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -32.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S393 K394 Q395 K401 | S393-A397 PolarHBondContact O-N 2.96Å; K394-A397 PolarHBondContact O-N 3.44Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; Q395-A397 PolarHBondContact O-N 3.28Å; A397-K401 VanDerWaalsContact O-CB 3.26Å; A397-K401 WeakPolarHBondContact O-CB 3.37Å; A397-K401 PolarHBondContact O-N 3.04Å |
| 398 | I | 81 | Confident | 71.6 | Confident | 77 Ų | 77 | 121.6 Ų | 121.6 | 40% | 0.395 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -49.4 | 171.6 | -68.8 | 162 | 0 | 0 | 0 | 110.1 | K394 Q395 L396 E400 K401 E402 | K394-I398 WeakPolarHBondContact O-CD1 3.36Å; K394-I398 VanDerWaalsContact O-CG1 3.3Å; K394-I398 WeakPolarHBondContact O-CG1 3.5Å; K394-I398 PolarHBondContact O-N 3.47Å; Q395-I398 PolarHBondContact O-N 3.36Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.2Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.71Å; I398-K401 WeakPolarHBondContact O-CB 3.5Å; I398-K401 PolarHBondContact O-N 3.22Å; I398-K401 VanDerWaalsContact O-N 3.15Å; I398-E402 HydrophobicContact CG2-CG 4.45Å; I398-E402 WeakPolarHBondContact O-CG 3.4Å; I398-E402 PolarHBondContact O-N 3.45Å |
| 399 | I | 76.2 | Confident | 69.8 | Low | 68 Ų | 68 | 118.9 Ų | 118.9 | 35% | 0.349 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61 | -37.2 | 178.9 | -67.2 | 163 | 0 | 0 | 0 | 111.6 | Q395 L396 R403 | Q395-I399 WeakPolarHBondContact O-CG1 3.43Å; Q395-I399 PolarHBondContact O-N 3.37Å; L396-I399 PolarHBondContact O-N 2.9Å; I399-R403 WeakPolarHBondContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CG 3.46Å; I399-R403 PolarHBondContact O-N 2.93Å; I399-R403 VanDerWaalsContact O-N 3.08Å |
| 400 | E | 73 | Confident | 68 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -44.2 | 174.9 | -172.6 | 164.7 | -145.4 | 0 | 0 | 111.4 | L396 I398 E402 R403 L404 | L396-E400 WeakPolarHBondContact O-CB 3.48Å; L396-E400 PolarHBondContact O-N 2.75Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.71Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3.18Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 VanDerWaalsContact O-N 3.15Å; E400-L404 PolarHBondContact O-N 3.42Å |
| 401 | K | 72.3 | Confident | 65.8 | Low | 162 Ų | 162 | 120.7 Ų | 120.7 | 70% | 0.704 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62 | -37.3 | 175 | -173.7 | -179 | 179.4 | -175.3 | 0 | 112.9 | A397 I398 | A397-K401 VanDerWaalsContact O-CB 3.26Å; A397-K401 WeakPolarHBondContact O-CB 3.37Å; A397-K401 PolarHBondContact O-N 3.04Å; I398-K401 WeakPolarHBondContact O-CB 3.5Å; I398-K401 PolarHBondContact O-N 3.22Å; I398-K401 VanDerWaalsContact O-N 3.15Å |
| 402 | E | 70.8 | Confident | 63.6 | Low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.9 | -24.4 | 175.2 | -72.8 | -178.5 | 174.8 | 0 | 0 | 113.3 | I398 E400 | I398-E402 HydrophobicContact CG2-CG 4.45Å; I398-E402 WeakPolarHBondContact O-CG 3.4Å; I398-E402 PolarHBondContact O-N 3.45Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3.18Å |
| 403 | R | 64.9 | Low | 61.5 | Low | 209 Ų | 209 | 123.1 Ų | 123.1 | 79% | 0.789 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83.1 | -11.4 | 175.8 | -77.9 | 175.1 | 175.8 | -161.1 | 0.1 | 114 | I399 E400 | I399-R403 WeakPolarHBondContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CG 3.46Å; I399-R403 PolarHBondContact O-N 2.93Å; I399-R403 VanDerWaalsContact O-N 3.08Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 VanDerWaalsContact O-N 3.15Å |
| 404 | L | 53.8 | Low | 59.2 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 60% | 0.602 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -72.7 | 127.7 | 171.9 | -70.2 | 173.2 | 0 | 0 | 0 | 110.2 | E400 Q406 | E400-L404 PolarHBondContact O-N 3.42Å; L404-Q406 PolarHBondContact O-N 3.15Å; L404-Q406 VanDerWaalsContact O-N 3.13Å |
| 405 | P | 45.2 | Very low | 57 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | trans | -68.6 | 114 | -178.4 | 27.4 | -33.8 | 0 | 0 | 0 | 110.6 | V407 | P405-V407 PolarHBondContact O-N 3.2Š| ||
| 406 | Q | 51.7 | Low | 55.1 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -67.6 | 102.4 | 175.7 | -64.5 | -177.1 | 12.7 | 0 | 0 | 110.2 | L404 L408 | L404-Q406 PolarHBondContact O-N 3.15Å; L404-Q406 VanDerWaalsContact O-N 3.13Å; Q406-L408 PolarHBondContact O-N 3.15Å | ||
