| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 38 | Very low | 240 Ų | 240 | 136 Ų | 136 | 100% | 1.182 | 82% | 0.821 | S | S | * | * | 0 | 94.5 | 0 | -61.4 | 174.6 | -176.6 | 0 | 0 | 105.4 | |||||
| 2 | A | 35.7 | Very low | 37.6 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 62.6 | 130.8 | 108.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3 | L | 38.3 | Very low | 37.4 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -173.2 | 151.9 | 5.7 | -96.9 | 165.6 | 0 | 0 | 0 | 105.5 | ||||
| 4 | S | 39.7 | Very low | 37 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 66.2 | 143 | 150.7 | -47.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 5 | G | 36.8 | Very low | 36.6 | Very low | 62 Ų | 62 | 132.5 Ų | 132.5 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | 141.8 | 103.6 | 14.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | T | 39.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 52.7 | 130.7 | 144.9 | 45.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 7 | L | 35.5 | Very low | 35.9 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 98 | 117.4 | 137 | -70.4 | 158.7 | 0 | 0 | 0 | 121.4 | ||||
| 8 | L | 36.3 | Very low | 36.4 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | 5.9 | 166.6 | 138.6 | -63.5 | 174.1 | 0 | 0 | 0 | 120.1 | ||||
| 9 | P | 44 | Very low | 36 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -140.1 | -177.8 | 12.7 | 26.7 | -0.2 | 0 | 0 | 0 | 116.5 | ||||
| 10 | S | 36.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -46.6 | 142.7 | 171.6 | -47.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 11 | I | 38.2 | Very low | 35.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -115.4 | 121.8 | -172.6 | -44.6 | 170.1 | 0 | 0 | 0 | 110.4 | ||||
| 12 | S | 32.9 | Very low | 35.5 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 59.3 | 139.6 | 143 | 76.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 13 | T | 35.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | cis | -168.1 | 132 | 47.3 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 14 | F | 31.7 | Very low | 34.6 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | 32.6 | 115.9 | 148.4 | -82.1 | -109.7 | 0 | 0 | 0 | 121.3 | ||||
| 15 | A | 30.6 | Very low | 34.2 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | 87.4 | 99 | 66.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 16 | S | 31.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | 75.4 | 97.7 | 92.5 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 17 | G | 30.7 | Very low | 33 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 107 | 172.6 | 91.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 18 | P | 44.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | cis | -136.1 | -171.5 | -3 | 41.1 | -20.8 | 0 | 0 | 0 | 115.7 | ||||
| 19 | N | 28.1 | Very low | 32 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 154.5 | -171.9 | -172.9 | -16.3 | 0 | 0 | 0 | 115.2 | ||||
| 20 | V | 31.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | 154.3 | 132.7 | 123.2 | 172.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 21 | K | 39.3 | Very low | 30.9 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -40.1 | 148.4 | 173.2 | -57.3 | 160.5 | -178.8 | 174 | 0 | 115.4 | ||||
| 22 | N | 27.9 | Very low | 30.3 | Very low | 172 Ų | 172 | 147 Ų | 147 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -145.7 | 142.4 | 155.9 | -86.6 | -26.7 | 0 | 0 | 0 | 114.2 | ||||
| 23 | K | 30.1 | Very low | 30 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -93.5 | 154.8 | 178.1 | -80 | 172 | 171 | 175 | 0 | 111.8 | ||||
| 24 | S | 26.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 154 Ų | 154 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | 49.8 | 133.5 | 142.6 | 72.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 25 | M | 29.7 | Very low | 29.7 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 95% | 0.951 | 83% | 0.83 | S | S | * | * | trans | 59.5 | 129.7 | 140 | -79.7 | 160.3 | 71.7 | 0 | 0 | 120.2 | ||||
| 26 | G | 25.2 | Very low | 30 | Very low | 78 Ų | 78 | 156.7 Ų | 156.7 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 171.9 | 114.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 27 | H | 28 | Very low | 29.7 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -53.2 | 138.9 | 168.1 | -82.6 | -115.9 | 0 | 0 | 0 | 112.4 | ||||
| 28 | A | 26.7 | Very low | 29.8 | Very low | 99 Ų | 99 | 158.6 Ų | 158.6 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -107.7 | 103.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 29 | N | 24.3 | Very low | 29.1 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | trans | -105.1 | 111.3 | 163.1 | -173.3 | -7.7 | 0 | 0 | 0 | 105.1 | ||||
| 30 | L | 31 | Very low | 29.1 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | trans | -115.6 | 120.3 | 172.7 | -73.7 | 177.1 | 0 | 0 | 0 | 109.4 | ||||
| 31 | R | 25.3 | Very low | 29.5 | Very low | 227 Ų | 227 | 158.1 Ų | 158.1 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -85.1 | 141 | -175 | 176.1 | 136.1 | 65.5 | -179.6 | 2.9 | 110.5 | ||||
| 32 | W | 25.1 | Very low | 29.1 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 88% | 0.875 | 84% | 0.837 | S | S | * | * | trans | -29.5 | 143.7 | 169.9 | -60.6 | 84.5 | 0 | 0 | 0 | 117.7 | ||||
| 33 | K | 27.1 | Very low | 29 | Very low | 209 Ų | 209 | 159.3 Ų | 159.3 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -132.5 | 122.4 | 148.8 | -151.4 | 163.6 | 179.8 | 179 | 0 | 107.8 | ||||
| 34 | E | 33.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 158 Ų | 158 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | trans | -76.6 | 150.5 | -175 | -60.2 | 164.5 | 173.8 | 0 | 0 | 110.8 | ||||