| 407 | V | 49.6 | Very low | 53.2 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 70% | 0.704 | S | S | * | * | trans | -75.2 | 104.1 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | P405 V409 | P405-V407 PolarHBondContact O-N 3.2Å; V407-V409 HydrophobicContact CG1-CG2 4.23Å; V407-V409 PolarHBondContact O-N 3.03Å | ||
| 408 | L | 41.8 | Very low | 51.2 | Low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -67.1 | 93.5 | 171 | -79.1 | 165.6 | 0 | 0 | 0 | 110 | Q406 I410 | Q406-L408 PolarHBondContact O-N 3.15Å; L408-I410 PolarHBondContact O-N 3.43Å | ||
| 409 | V | 47.3 | Very low | 49.1 | Very low | 100 Ų | 100 | 145 Ų | 145 | 61% | 0.606 | 73% | 0.733 | S | S | * | * | trans | -76.9 | 98.6 | 168.3 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | V407 H411 | V407-V409 HydrophobicContact CG1-CG2 4.23Å; V407-V409 PolarHBondContact O-N 3.03Å; V409-H411 PolarHBondContact O-N 3.2Å; V409-H411 VanDerWaalsContact O-N 3.11Å | ||
| 410 | I | 43.3 | Very low | 47.2 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 65% | 0.646 | 76% | 0.756 | S | S | * | * | trans | -73.6 | 101.7 | 174.1 | -56.6 | 175.7 | 0 | 0 | 0 | 107.9 | L408 H412 | L408-I410 PolarHBondContact O-N 3.43Å; I410-H412 WeakPolarHBondContact CG2-NE2 3.47Å; I410-H412 PolarHBondContact O-N 3.43Å | ||
| 411 | H | 39.9 | Very low | 45.5 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -78 | 107 | 168 | -79.7 | -93.4 | 0 | 0 | 0 | 109.2 | V409 | V409-H411 PolarHBondContact O-N 3.2Å; V409-H411 VanDerWaalsContact O-N 3.11Å | ||
| 412 | H | 37 | Very low | 43.8 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 73% | 0.731 | 77% | 0.771 | S | S | * | * | trans | -83.5 | 109.4 | 160.7 | -68.4 | -77.7 | 0 | 0 | 0 | 108.1 | I410 | I410-H412 WeakPolarHBondContact CG2-NE2 3.47Å; I410-H412 PolarHBondContact O-N 3.43Å | ||
| 413 | S | 37.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 157 Ų | 157 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -114.7 | 94.7 | 166.8 | 54.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 414 | D | 36.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 118.7 | 168.7 | -54.5 | -50.2 | 0 | 0 | 0 | 108.3 | ||||
| 415 | E | 42.4 | Very low | 39.9 | Very low | 199 Ų | 199 | 159.5 Ų | 159.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -160.2 | 145.6 | 152 | -114.6 | 162.1 | -147.9 | 0 | 0 | 109 | ||||
| 416 | E | 37.6 | Very low | 39.5 | Very low | 184 Ų | 184 | 162 Ų | 162 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -110.4 | 171.1 | -165.1 | -60.5 | 177.3 | 114.4 | 0 | 0 | 112 | ||||
| 417 | E | 38.5 | Very low | 38.7 | Very low | 196 Ų | 196 | 162 Ų | 162 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | 70.5 | 143.7 | 170.2 | -55.3 | -170.8 | 159.3 | 0 | 0 | 116.3 | ||||
| 418 | A | 36.4 | Very low | 37.8 | Very low | 87 Ų | 87 | 159.3 Ų | 159.3 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | cis | -144.6 | 156.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 419 | E | 35.1 | Very low | 37.2 | Very low | 161 Ų | 161 | 162.4 Ų | 162.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | 14 | 119.9 | 148.4 | -54 | 176.1 | 173.8 | 0 | 0 | 119.6 | ||||
| 420 | R | 37.6 | Very low | 36.3 | Very low | 218 Ų | 218 | 161 Ų | 161 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | -169.4 | 160.9 | 96.4 | -103.3 | 163.9 | -148.7 | 175.3 | 9.6 | 115.7 | |||||
| 421 | E | 36.9 | Very low | 35.7 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -51.6 | 149.5 | 165.5 | -58.8 | 133.5 | 152.4 | 0 | 0 | 110 | ||||
| 422 | E | 37.6 | Very low | 35.5 | Very low | 191 Ų | 191 | 159.8 Ų | 159.8 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | -153.6 | 146.5 | 61.6 | -80.2 | 163.9 | 171.3 | 0 | 0 | 112 | |||||
| 423 | E | 34.9 | Very low | 35.3 | Very low | 194 Ų | 194 | 162.5 Ų | 162.5 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | trans | -90.6 | 130.9 | 160.4 | -63.9 | 177.9 | 143.9 | 0 | 0 | 108 | ||||
| 424 | E | 38.1 | Very low | 35.2 | Very low | 199 Ų | 199 | 161.7 Ų | 161.7 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -150.8 | 146.8 | 149.9 | -129.1 | 170.5 | -136.1 | 0 | 0 | 111.5 | ||||
| 425 | E | 33.9 | Very low | 35 | Very low | 178 Ų | 178 | 161.6 Ų | 161.6 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -85 | 177.2 | 179.5 | -52.9 | 173.6 | 128.7 | 0 | 0 | 108.4 | ||||
| 426 | E | 35.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | cis | -156.7 | -148.4 | 20.5 | -149.3 | -174.3 | -169.4 | 0 | 0 | 109.8 | ||||
| 427 | E | 34.7 | Very low | 34.6 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -32.1 | 159.4 | 176.9 | -52.6 | -162.4 | 142 | 0 | 0 | 119.1 | ||||
| 428 | G | 30.5 | Very low | 34.3 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 143.7 | 165.1 | 8.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 429 | F | 29.6 | Very low | 34.6 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 97% | 0.969 | 81% | 0.808 | S | S | * | * | trans | 60.8 | 148.5 | -168.5 | -94.6 | -118.1 | 0 | 0 | 0 | 113.6 | ||||
| 430 | G | 29.9 | Very low | 34.8 | Very low | 70 Ų | 70 | 154.5 Ų | 154.5 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | cis | 97.6 | 118.3 | 31.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 431 | G | 29.6 | Very low | 34.7 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | cis | 172 | 179.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 432 | M | 36.5 | Very low | 34.6 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | trans | 55.3 | 117.5 | 167.7 | -63.1 | 159.7 | 69.6 | 0 | 0 | 118.2 | ||||
| 433 | K | 32.1 | Very low | 34.6 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 139.8 | 146.2 | -114.6 | 169.5 | -173 | 178.7 | 0 | 111.1 | ||||
| 434 | S | 35 | Very low | 34.5 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 169.9 | 172.9 | 56.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 435 | D | 31.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 68.5 | 146.7 | 173.6 | -48.5 | -39.2 | 0 | 0 | 0 | 115.8 | ||||
| 436 | S | 38 | Very low | 34.2 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | -170.9 | -172.3 | -22.3 | 55.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 437 | S | 34.5 | Very low | 34 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 78.3 | 151.2 | 168.7 | 101.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 438 | D | 32.6 | Very low | 33.9 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | cis | -138.3 | -175.3 | 4.2 | -86.1 | -62.4 | 0 | 0 | 0 | 111.9 | ||||
| 439 | E | 42.1 | Very low | 33.8 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -103.5 | 151 | -166.9 | -59.6 | 178.4 | 147.3 | 0 | 0 | 116.9 | ||||
| 440 | D | 38.9 | Very low | 34.2 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 63.8 | 160.6 | 136.4 | -68.3 | 7.3 | 0 | 0 | 0 | 127.2 | ||||
| 441 | Q | 36.1 | Very low | 34.6 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 81.3 | 122.3 | 166.8 | -71.5 | -179.8 | -26.7 | 0 | 0 | 118.8 | ||||
| 442 | E | 35.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 76.9 | 138 | 69.3 | -74.6 | 175.6 | 177.8 | 0 | 0 | 112.9 | |||||
| 443 | E | 37.7 | Very low | 34.3 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | cis | -158.3 | -157.7 | -7.7 | -141.5 | 177.8 | -171.8 | 0 | 0 | 110 | ||||
| 444 | D | 32.7 | Very low | 34.4 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 68.3 | 163.1 | 163.7 | -74.4 | -16.4 | 0 | 0 | 0 | 121.5 | ||||
| 445 | E | 36.6 | Very low | 35.6 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | cis | -180 | -179.5 | -44.9 | -117.8 | -103.8 | 157.7 | 0 | 0 | 109.4 | ||||
| 446 | L | 28.6 | Very low | 35.8 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 102.5 | 121 | 177.5 | -63 | 143.8 | 0 | 0 | 0 | 116.5 | ||||
| 447 | C | 31.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | 83.1 | 140.9 | 36.4 | -61.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 448 | D | 33.1 | Very low | 35.5 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | -160.5 | 177.5 | 2.4 | -156.5 | -9 | 0 | 0 | 0 | 112.2 | ||||
| 449 | G | 27.9 | Very low | 35.6 | Very low | 62 Ų | 62 | 133.5 Ų | 133.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 127 | 105.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 450 | L | 38.4 | Very low | 35.2 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | cis | 77.7 | 134.8 | 43.2 | -55.1 | 177.9 | 0 | 0 | 0 | 114.5 | ||||
| 451 | A | 38.1 | Very low | 34.8 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | cis | -167.6 | -179.9 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 452 | T | 31.9 | Very low | 34.4 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | 100.6 | 142.1 | 159.1 | 71.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 453 | G | 27 | Very low | 34.7 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | cis | -168.5 | -178.7 | -1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 454 | S | 34.6 | Very low | 36 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -108.3 | -174.7 | -170.4 | -26.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 455 | P | 60.4 | Low | 35.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -130.1 | -175.4 | -20.8 | 39.4 | -22.2 | 0 | 0 | 0 | 113.5 | ||||