| 35 | D | 28.1 | Very low | 29.2 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 94% | 0.941 | 84% | 0.835 | S | S | * | * | trans | -145.6 | 120 | 146.4 | -83.5 | -39.8 | 0 | 0 | 0 | 108.2 | ||||
| 36 | I | 35.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -97.8 | 127.8 | -179.5 | -64.7 | 171.3 | 0 | 0 | 0 | 108.7 | ||||
| 37 | S | 27.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 159.9 Ų | 159.9 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | 179 | 108.7 | 136.1 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | T | 31.9 | Very low | 31.4 | Very low | 139 Ų | 139 | 157.9 Ų | 157.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | -176.9 | 130.2 | 106.5 | -32.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 39 | G | 29.7 | Very low | 32.2 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 134.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 40 | M | 27.2 | Very low | 33.5 | Very low | 160 Ų | 160 | 155 Ų | 155 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -141.7 | 120.4 | 147 | -75.9 | -163.1 | 164.7 | 0 | 0 | 107.9 | K42 | M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 3.46Å | ||
| 41 | T | 40.1 | Very low | 34.3 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -62.7 | 94.2 | 167.1 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 42 | K | 30.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 142 Ų | 142 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -133.1 | 125.3 | 166 | -84.3 | -178.9 | 178.6 | 170.8 | 0 | 107.8 | M40 E44 | M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 3.46Å; K42-E44 PolarHBondContact O-N 2.85Å | ||
| 43 | K | 27.6 | Very low | 36.8 | Very low | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | trans | -31 | 130.6 | 173.3 | -67.8 | 170.8 | 175.7 | 176.8 | 0 | 110.8 | ||||
| 44 | E | 25.1 | Very low | 37.9 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | trans | -33.7 | 125.8 | 165.6 | -72.9 | -90.5 | 116.7 | 0 | 0 | 109.4 | K42 E46 | K42-E44 PolarHBondContact O-N 2.85Å; E44-E46 PolarHBondContact O-N 3.29Å | ||
| 45 | P | 34.2 | Very low | 38.7 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | trans | -66.1 | 108.4 | -179.5 | 28 | -30.1 | 0 | 0 | 0 | 106.6 | D47 | P45-D47 PolarHBondContact O-N 3.27Š| ||
| 46 | E | 42.1 | Very low | 40.1 | Very low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | trans | -43 | 116.8 | 169.8 | -68.3 | -104.6 | 159.4 | 0 | 0 | 108.3 | E44 L48 | E44-E46 PolarHBondContact O-N 3.29Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.95Å | ||
| 47 | D | 42.3 | Very low | 41 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | trans | -40.9 | 96.9 | 169.3 | -79.7 | -29.7 | 0 | 0 | 0 | 109.5 | P45 D49 R392 | P45-D47 PolarHBondContact O-N 3.27Å; D47-D49 PolarHBondContact O-N 3.24Å; D47-R392 IonicContact OD2-NH2 2.85Å; D47-R392 PolarHBondContact OD2-NH2 3.25Å | ||
| 48 | L | 45.4 | Very low | 42.3 | Very low | 158 Ų | 158 | 116.5 Ų | 116.5 | 83% | 0.827 | 61% | 0.609 | S | S | * | * | trans | -66.8 | 72.9 | 160.4 | -87.6 | 161.6 | 0 | 0 | 0 | 106.7 | E46 | E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.95Å | ||
| 49 | D | 43.7 | Very low | 43.3 | Very low | 33 Ų | 33 | 113.3 Ų | 113.3 | 18% | 0.176 | 59% | 0.587 | C | S | . | * | trans | -55.7 | 138 | -179.1 | -88.3 | -27.4 | 0 | 0 | 0 | 108.2 | D47 L51 D52 R378 R392 | D47-D49 PolarHBondContact O-N 3.24Å; D49-L51 HydrophobicContact CB-CB 4.4Å; D49-L51 HydrophobicContact CB-CD1 4Å; D49-L51 HydrophobicContact CB-CG 4.06Å; D49-L51 PolarHBondContact O-N 2.94Å; D49-D52 PolarHBondContact O-N 3.29Å; D49-R378 IonicContact OD2-NH1 3.01Å; D49-R378 PolarHBondContact OD2-NH1 3.03Å; D49-R392 IonicContact OD1-CZ 3.58Å; D49-R392 IonicContact OD1-NH1 2.61Å; D49-R392 PolarHBondContact OD1-NH1 3.48Å; D49-R392 IonicContact OD1-NH2 3.67Å; D49-R392 IonicContact OD2-CZ 3.75Å; D49-R392 IonicContact OD2-NH1 2.89Å; D49-R392 PolarHBondContact OD2-NH1 2.94Å | ||
| 50 | L | 50.8 | Low | 44.7 | Very low | 150 Ų | 150 | 112.4 Ų | 112.4 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.2 | -4.2 | 170.8 | -77.3 | 149.1 | 0 | 0 | 0 | 116.8 | ||
| 51 | L | 47.9 | Very low | 46.1 | Very low | 50 Ų | 50 | 108.7 Ų | 108.7 | 26% | 0.262 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -21.5 | -178.9 | -57.7 | 174.8 | 0 | 0 | 0 | 113.5 | D49 F380 H385 | D49-L51 HydrophobicContact CB-CB 4.4Å; D49-L51 HydrophobicContact CB-CD1 4Å; D49-L51 HydrophobicContact CB-CG 4.06Å; D49-L51 PolarHBondContact O-N 2.94Å; L51-F380 HydrophobicContact CD1-CD1 4.44Å; L51-F380 HydrophobicContact CD1-CE1 3.57Å; L51-F380 HydrophobicContact CD1-CZ 4.36Å; L51-F380 HydrophobicContact CD2-CD1 3.77Å; L51-F380 HydrophobicContact CD2-CE1 3.57Å; L51-F380 HydrophobicContact CG-CE1 4.2Å; L51-H385 HydrophobicContact CD2-CB 4.33Å |
| 52 | D | 51.2 | Low | 47.1 | Very low | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -16 | 175.5 | -101.9 | -13.1 | 0 | 0 | 0 | 112.9 | D49 D54 F55 I56 | D49-D52 PolarHBondContact O-N 3.29Å; D52-D54 PolarHBondContact O-N 2.92Å; D52-F55 PolarHBondContact O-N 2.7Å; D52-F55 VanDerWaalsContact O-N 3.12Å; D52-I56 HydrophobicContact CB-CD1 3.61Å; D52-I56 HydrophobicContact CB-CG1 3.97Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 VanDerWaalsContact O-CG1 3.23Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.15Å |
| 53 | Y | 50.7 | Low | 48.6 | Very low | 154 Ų | 154 | 101 Ų | 101 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | -175.4 | -141.4 | -104.8 | 0 | 0 | 0 | 112.4 | F55 L57 | Y53-F55 VanDerWaalsContact C-N 3.33Å; Y53-F55 PolarHBondContact O-N 3.47Å; Y53-L57 HydrophobicContact CD1-CD1 3.23Å; Y53-L57 HydrophobicContact CD1-CD2 4.44Å; Y53-L57 HydrophobicContact CD1-CG 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.38Å; Y53-L57 HydrophobicContact CE1-CD2 4.03Å; Y53-L57 HydrophobicContact CE1-CG 3.83Å; Y53-L57 HydrophobicContact CG-CD1 4.2Å; Y53-L57 HydrophobicContact CG-CG 4.33Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 WeakPolarHBondContact O-CD1 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 3.02Å |
| 54 | D | 50.5 | Low | 50.4 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.7 | -27.2 | 177.4 | -90.1 | -24.1 | 0 | 0 | 0 | 113.6 | D52 S58 K364 R382 | D52-D54 PolarHBondContact O-N 2.92Å; D54-S58 PolarHBondContact O-OG 3.5Å; D54-K364 PolarHBondContact O-NZ 2.82Å; D54-R382 IonicContact OD2-NH1 3.75Å |
| 55 | F | 51.5 | Low | 52.2 | Low | 92 Ų | 92 | 92.2 Ų | 92.2 | 40% | 0.404 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -85.4 | -50.7 | 179.7 | 178.5 | -103.6 | 0 | 0 | 0 | 110.5 | D52 Y53 S58 N59 | D52-F55 PolarHBondContact O-N 2.7Å; D52-F55 VanDerWaalsContact O-N 3.12Å; Y53-F55 VanDerWaalsContact C-N 3.33Å; Y53-F55 PolarHBondContact O-N 3.47Å; F55-S58 PolarHBondContact O-N 2.82Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N59 VanDerWaalsContact CZ-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.36Å; F55-N59 PolarHBondContact O-N 2.78Å; F55-N59 VanDerWaalsContact O-N 3.1Å; F55-N59 PolarHBondContact O-ND2 3.24Å |
| 56 | I | 56.1 | Low | 53.3 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 175.7 | -63.3 | -177.9 | 0 | 0 | 0 | 110.6 | D52 S58 N59 T60 | D52-I56 HydrophobicContact CB-CD1 3.61Å; D52-I56 HydrophobicContact CB-CG1 3.97Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 VanDerWaalsContact O-CG1 3.23Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.15Å; I56-S58 PolarHBondContact O-N 3.18Å; I56-N59 PolarHBondContact O-N 3.24Å; I56-T60 HydrophobicContact CG2-CG2 3.88Å; I56-T60 WeakPolarHBondContact O-CB 3.36Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.32Å; I56-T60 PolarHBondContact O-N 3.43Å; I56-T60 PolarHBondContact O-OG1 3.03Å |
| 57 | L | 54.2 | Low | 54.3 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 38% | 0.382 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.3 | -35.5 | -179.7 | -76.6 | 175.6 | 0 | 0 | 0 | 112.9 | Y53 T60 M61 | Y53-L57 HydrophobicContact CD1-CD1 3.23Å; Y53-L57 HydrophobicContact CD1-CD2 4.44Å; Y53-L57 HydrophobicContact CD1-CG 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.38Å; Y53-L57 HydrophobicContact CE1-CD2 4.03Å; Y53-L57 HydrophobicContact CE1-CG 3.83Å; Y53-L57 HydrophobicContact CG-CD1 4.2Å; Y53-L57 HydrophobicContact CG-CG 4.33Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 WeakPolarHBondContact O-CD1 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 3.02Å; L57-T60 VanDerWaalsContact CA-OG1 3.26Å; L57-T60 WeakPolarHBondContact CA-OG1 3.32Å; L57-T60 PolarHBondContact O-OG1 3.44Å; L57-M61 VanDerWaalsContact O-CB 3.26Å; L57-M61 WeakPolarHBondContact O-CB 3.43Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.23Å |
| 58 | S | 55 | Low | 55.1 | Low | 25 Ų | 25 | 83.1 Ų | 83.1 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -75.5 | -39.6 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | D54 F55 I56 M61 L62 K364 | D54-S58 PolarHBondContact O-OG 3.5Å; F55-S58 PolarHBondContact O-N 2.82Å; I56-S58 PolarHBondContact O-N 3.18Å; S58-M61 PolarHBondContact O-N 3.45Å; S58-L62 WeakPolarHBondContact O-CB 3.47Å; S58-L62 PolarHBondContact O-N 3.03Å; S58-K364 PolarHBondContact OG-NZ 3.21Å |
| 59 | N | 52.8 | Low | 55.7 | Low | 73 Ų | 73 | 82.1 Ų | 82.1 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 174.7 | -73.4 | -26.9 | 0 | 0 | 0 | 111.8 | F55 I56 M61 L62 Q63 | F55-N59 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N59 VanDerWaalsContact CZ-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.36Å; F55-N59 PolarHBondContact O-N 2.78Å; F55-N59 VanDerWaalsContact O-N 3.1Å; F55-N59 PolarHBondContact O-ND2 3.24Å; I56-N59 PolarHBondContact O-N 3.24Å; N59-M61 VanDerWaalsContact C-N 3.35Å; N59-L62 PolarHBondContact O-N 3.3Å; N59-Q63 WeakPolarHBondContact O-CB 3.36Å; N59-Q63 PolarHBondContact O-N 3.11Å |
| 60 | T | 58.8 | Low | 56.2 | Low | 54 Ų | 54 | 84 Ų | 84 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | I56 L57 Q64 | I56-T60 HydrophobicContact CG2-CG2 3.88Å; I56-T60 WeakPolarHBondContact O-CB 3.36Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.32Å; I56-T60 PolarHBondContact O-N 3.43Å; I56-T60 PolarHBondContact O-OG1 3.03Å; L57-T60 VanDerWaalsContact CA-OG1 3.26Å; L57-T60 WeakPolarHBondContact CA-OG1 3.32Å; L57-T60 PolarHBondContact O-OG1 3.44Å; T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 WeakPolarHBondContact O-CG 3Å; T60-Q64 PolarHBondContact O-N 3.11Å |
| 61 | M | 57.1 | Low | 56.4 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 41% | 0.409 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 175.2 | -72.9 | -65.9 | -60.1 | 0 | 0 | 112.1 | L57 S58 N59 Q64 Q65 | L57-M61 VanDerWaalsContact O-CB 3.26Å; L57-M61 WeakPolarHBondContact O-CB 3.43Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.23Å; S58-M61 PolarHBondContact O-N 3.45Å; N59-M61 VanDerWaalsContact C-N 3.35Å; M61-Q64 PolarHBondContact O-N 2.84Å; M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 WeakPolarHBondContact O-CG 3.41Å; M61-Q65 PolarHBondContact O-N 3.01Å |
| 62 | L | 62 | Low | 56.7 | Low | 53 Ų | 53 | 83.1 Ų | 83.1 | 28% | 0.277 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 174.2 | -165.5 | 69.1 | 0 | 0 | 0 | 111.1 | S58 N59 Q65 A66 G347 | S58-L62 WeakPolarHBondContact O-CB 3.47Å; S58-L62 PolarHBondContact O-N 3.03Å; N59-L62 PolarHBondContact O-N 3.3Å; L62-Q65 PolarHBondContact O-N 2.74Å; L62-A66 PolarHBondContact O-N 3.25Å; L62-G347 WeakPolarHBondContact CD1-O 3.36Å |
| 63 | Q | 61 | Low | 56.8 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 173.3 | -171.7 | 70.8 | 31 | 0 | 0 | 111.3 | N59 Q65 A66 E67 | N59-Q63 WeakPolarHBondContact O-CB 3.36Å; N59-Q63 PolarHBondContact O-N 3.11Å; Q63-Q65 PolarHBondContact O-N 3.2Å; Q63-A66 PolarHBondContact O-N 3.19Å; Q63-E67 VanDerWaalsContact CG-OE1 3.29Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.34Å; Q63-E67 PolarHBondContact NE2-OE1 3.1Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 VanDerWaalsContact O-CG 3.25Å; Q63-E67 WeakPolarHBondContact O-CG 3.3Å; Q63-E67 PolarHBondContact O-N 2.79Å |