| 456 | D | 35.9 | Very low | 35.1 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | 164.3 | 163.7 | 110.2 | -150.7 | 0.1 | 0 | 0 | 0 | 115.1 | |||||
| 457 | S | 30.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 77.2 | 157 | 170 | 77.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 458 | S | 36.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -167.8 | -178.9 | -155.6 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 459 | F | 33.5 | Very low | 34 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | 79.2 | 147 | 156.5 | -79.9 | -44.8 | 0 | 0 | 0 | 119.9 | ||||
| 460 | Q | 34 | Very low | 33.9 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -168.6 | 151.1 | -7.1 | -160.1 | 164.3 | 17.9 | 0 | 0 | 113.4 | ||||
| 461 | S | 31.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 58.3 | 164.2 | 149.1 | 54.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 462 | L | 26.5 | Very low | 32.6 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | cis | -164.7 | 163.7 | -24.9 | -100.4 | 166.7 | 0 | 0 | 0 | 108.2 | ||||
| 463 | S | 42.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -94.4 | 171.1 | 173.8 | -33.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 464 | P | 63.3 | Low | 33.6 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | -154.8 | -159.2 | 53.6 | 43.2 | -19.3 | 0 | 0 | 0 | 117.5 | |||||
| 465 | D | 24.8 | Very low | 33.4 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 98.1 | 127 | 146.6 | -83.5 | -23.1 | 0 | 0 | 0 | 126.2 | ||||
| 466 | L | 26.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | 49.6 | 126.3 | 134.9 | -68.5 | 166.2 | 0 | 0 | 0 | 126.3 | ||||
| 467 | N | 23 | Very low | 31.5 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 68 | 118.4 | 131.6 | -83.1 | -18.5 | 0 | 0 | 0 | 125 | ||||
| 468 | Q | 25.3 | Very low | 32.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | 78.3 | 148.8 | 120.7 | -69.2 | 178.9 | 42.9 | 0 | 0 | 124 | |||||
| 469 | Q | 23 | Very low | 31.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | 64.8 | 112.2 | 159.3 | -71.1 | -174 | -68.7 | 0 | 0 | 119.2 | ||||
| 470 | E | 25 | Very low | 31.5 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | 80.5 | 119.4 | 98.5 | -71.8 | 177.6 | -144.2 | 0 | 0 | 114.1 | |||||
| 471 | T | 25.7 | Very low | 31.2 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 165.5 | 164.9 | 97 | 37 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 472 | S | 23.8 | Very low | 31 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | cis | -169.7 | 144.4 | -20.5 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 473 | F | 26.4 | Very low | 31.1 | Very low | 196 Ų | 196 | 130.4 Ų | 130.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | 26.2 | 157.4 | 130.3 | -67.7 | -63.4 | 0 | 0 | 0 | 122.4 | ||||
| 474 | P | 53.3 | Low | 30.3 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | cis | -158.4 | 170.5 | 43.6 | 45 | -23.1 | 0 | 0 | 0 | 122.1 | ||||
| 475 | N | 30 | Very low | 28.6 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 145.2 | 139.7 | -77 | -7.3 | 0 | 0 | 0 | 121.8 | ||||
| 476 | M | 26.4 | Very low | 29 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | cis | -144.9 | 143.5 | 0.5 | -57 | -172.8 | 78.8 | 0 | 0 | 114.1 | ||||
| 477 | V | 30.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | 10.2 | 147.2 | 123.6 | -164.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 478 | P | 47.9 | Very low | 30.4 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | cis | -136.9 | -170.4 | -30.3 | 41.9 | -24.3 | 0 | 0 | 0 | 114.2 | ||||
| 479 | L | 26.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | 164.9 | 134.4 | 128 | -93.5 | 168.9 | 0 | 0 | 0 | 116 | |||||
| 480 | S | 25.9 | Very low | 31.2 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 47.1 | 149 | 149.1 | 52.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 481 | L | 28.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | cis | -158.7 | 145.1 | -7 | -96.8 | 156.7 | 0 | 0 | 0 | 105.5 | ||||
| 482 | S | 26 | Very low | 32.9 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | 36.2 | 134.9 | 94.5 | -56 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 483 | T | 28.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 128 Ų | 128 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | cis | -160.9 | 179.8 | 13 | 0.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 484 | D | 26 | Very low | 33.5 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -50.8 | 162.9 | 174.8 | -50.8 | -93.8 | 0 | 0 | 0 | 116.2 | ||||