| 64 | Q | 66 | Low | 56.2 | Low | 109 Ų | 109 | 80.3 Ų | 80.3 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.2 | -78 | 170.4 | 13 | 0 | 0 | 113.2 | T60 M61 A68 | T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 WeakPolarHBondContact O-CG 3Å; T60-Q64 PolarHBondContact O-N 3.11Å; M61-Q64 PolarHBondContact O-N 2.84Å; Q64-A68 VanDerWaalsContact O-CB 3.26Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 2.95Å |
| 65 | Q | 62.6 | Low | 55.7 | Low | 86 Ų | 86 | 85.1 Ų | 85.1 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 174 | -76.7 | 176.7 | 0.4 | 0 | 0 | 111.6 | M61 L62 Q63 A68 M69 | M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 WeakPolarHBondContact O-CG 3.41Å; M61-Q65 PolarHBondContact O-N 3.01Å; L62-Q65 PolarHBondContact O-N 2.74Å; Q63-Q65 PolarHBondContact O-N 3.2Å; Q65-A68 PolarHBondContact O-N 3.44Å; Q65-M69 HydrophobicContact CB-CE 4.32Å; Q65-M69 WeakPolarHBondContact O-CG 3.31Å; Q65-M69 PolarHBondContact O-N 3.41Å; Q65-M69 VanDerWaalsContact O-N 3.12Å |
| 66 | A | 57.7 | Low | 55.1 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L62 Q63 M69 A70 | L62-A66 PolarHBondContact O-N 3.25Å; Q63-A66 PolarHBondContact O-N 3.19Å; A66-M69 PolarHBondContact O-N 2.79Å; A66-A70 PolarHBondContact O-N 3Å |
| 67 | E | 63.9 | Low | 54 | Low | 101 Ų | 101 | 91.1 Ų | 91.1 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 176.4 | -74 | 169.6 | -174 | 0 | 0 | 112.6 | Q63 M69 A70 A71 | Q63-E67 VanDerWaalsContact CG-OE1 3.29Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.34Å; Q63-E67 PolarHBondContact NE2-OE1 3.1Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 VanDerWaalsContact O-CG 3.25Å; Q63-E67 WeakPolarHBondContact O-CG 3.3Å; Q63-E67 PolarHBondContact O-N 2.79Å; E67-M69 VanDerWaalsContact C-N 3.32Å; E67-M69 PolarHBondContact O-N 2.72Å; E67-A70 PolarHBondContact O-N 3.14Å; E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.3Å |
| 68 | A | 59.4 | Low | 53.3 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -35.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q64 Q65 S72 | Q64-A68 VanDerWaalsContact O-CB 3.26Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 2.95Å; Q65-A68 PolarHBondContact O-N 3.44Å; A68-S72 PolarHBondContact O-N 3.17Å |
| 69 | M | 56 | Low | 52.2 | Low | 136 Ų | 136 | 97.7 Ų | 97.7 | 67% | 0.67 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 172.1 | -66 | 178.3 | -140.6 | 0 | 0 | 111.2 | Q65 A66 E67 S72 | Q65-M69 HydrophobicContact CB-CE 4.32Å; Q65-M69 WeakPolarHBondContact O-CG 3.31Å; Q65-M69 PolarHBondContact O-N 3.41Å; Q65-M69 VanDerWaalsContact O-N 3.12Å; A66-M69 PolarHBondContact O-N 2.79Å; E67-M69 VanDerWaalsContact C-N 3.32Å; E67-M69 PolarHBondContact O-N 2.72Å; M69-S72 PolarHBondContact O-OG 2.92Å |
| 70 | A | 55.2 | Low | 51.2 | Low | 72 Ų | 72 | 99.9 Ų | 99.9 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.1 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A66 E67 S72 G73 | A66-A70 PolarHBondContact O-N 3Å; E67-A70 PolarHBondContact O-N 3.14Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.26Å; A70-G73 PolarHBondContact O-N 3.4Å; A70-G73 VanDerWaalsContact O-N 3.17Å |
| 71 | A | 55.1 | Low | 50.6 | Low | 77 Ų | 77 | 103.4 Ų | 103.4 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.9 | -23.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E67 G73 | E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.3Å; A71-G73 PolarHBondContact O-N 3.44Å |
| 72 | S | 54.7 | Low | 49.3 | Very low | 106 Ų | 106 | 103.2 Ų | 103.2 | 74% | 0.741 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -5.2 | 172.4 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | A68 M69 A70 | A68-S72 PolarHBondContact O-N 3.17Å; M69-S72 PolarHBondContact O-OG 2.92Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.26Å |
| 73 | G | 52 | Low | 47.7 | Very low | 58 Ų | 58 | 106.2 Ų | 106.2 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 26 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | A70 A71 | A70-G73 PolarHBondContact O-N 3.4Å; A70-G73 VanDerWaalsContact O-N 3.17Å; A71-G73 PolarHBondContact O-N 3.44Å |
| 74 | S | 39.2 | Very low | 46.1 | Very low | 109 Ų | 109 | 111 Ų | 111 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | trans | -156.5 | 111.9 | 171.5 | -86.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 75 | Q | 40.3 | Very low | 44.3 | Very low | 177 Ų | 177 | 109.8 Ų | 109.8 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | -121.4 | 122.4 | 152.1 | -65.6 | -153.1 | 4.8 | 0 | 0 | 109.5 | ||||
| 76 | N | 37.3 | Very low | 42.7 | Very low | 133 Ų | 133 | 109.6 Ų | 109.6 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | 66.7 | 135 | 157.2 | -66.7 | -59.1 | 0 | 0 | 0 | 116.6 | ||||
| 77 | L | 34.2 | Very low | 41.3 | Very low | 160 Ų | 160 | 116.7 Ų | 116.7 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | cis | -154.6 | 143.6 | 44.9 | -75 | 157 | 0 | 0 | 0 | 111.4 | ||||
| 78 | S | 38.4 | Very low | 39.6 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -73.7 | 159.6 | 154.9 | 33.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 79 | P | 32.9 | Very low | 38.1 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | -146 | 161.1 | 111.7 | 31.4 | -12 | 0 | 0 | 0 | 116.1 | |||||
| 80 | S | 30.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -76.5 | 175.5 | -178.6 | -100.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 81 | P | 47.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -99.8 | 161.7 | -148.4 | 39 | -34.9 | 0 | 0 | 0 | 115.7 | ||||
| 82 | G | 28.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -170.9 | 130.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 83 | S | 28.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -46.8 | 149 | -177.3 | 57 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 84 | Y | 27.1 | Very low | 33.1 | Very low | 211 Ų | 211 | 132.9 Ų | 132.9 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | 162.9 | 125 | 104 | -174.4 | -101.2 | 0 | 0 | 0 | 113.2 | |||||
| 85 | S | 29.6 | Very low | 32.8 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | trans | 20.4 | 141.7 | 147 | -139.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 86 | S | 27.9 | Very low | 32.3 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | 101.5 | 102.9 | 124.1 | 144.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 87 | Y | 29.1 | Very low | 32 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 132.4 | 130.6 | -59.8 | -63.4 | 0 | 0 | 0 | 124.3 | ||||
| 88 | Q | 27.2 | Very low | 31.9 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 104.8 | 108.5 | 135.3 | -125 | 71.9 | -5.9 | 0 | 0 | 120.9 | ||||
| 89 | L | 27.6 | Very low | 31.7 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -67.1 | 177.1 | 151.7 | -88.1 | 143.8 | 0 | 0 | 0 | 111.3 | ||||
| 90 | P | 38.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | cis | -142.3 | 163.5 | 14.6 | 36.3 | -14.4 | 0 | 0 | 0 | 118.7 | ||||
| 91 | S | 27.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 38.2 | 178.7 | 135.9 | -56.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 92 | P | 48.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | -131.3 | -160.3 | -64.9 | 40.6 | -22.8 | 0 | 0 | 0 | 110.7 | |||||
| 93 | Q | 28 | Very low | 31.3 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 121 | 141.1 | 166.6 | -69.3 | -178.4 | -13.7 | 0 | 0 | 111.6 | ||||
| 94 | D | 26.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | cis | -174.9 | 147.8 | -11.9 | -111 | -33.7 | 0 | 0 | 0 | 105.3 | ||||
| 95 | S | 32.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 63.2 | 150.9 | 144.2 | 68.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 96 | A | 30.4 | Very low | 32.3 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | 179.5 | 158.9 | 5.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 97 | H | 31.4 | Very low | 32.6 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 141.9 | 151.4 | -82.1 | -114.2 | 0 | 0 | 0 | 118.3 | ||||
| 98 | S | 32.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -170 | 153.8 | 8.8 | 40.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 99 | D | 33 | Very low | 33 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -50.1 | 157.8 | 171.1 | -56.8 | -65.4 | 0 | 0 | 0 | 115.5 | ||||
| 100 | M | 33.8 | Very low | 33.2 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | -171 | 131.6 | 126.6 | -97.3 | -66.4 | -99.1 | 0 | 0 | 112.5 | |||||
| 101 | L | 32.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -78 | 155.1 | 179.4 | -63.3 | 159.3 | 0 | 0 | 0 | 112.2 | ||||
| 102 | Y | 33.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 161.5 | 132.5 | 109.5 | -107.5 | -85.3 | 0 | 0 | 0 | 115.6 | |||||
| 103 | T | 31.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | 72.7 | 132.8 | 142.9 | 33.6 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 104 | I | 35.7 | Very low | 33.8 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | trans | -90.4 | 150.7 | 167.3 | -60.7 | 164.3 | 0 | 0 | 0 | 109.4 | ||||
| 105 | P | 38.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -105.9 | 145.9 | 157.9 | 35 | -24.7 | 0 | 0 | 0 | 113.1 | ||||
| 106 | D | 32.3 | Very low | 33.6 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -111.7 | 137.9 | 174.3 | -172.7 | 5.3 | 0 | 0 | 0 | 108.4 | ||||
| 107 | I | 34.4 | Very low | 33.6 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -146.6 | 124.9 | 164.3 | -46.3 | 175.9 | 0 | 0 | 0 | 109.8 | ||||
| 108 | S | 31.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 143.5 | 170.9 | 29.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 109 | D | 33.2 | Very low | 33.5 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -177.6 | 104.1 | 152.9 | -93.3 | -27.7 | 0 | 0 | 0 | 111.9 | ||||
| 110 | V | 33.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -144.8 | 122.2 | 156.9 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 111 | S | 30.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -153 | 159.1 | 158.2 | -91.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | P | 57 | Low | 33.8 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -117.8 | 165 | -141.2 | 40.1 | -29.2 | 0 | 0 | 0 | 115.1 | ||||
| 113 | S | 35.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 174.2 | 147.6 | 150.5 | 39.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 114 | G | 30.2 | Very low | 34.7 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 105.5 | 116.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 115 | G | 28.1 | Very low | 34.5 | Very low | 69 Ų | 69 | 142.1 Ų | 142.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | 95.4 | 89.3 | 10.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 116 | F | 27.5 | Very low | 34.2 | Very low | 218 Ų | 218 | 143.6 Ų | 143.6 | 96% | 0.956 | 82% | 0.82 | S | S | * | * | trans | -147.2 | 138 | 157.8 | -94.3 | -82.4 | 0 | 0 | 0 | 111.6 | ||||
| 117 | V | 30.1 | Very low | 35 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -121.6 | 170.5 | -178.6 | -114.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | A | 31.3 | Very low | 34.9 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | 91.5 | 140.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 119 | E | 29.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | cis | -164.1 | 167.1 | 11.4 | -160.9 | 65.8 | -173 | 0 | 0 | 109.7 | ||||