| 485 | T | 27.7 | Very low | 32.4 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | 167.1 | 134.4 | 116.7 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 486 | T | 33.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -107.3 | -179.9 | 166.3 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 487 | P | 43.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -132 | -170.2 | -4.8 | 32.8 | -9.8 | 0 | 0 | 0 | 114.1 | ||||
| 488 | C | 36.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 19.7 | 144.8 | 154.4 | -59.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 489 | P | 35.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -142.8 | -179 | 112.5 | 40.3 | -28.7 | 0 | 0 | 0 | 116 | |||||
| 490 | S | 29.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -135 | -169.1 | 168.5 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 491 | P | 50.1 | Low | 32.6 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | -110.9 | -175.5 | -79 | 40.7 | -29.6 | 0 | 0 | 0 | 112.5 | |||||
| 492 | P | 35.3 | Very low | 32.8 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -114.1 | 172.2 | 166.4 | 37.7 | -27.5 | 0 | 0 | 0 | 114.6 | ||||
| 493 | V | 33.4 | Very low | 33 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | trans | -140.1 | 132 | -158.5 | 166.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 494 | H | 30.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | 66.4 | 155 | 168.6 | -68.9 | -156.6 | 0 | 0 | 0 | 115.6 | ||||
| 495 | V | 29 | Very low | 33.8 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | cis | -145.2 | 159.9 | 42.5 | 165.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 496 | T | 30.9 | Very low | 34 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -33.1 | 136.9 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 497 | A | 27.7 | Very low | 34 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -167.1 | 163.6 | 132.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 498 | A | 29.7 | Very low | 33.5 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -155.2 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 499 | P | 43.2 | Very low | 33.3 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | cis | -128.6 | 154.2 | -45.6 | 35.7 | -22.1 | 0 | 0 | 0 | 112.9 | ||||
| 500 | V | 31.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 92% | 0.915 | 83% | 0.827 | S | S | * | * | trans | -139.5 | 142.2 | 169.6 | -178 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 501 | N | 29.2 | Very low | 33.5 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -84 | 142.1 | 178.3 | -75 | -65.6 | 0 | 0 | 0 | 113.2 | ||||
| 502 | T | 33.3 | Very low | 32.5 | Very low | 147 Ų | 147 | 149 Ų | 149 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -147.3 | 151.4 | 138 | 32.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 503 | K | 30.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | trans | -118 | 151.7 | 173.3 | -64.1 | 175.6 | 177.9 | 174.4 | 0 | 109.1 | ||||
| 504 | L | 33.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | trans | -151.4 | 169.2 | 151.6 | -98 | 168.6 | 0 | 0 | 0 | 107.7 | ||||
| 505 | P | 37 | Very low | 32.7 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 75% | 0.747 | 84% | 0.843 | S | S | * | * | -108.9 | 155.3 | -125.6 | 39.4 | -34.6 | 0 | 0 | 0 | 115.6 | |||||
| 506 | G | 31.6 | Very low | 32.7 | Very low | 77 Ų | 77 | 155.2 Ų | 155.2 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -97.2 | 134.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 507 | I | 34.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 154 Ų | 154 | 91% | 0.908 | 84% | 0.843 | S | S | * | * | trans | -82.4 | 136.7 | 174 | -63 | 170.4 | 0 | 0 | 0 | 109.3 | ||||
| 508 | R | 32.5 | Very low | 32.8 | Very low | 226 Ų | 226 | 157.6 Ų | 157.6 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -140.5 | 110 | 179.9 | -175.6 | 179.4 | -176.5 | -177.2 | 4.3 | 112 | ||||
| 509 | A | 31.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 158 Ų | 158 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | trans | -71.7 | 160.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 510 | R | 36.6 | Very low | 33 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -127.8 | 151.5 | 178.5 | -62.6 | 178.2 | 178.4 | 179.9 | -1.2 | 109.7 | ||||
| 511 | K | 32.3 | Very low | 32.9 | Very low | 215 Ų | 215 | 159.2 Ų | 159.2 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -117.6 | 140.6 | 162.8 | -166.8 | 167.7 | -176.4 | 173.5 | 0 | 109 | ||||
| 512 | L | 29.2 | Very low | 32.8 | Very low | 156 Ų | 156 | 159 Ų | 159 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | trans | -90.4 | 157.3 | -169.5 | -70 | 162.2 | 0 | 0 | 0 | 113 | ||||
| 513 | R | 31.3 | Very low | 32.5 | Very low | 250 Ų | 250 | 156.4 Ų | 156.4 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -138.3 | 141.8 | 155.5 | -92 | -176.3 | 168.4 | 157.4 | -3.1 | 107.8 | ||||
| 514 | L | 29.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -111.1 | 156.5 | 173.5 | -86.4 | 144.9 | 0 | 0 | 0 | 110.2 | ||||
| 515 | P | 42.1 | Very low | 32.3 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -117 | -154.4 | -167.6 | 43.7 | -31.3 | 0 | 0 | 0 | 113.1 | ||||
| 516 | L | 30.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 94.5 | 141.9 | 179.8 | -57.4 | 156.1 | 0 | 0 | 0 | 114 | ||||
| 517 | S | 28.7 | Very low | 31.8 | Very low | 107 Ų | 107 | 161.4 Ų | 161.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -163.1 | 152.7 | -15.6 | 43 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 518 | H | 31.8 | Very low | 31.6 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -82 | 177.5 | 165.9 | -100 | -49.2 | 0 | 0 | 0 | 111 | ||||
| 519 | P | 45.6 | Very low | 32 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -138.2 | -143.8 | 25.4 | 36.2 | -9.8 | 0 | 0 | 0 | 113.3 | ||||
| 520 | E | 30.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 157 Ų | 157 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | cis | -160.7 | 174.7 | -1.4 | -141.8 | -172.2 | 134.3 | 0 | 0 | 112.9 | ||||
| 521 | Q | 30.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 152 Ų | 152 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 129.1 | 148.4 | -76.8 | -177.3 | 31.3 | 0 | 0 | 127.1 | ||||
| 522 | L | 26.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 80.2 | 107.3 | 140.7 | -96.5 | 83.2 | 0 | 0 | 0 | 125.2 | ||||
| 523 | S | 27.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 94.6 | 88.2 | 111.2 | -173.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 524 | R | 30.3 | Very low | 31.4 | Very low | 217 Ų | 217 | 140 Ų | 140 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | 85.2 | 148.3 | 110.9 | -154.8 | -169.4 | -174.2 | 170 | 4.4 | 121.2 | |||||
| 525 | K | 28.4 | Very low | 31.5 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 87.7 | 144.6 | 164.8 | -59.6 | -172.4 | 148.9 | -102.5 | 0 | 117.1 | ||||
| 526 | D | 28.3 | Very low | 31 | Very low | 111 Ų | 111 | 136 Ų | 136 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | cis | -162.8 | 177.6 | -16.3 | -97.6 | -22.2 | 0 | 0 | 0 | 109.5 | ||||
| 527 | L | 30.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | 82.5 | 167.3 | 170.8 | -76.8 | 109.9 | 0 | 0 | 0 | 119.5 | ||||
| 528 | A | 30.4 | Very low | 31.3 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | -136.5 | 162 | -138.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 529 | P | 40.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 166.2 | -177.5 | 35.3 | -37.3 | 0 | 0 | 0 | 113.8 | ||||
| 530 | Q | 29.8 | Very low | 30.5 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -131.5 | 152 | 162.1 | -68.9 | -168 | 3.6 | 0 | 0 | 111.3 | ||||
| 531 | T | 31.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -125.5 | -170.6 | -173.4 | -16.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 532 | L | 30.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 85.3 | 146 | 177.1 | -53.2 | 170.8 | 0 | 0 | 0 | 114.4 | ||||
| 533 | S | 27.9 | Very low | 30.7 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | -158.8 | 164.8 | -17.7 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 534 | A | 30.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -93.1 | 160.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 535 | A | 30.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 179.2 | 143.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 536 | A | 31 | Very low | 31.1 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 62.9 | 154.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 537 | E | 33.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | -164.7 | 162.3 | -24.1 | -115.5 | -172.6 | 146 | 0 | 0 | 112.7 | ||||