| 120 | L | 36.3 | Very low | 34.8 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | -56.9 | 156.7 | -174.7 | -62.9 | 139.5 | 0 | 0 | 0 | 118.4 | ||||
| 121 | M | 30.9 | Very low | 34.6 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | -153.6 | 121.6 | 124.3 | -90.4 | -137.2 | -162 | 0 | 0 | 111.7 | |||||
| 122 | R | 39.9 | Very low | 35.4 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -106.8 | 158.7 | 149.3 | -96.9 | -171.3 | 173.8 | 123.6 | -2 | 107.6 | ||||
| 123 | P | 44.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -128.8 | 149.3 | 127.5 | 15.5 | 4.4 | 0 | 0 | 0 | 113.1 | |||||
| 124 | E | 39.2 | Very low | 34 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 161 | 177.1 | -59 | -175.5 | 140.2 | 0 | 0 | 113.2 | ||||
| 125 | L | 31.8 | Very low | 34.2 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | trans | -163 | 139.6 | 135.4 | -99.8 | 153.3 | 0 | 0 | 0 | 110.1 | ||||
| 126 | D | 31.1 | Very low | 34.6 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -89.7 | 175.1 | -153.4 | -122.6 | 0.8 | 0 | 0 | 0 | 115.3 | ||||
| 127 | P | 49.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 153.9 | -156.9 | 39.5 | -37.7 | 0 | 0 | 0 | 114.5 | ||||
| 128 | A | 31.9 | Very low | 35 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -178 | 154.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 129 | Y | 31.1 | Very low | 34.7 | Very low | 206 Ų | 206 | 154.7 Ų | 154.7 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 110.7 | 97.7 | 162.9 | -71.6 | -89.3 | 0 | 0 | 0 | 119 | ||||
| 130 | L | 32.3 | Very low | 34.9 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 60.2 | 105.3 | 131.2 | -61.8 | 174.9 | 0 | 0 | 0 | 120.9 | ||||
| 131 | H | 29.2 | Very low | 34.5 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | 31.2 | 160.4 | 123.2 | -98.1 | -62 | 0 | 0 | 0 | 123.1 | |||||
| 132 | P | 46.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | -113.1 | 155.8 | -119.2 | 39.1 | -24.1 | 0 | 0 | 0 | 114 | |||||
| 133 | T | 30.5 | Very low | 34.2 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -170 | 126.4 | 141.9 | 37.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 134 | S | 32.4 | Very low | 33.7 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 31.4 | 111.5 | 141.4 | -153.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 135 | L | 33.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -159.9 | 126.8 | 141.2 | -104.6 | 148.1 | 0 | 0 | 0 | 111.4 | G137 | L135-G137 PolarHBondContact O-N 2.87Š| ||
| 136 | H | 36.6 | Very low | 33.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -43.7 | 120.3 | 175.3 | -80 | 105.4 | 0 | 0 | 0 | 113.4 | ||||
| 137 | G | 29.7 | Very low | 33.3 | Very low | 57 Ų | 57 | 144.8 Ų | 144.8 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -139.5 | 119.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L135 F139 | L135-G137 PolarHBondContact O-N 2.87Å; G137-F139 PolarHBondContact O-N 3.32Å | ||
| 138 | K | 36.5 | Very low | 32.6 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 111.9 | -179.7 | -64.1 | 162.6 | -179.4 | 170.7 | 0 | 110.2 | V140 | K138-V140 PolarHBondContact O-N 3.34Š| ||
| 139 | F | 25.5 | Very low | 32.8 | Very low | 188 Ų | 188 | 148 Ų | 148 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -77 | 107.8 | 165 | -81.4 | -89.5 | 0 | 0 | 0 | 109.4 | G137 V141 | G137-F139 PolarHBondContact O-N 3.32Å; F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 HydrophobicContact CB-CG2 4.15Å; F139-V141 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | V | 33.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 148 Ų | 148 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 92.1 | 153.1 | 174.3 | 0 | 0 | 0 | 0 | 105.9 | K138 K142 | K138-V140 PolarHBondContact O-N 3.34Å; V140-K142 PolarHBondContact O-N 3.01Å; V140-K142 VanDerWaalsContact O-N 3.1Å | ||
| 141 | V | 29.8 | Very low | 32.5 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 60% | 0.6 | 78% | 0.781 | S | S | * | * | trans | -73.3 | 99.2 | 167 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | F139 T143 | F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 HydrophobicContact CB-CG2 4.15Å; F139-V141 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact O-N 3.13Å; V141-T143 HydrophobicContact CG1-CG2 3.43Å; V141-T143 VanDerWaalsContact CG1-CG2 3.43Å; V141-T143 PolarHBondContact O-N 3.27Å; V141-T143 VanDerWaalsContact O-N 3.11Å | ||
| 142 | K | 34.8 | Very low | 32.7 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -79.6 | 75.1 | 163.8 | -154.5 | 175.8 | -172.6 | 179.3 | 0 | 106.9 | V140 T144 | V140-K142 PolarHBondContact O-N 3.01Å; V140-K142 VanDerWaalsContact O-N 3.1Å; K142-T144 PolarHBondContact O-N 3.37Å | ||
| 143 | T | 28.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | trans | -75.4 | 100.7 | 166.6 | 32.3 | 0 | 0 | 0 | 0 | 108 | V141 M145 | V141-T143 HydrophobicContact CG1-CG2 3.43Å; V141-T143 VanDerWaalsContact CG1-CG2 3.43Å; V141-T143 PolarHBondContact O-N 3.27Å; V141-T143 VanDerWaalsContact O-N 3.11Å; T143-M145 PolarHBondContact O-N 3.07Å; T143-M145 VanDerWaalsContact O-N 3.15Å | ||
| 144 | T | 34.8 | Very low | 31.7 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -55.4 | 104.6 | 146.6 | 45.4 | 0 | 0 | 0 | 0 | 107.1 | K142 D146 | K142-T144 PolarHBondContact O-N 3.37Å; T144-D146 PolarHBondContact O-N 3.12Å | ||
| 145 | M | 30.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -87.4 | 105.6 | 165 | -77.6 | -167.5 | 79.3 | 0 | 0 | 107.9 | T143 | T143-M145 PolarHBondContact O-N 3.07Å; T143-M145 VanDerWaalsContact O-N 3.15Å | ||
| 146 | D | 28.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -48.9 | 133.8 | 159.8 | -141 | -46.4 | 0 | 0 | 0 | 110.1 | T144 A148 | T144-D146 PolarHBondContact O-N 3.12Å; D146-A148 PolarHBondContact O-N 2.76Å | ||
| 147 | M | 34.1 | Very low | 30.7 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -100.4 | 71.6 | 175.6 | -77.4 | -82.2 | 152.6 | 0 | 0 | 108.2 | ||||
| 148 | A | 34.2 | Very low | 30.6 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | trans | -120.6 | 134.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | D146 | D146-A148 PolarHBondContact O-N 2.76Š| ||
| 149 | E | 36.1 | Very low | 30.3 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | 75.1 | 87.3 | 168.7 | -58.1 | -176.8 | 166.4 | 0 | 0 | 118 | ||||
| 150 | Y | 29.5 | Very low | 30.4 | Very low | 204 Ų | 204 | 141 Ų | 141 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -135.7 | 77 | 138.1 | -131 | -89.9 | 0 | 0 | 0 | 109.4 | Q152 | Y150-Q152 HydrophobicContact CE1-CG 4.25Š| ||
| 151 | G | 28.6 | Very low | 30.2 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 116.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 152 | Q | 32.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -118.3 | 95.7 | 157.6 | -96.4 | 179.2 | -13.6 | 0 | 0 | 108.7 | Y150 | Y150-Q152 HydrophobicContact CE1-CG 4.25Š| ||
| 153 | S | 28.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -1.3 | 117.7 | 149.8 | 56.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 154 | I | 29 | Very low | 29.8 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -103.7 | 118.2 | 141.4 | -62.1 | 179.4 | 0 | 0 | 0 | 105.7 | V156 | I154-V156 PolarHBondContact O-N 3.36Š| ||
| 155 | N | 27.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -57.5 | 118.6 | 176.6 | -79.1 | -30.2 | 0 | 0 | 0 | 110.2 | ||||
| 156 | V | 27.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -114.5 | 118.7 | 158.6 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | I154 S158 | I154-V156 PolarHBondContact O-N 3.36Å; V156-S158 PolarHBondContact O-N 3.2Å | ||
| 157 | I | 27 | Very low | 29.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -60.1 | 117.6 | 177.7 | -67 | 159.2 | 0 | 0 | 0 | 108.5 | ||||
| 158 | S | 27.7 | Very low | 29.4 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 121.4 | 170.9 | 31.5 | 0 | 0 | 0 | 0 | 110.4 | V156 | V156-S158 PolarHBondContact O-N 3.2Š| ||
| 159 | K | 28.3 | Very low | 29.3 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -115 | 121.2 | 153.2 | -98.5 | -176.1 | 175.4 | 177.9 | 0 | 107.1 | ||||
| 160 | A | 29.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -100.1 | 153.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 161 | G | 27.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 125.1 Ų | 125.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 125.2 | 129 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 162 | V | 29.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | cis | -157.8 | 162 | 8.7 | 171 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 163 | G | 26.7 | Very low | 29.9 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | -51.3 | 173.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 164 | V | 28.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -161.7 | 163 | 66.6 | -154 | 0 | 0 | 0 | 0 | 110 | |||||
| 165 | S | 29.3 | Very low | 30.6 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -41 | 146.7 | 178.2 | -15.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 166 | A | 28 | Very low | 30.6 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | 173.4 | 144.6 | 123 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 167 | A | 31.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 146.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 168 | T | 30.3 | Very low | 30.7 | Very low | 142 Ų | 142 | 128 Ų | 128 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -172 | 141.3 | 142.1 | 21.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 169 | D | 32 | Very low | 30.9 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -51.7 | 157 | 177.9 | -65.5 | -57.9 | 0 | 0 | 0 | 113.8 | ||||
| 170 | P | 34.3 | Very low | 31.2 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -151.4 | 145.8 | 98.9 | 34.6 | -15.1 | 0 | 0 | 0 | 116.7 | S172 | P170-S172 PolarHBondContact O-N 3.13Š| |||
| 171 | S | 37.7 | Very low | 31.3 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -52.2 | 110.5 | 148.5 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | S | 29.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 177.3 | 114.5 | 139.8 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | P170 | P170-S172 PolarHBondContact O-N 3.13Š| ||
| 173 | L | 37.9 | Very low | 31.7 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 163.4 | 164 | -90.5 | -175.9 | 0 | 0 | 0 | 108 | ||||
| 174 | P | 42.6 | Very low | 31.9 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | -162.1 | 170.3 | 58.1 | 48 | -25.9 | 0 | 0 | 0 | 123.2 | |||||
| 175 | F | 29 | Very low | 32.5 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | 80.1 | 81.6 | 153.2 | -64.1 | -60.7 | 0 | 0 | 0 | 119.8 | C177 | F175-C177 PolarHBondContact O-N 3.12Š| ||
| 176 | V | 28.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -55.7 | 122.2 | 147.4 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | H178 | V176-H178 PolarHBondContact O-N 3.37Š| ||
| 177 | C | 27.7 | Very low | 33 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -62.4 | 104 | 169.3 | -82.3 | 0 | 0 | 0 | 0 | 109.5 | F175 M179 | F175-C177 PolarHBondContact O-N 3.12Å; C177-M179 PolarHBondContact O-N 3.37Å | ||
| 178 | H | 29.4 | Very low | 33.2 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | -61.8 | 110.6 | 167.6 | -123.1 | -63.9 | 0 | 0 | 0 | 108.2 | V176 I180 | V176-H178 PolarHBondContact O-N 3.37Å; H178-I180 PolarHBondContact O-N 3.17Å | ||
| 179 | M | 31 | Very low | 33.4 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -57.4 | 122 | 164.3 | -68.3 | -165.6 | -64.1 | 0 | 0 | 107.4 | C177 K181 | C177-M179 PolarHBondContact O-N 3.37Å; M179-K181 PolarHBondContact O-N 3.48Å | ||