| 538 | T | 31.4 | Very low | 31.3 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | trans | 58.3 | 126 | 149.8 | 54.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 539 | Q | 31.1 | Very low | 31.5 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | 66.3 | 160.3 | 139.2 | -59.9 | -179.7 | 21.3 | 0 | 0 | 118.3 | ||||
| 540 | L | 29.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | cis | -147.3 | 172.2 | 16 | -164.5 | 71 | 0 | 0 | 0 | 111.6 | ||||
| 541 | M | 30.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 152.7 | 176.1 | -59.7 | 178.5 | 175.8 | 0 | 0 | 115.1 | ||||
| 542 | S | 30.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -163.3 | 163.7 | 132.1 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 543 | K | 31.4 | Very low | 32 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 153.9 | -162.6 | -66.2 | 157.2 | 175.8 | 165.6 | 0 | 115 | ||||
| 544 | R | 30.2 | Very low | 32.4 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | 37.3 | 130.8 | 138.7 | -63.2 | 178.2 | 176.6 | 176.4 | -2.4 | 118.8 | ||||
| 545 | H | 30.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | -164.1 | 159.8 | 91.8 | -113.9 | -88.7 | 0 | 0 | 0 | 113.3 | |||||
| 546 | V | 34.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 132.1 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 547 | A | 30.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 153.7 Ų | 153.7 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -147.5 | 142.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 548 | R | 32.2 | Very low | 34.7 | Very low | 229 Ų | 229 | 155 Ų | 155 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82 | 142.7 | 173.5 | -69.6 | 172.3 | 169.2 | 166.7 | -6.9 | 110.1 | ||
| 549 | P | 35 | Very low | 34.8 | Very low | 129 Ų | 129 | 161.3 Ų | 161.3 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123 | 157.8 | 31.1 | -30.1 | 0 | 0 | 0 | 109.7 | ||
| 550 | T | 31.9 | Very low | 34.9 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 136.9 | 168 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 551 | Y | 33.7 | Very low | 35.6 | Very low | 235 Ų | 235 | 161.9 Ų | 161.9 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.7 | 174.8 | -89.1 | -107.4 | 0 | 0 | 0 | 112.7 | ||
| 552 | S | 31.9 | Very low | 35.7 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -146.7 | 154 | 149.3 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 553 | P | 44.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 162.5 Ų | 162.5 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 163.2 | -151.6 | 36 | -37.3 | 0 | 0 | 0 | 116.1 | ||
| 554 | H | 36.6 | Very low | 35.8 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.5 | 168.9 | -71.3 | -97.1 | 0 | 0 | 0 | 112.5 | ||
| 555 | P | 46 | Very low | 36.4 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 150.6 | 169.4 | 33.8 | -34.4 | 0 | 0 | 0 | 112.2 | ||
| 556 | P | 47.2 | Very low | 36.5 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 150.1 | -179.2 | 32.7 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 557 | P | 47.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 153.8 | 171.6 | 31.1 | -34.6 | 0 | 0 | 0 | 112.2 | ||
| 558 | K | 33.4 | Very low | 36.5 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137.6 | -174.8 | -62.1 | 175.4 | -178.1 | 175.3 | 0 | 111.9 | ||
| 559 | R | 33.3 | Very low | 36.6 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 139.6 | 163.6 | -66.6 | 179 | 174.1 | -178.3 | -2.4 | 110.3 | ||
| 560 | Y | 33.5 | Very low | 36.5 | Very low | 220 Ų | 220 | 157.3 Ų | 157.3 | 86% | 0.863 | 83% | 0.828 | S | S | * | * | trans | -159.6 | 161.8 | 154 | -90 | -49.8 | 0 | 0 | 0 | 108.8 | ||||
| 561 | P | 43.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | -114.2 | -178.9 | -110.2 | 41.6 | -37.6 | 0 | 0 | 0 | 115.9 | |||||
| 562 | C | 32.7 | Very low | 36.4 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 86% | 0.858 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 145.3 | 174 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 563 | E | 31.9 | Very low | 36.4 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -121.5 | 155.7 | 159.5 | -72.9 | -162.1 | 139.8 | 0 | 0 | 111 | ||||
| 564 | G | 32.8 | Very low | 36.1 | Very low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | -91.2 | -179 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 565 | P | 42.5 | Very low | 36.3 | Very low | 130 Ų | 130 | 157.1 Ų | 157.1 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | trans | -82 | 147.4 | -165.7 | 32.3 | -36.2 | 0 | 0 | 0 | 114.4 | ||||
| 566 | V | 32.1 | Very low | 36.1 | Very low | 143 Ų | 143 | 159.6 Ų | 159.6 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -109.7 | 128.2 | 165.7 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 567 | I | 35.2 | Very low | 35.6 | Very low | 155 Ų | 155 | 162.6 Ų | 162.6 | 80% | 0.795 | 84% | 0.843 | S | S | * | * | trans | -85.9 | 133.4 | 178.1 | -62.2 | 165.7 | 0 | 0 | 0 | 109.5 | ||||
| 568 | S | 30.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 167.1 Ų | 167.1 | 81% | 0.811 | 85% | 0.85 | S | S | * | * | trans | -141 | 149.9 | 159 | -169 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 569 | R | 34.2 | Very low | 35.6 | Very low | 219 Ų | 219 | 161.2 Ų | 161.2 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | -112.9 | 117 | -173 | -65.1 | 174.9 | 177.1 | 171.8 | -2.8 | 111.4 | ||||
| 570 | Y | 32.3 | Very low | 35.9 | Very low | 239 Ų | 239 | 158 Ų | 158 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | trans | -154.5 | 145.9 | 144.4 | -84.8 | -79.1 | 0 | 0 | 0 | 106.5 | ||||
| 571 | G | 30.4 | Very low | 36.2 | Very low | 63 Ų | 63 | 155.2 Ų | 155.2 | 65% | 0.649 | 84% | 0.843 | S | S | * | * | cis | 147 | 80.4 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 572 | N | 34.2 | Very low | 35.8 | Very low | 157 Ų | 157 | 159.7 Ų | 159.7 | 84% | 0.84 | 85% | 0.851 | S | S | * | * | trans | 43.8 | 112.9 | 173.6 | -66.3 | -7.6 | 0 | 0 | 0 | 118.4 | ||||
| 573 | N | 32.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 161.2 Ų | 161.2 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | -158.1 | 134.5 | 120 | -94.9 | -27 | 0 | 0 | 0 | 110.4 | |||||
| 574 | K | 36.8 | Very low | 36.6 | Very low | 199 Ų | 199 | 159.8 Ų | 159.8 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -118.7 | 164.3 | 168.4 | -80.1 | -170.7 | 175.2 | -174.5 | 0 | 108.1 | ||||
| 575 | Q | 40.8 | Very low | 36.9 | Very low | 190 Ų | 190 | 164.5 Ų | 164.5 | 89% | 0.888 | 85% | 0.854 | S | S | * | * | trans | 80.5 | 158.1 | -176.1 | -52.7 | -175.7 | -11.9 | 0 | 0 | 114.9 | ||||
| 576 | L | 41.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 168.3 Ų | 168.3 | 89% | 0.885 | 86% | 0.858 | S | S | * | * | trans | 63.6 | 60.5 | 177.9 | -62.8 | 171.2 | 0 | 0 | 0 | 117.4 | ||||
| 577 | L | 36.7 | Very low | 37.2 | Very low | 177 Ų | 177 | 171.3 Ų | 171.3 | 93% | 0.927 | 88% | 0.883 | S | S | * | * | trans | -155.5 | 40.2 | 138.9 | -140.8 | 75.1 | 0 | 0 | 0 | 114.7 | ||||
| 578 | F | 38 | Very low | 37.3 | Very low | 226 Ų | 226 | 172.2 Ų | 172.2 | 99% | 0.991 | 89% | 0.888 | S | S | * | * | trans | -102.7 | 122.4 | 163.4 | -101.4 | -90.3 | 0 | 0 | 0 | 108.6 | ||||
| 579 | G | 42.9 | Very low | 37.7 | Very low | 74 Ų | 74 | 175.1 Ų | 175.1 | 76% | 0.763 | 89% | 0.892 | S | S | * | * | S | Bend | trans | 119.2 | 54.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 580 | L | 40.3 | Very low | 37.9 | Very low | 166 Ų | 166 | 172.7 Ų | 172.7 | 87% | 0.869 | 90% | 0.895 | S | S | * | * | S | Bend | trans | -158.9 | 29.6 | 159.5 | -117.3 | 166.2 | 0 | 0 | 0 | 116.1 | ||
| 581 | I | 38.8 | Very low | 38.2 | Very low | 162 Ų | 162 | 168.8 Ų | 168.8 | 83% | 0.831 | 89% | 0.893 | S | S | * | * | S | Bend | trans | -137.3 | 90.3 | 156.4 | -63 | 91.2 | 0 | 0 | 0 | 107.3 | ||
| 582 | F | 36.1 | Very low | 38.7 | Very low | 211 Ų | 211 | 175.4 Ų | 175.4 | 93% | 0.925 | 91% | 0.908 | S | S | * | * | trans | -163.3 | 37.4 | 163.8 | -124.7 | -72.6 | 0 | 0 | 0 | 113.4 | ||||
| 583 | I | 41.9 | Very low | 39 | Very low | 159 Ų | 159 | 176.6 Ų | 176.6 | 82% | 0.815 | 91% | 0.913 | S | S | * | * | trans | -131.8 | 147.6 | 167.9 | -58.9 | -179.8 | 0 | 0 | 0 | 106.6 | ||||
| 584 | I | 40.1 | Very low | 39.5 | Very low | 165 Ų | 165 | 177.1 Ų | 177.1 | 85% | 0.846 | 91% | 0.913 | S | S | * | * | S | Bend | trans | 84.8 | 61.2 | -165.5 | -46.5 | 164.5 | 0 | 0 | 0 | 112.6 | ||
| 585 | L | 37.4 | Very low | 39.7 | Very low | 164 Ų | 164 | 175.4 Ų | 175.4 | 86% | 0.859 | 92% | 0.917 | S | S | * | * | trans | -164.2 | 55 | 151.2 | -117.6 | 168.6 | 0 | 0 | 0 | 112 | ||||
| 586 | F | 40.4 | Very low | 39.6 | Very low | 211 Ų | 211 | 174.2 Ų | 174.2 | 93% | 0.925 | 92% | 0.919 | S | S | * | * | trans | -158.4 | 110.8 | 161.4 | -106 | -68.8 | 0 | 0 | 0 | 110.8 | ||||
| 587 | C | 41.5 | Very low | 39.5 | Very low | 206 Ų | 206 | 174.6 Ų | 174.6 | 100% | 1.392 | 92% | 0.922 | S | S | * | * | trans | -147.6 | 0 | 161.2 | -81.8 | 0 | 0 | 0 | 0 | 106.5 |
Retrieved 587 of 587 residues in 677 ms
(Link to these results)