| 180 | I | 36.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 65% | 0.651 | 74% | 0.735 | S | S | * | * | trans | -67.3 | 87.2 | 173.1 | -59.3 | 173.5 | 0 | 0 | 0 | 107.1 | H178 Q182 | H178-I180 PolarHBondContact O-N 3.17Å; I180-Q182 HydrophobicContact CG2-CG 3.78Å; I180-Q182 PolarHBondContact O-N 3.41Å | ||
| 181 | K | 29.7 | Very low | 33.7 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | trans | -80.3 | 102.6 | 163.7 | -147.9 | 173.9 | -175.5 | -175.8 | 0 | 104.9 | M179 E183 | M179-K181 PolarHBondContact O-N 3.48Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.31Å | ||
| 182 | Q | 34.6 | Very low | 33.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | trans | -74.3 | 91.8 | 176.8 | -71.1 | -144.3 | -6.7 | 0 | 0 | 109.6 | I180 | I180-Q182 HydrophobicContact CG2-CG 3.78Å; I180-Q182 PolarHBondContact O-N 3.41Å | ||
| 183 | E | 30.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -109 | 127.6 | 149 | -72.8 | -171.7 | 150 | 0 | 0 | 107.6 | K181 | K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.31Å | ||
| 184 | N | 30.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 74.3 | 105.8 | -173.9 | -64.8 | -52.5 | 0 | 0 | 0 | 116.9 | S186 | N184-S186 PolarHBondContact O-N 3.02Å; N184-S186 VanDerWaalsContact O-N 3.08Å |
| 185 | P | 42.5 | Very low | 32.6 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | trans | -66.8 | 109.2 | 159.9 | 28.2 | -28 | 0 | 0 | 0 | 107.3 | M187 | P185-M187 PolarHBondContact O-N 3.2Š| ||
| 186 | S | 35.9 | Very low | 32.7 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -61 | 87.7 | 160.6 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | N184 C188 | N184-S186 PolarHBondContact O-N 3.02Å; N184-S186 VanDerWaalsContact O-N 3.08Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.1Å | ||
| 187 | M | 30.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 99.4 | 165.9 | -70.2 | -78.8 | -154.4 | 0 | 0 | 106.5 | P185 N189 | P185-M187 PolarHBondContact O-N 3.2Å; M187-N189 PolarHBondContact O-N 3.14Å; M187-N189 VanDerWaalsContact O-N 3.12Å | ||
| 188 | C | 35.6 | Very low | 33.1 | Very low | 71 Ų | 71 | 144.6 Ų | 144.6 | 48% | 0.48 | 75% | 0.752 | S | S | . | * | trans | -60.2 | 117.2 | 158.1 | -68.1 | 0 | 0 | 0 | 0 | 106.2 | S186 I190 C342 | S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.1Å; C188-I190 PolarHBondContact O-N 3.29Å; C188-C342 VanDerWaalsContact SG-SG 3.62Å | ||
| 189 | N | 35.6 | Very low | 33 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -47.2 | 108.3 | -177.8 | -79.5 | -28.2 | 0 | 0 | 0 | 110.6 | M187 T191 | M187-N189 PolarHBondContact O-N 3.14Å; M187-N189 VanDerWaalsContact O-N 3.12Å; N189-T191 PolarHBondContact O-N 3.18Å | ||
| 190 | I | 37.7 | Very low | 32.9 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 51% | 0.508 | 75% | 0.746 | S | S | . | * | trans | -78.5 | 102.2 | 165.8 | -63.5 | 170.5 | 0 | 0 | 0 | 104.6 | C188 Q192 E338 | C188-I190 PolarHBondContact O-N 3.29Å; I190-Q192 HydrophobicContact CG2-CG 3.85Å; I190-Q192 PolarHBondContact O-N 3.47Å; I190-E338 HydrophobicContact CD1-CG 4.29Å | ||
| 191 | T | 33.6 | Very low | 32.7 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -66.6 | 99.8 | 166.3 | -36.4 | 0 | 0 | 0 | 0 | 107.2 | N189 | N189-T191 PolarHBondContact O-N 3.18Š| ||
| 192 | Q | 32.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 134 Ų | 134 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -82.4 | 143.9 | 169.6 | -69.9 | -163.4 | -9.4 | 0 | 0 | 110 | I190 | I190-Q192 HydrophobicContact CG2-CG 3.85Å; I190-Q192 PolarHBondContact O-N 3.47Å | ||
| 193 | P | 33.7 | Very low | 32.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -84.8 | 126.2 | 172.7 | 32.4 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 194 | M | 32.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 55 | 122.5 | 148.4 | -32.6 | -53 | 179.5 | 0 | 0 | 121.1 | ||||
| 195 | D | 26.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -118.5 | 108.1 | 147 | -98.4 | -47.1 | 0 | 0 | 0 | 109.1 | ||||
| 196 | L | 31.9 | Very low | 31.8 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 119.7 | 171.4 | -109.3 | 146.7 | 0 | 0 | 0 | 108.2 | ||
| 197 | H | 32.2 | Very low | 32.1 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.6 | 176.1 | -87.5 | 64.6 | 0 | 0 | 0 | 111.7 | ||
| 198 | L | 33.3 | Very low | 32.2 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 96% | 0.958 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.3 | 166.7 | -71.5 | 164.5 | 0 | 0 | 0 | 111.1 | ||
| 199 | G | 27.3 | Very low | 31.9 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -153.3 | 103.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 200 | G | 28.5 | Very low | 31.6 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -82.8 | 163 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 201 | V | 30.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 141 Ų | 141 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | -177.7 | 137 | 115.7 | -86.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 202 | N | 28 | Very low | 31.3 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 58.8 | 110.6 | 145.9 | -89.6 | -11 | 0 | 0 | 0 | 124 | ||||
| 203 | S | 28.7 | Very low | 31.8 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | 100.1 | 137.4 | 108.4 | 69.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 204 | H | 30.8 | Very low | 31.6 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 90.7 | 117.2 | 154.7 | -85 | -76.9 | 0 | 0 | 0 | 122.4 | ||||
| 205 | S | 29.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 71.4 | 109.7 | 139 | 51.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 206 | Q | 34.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -59.8 | 160.4 | 137.7 | -78.2 | -95.2 | -33.7 | 0 | 0 | 110.1 | ||||
| 207 | P | 41.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | cis | -156 | 174 | 44.5 | 41.2 | -18.4 | 0 | 0 | 0 | 120 | ||||
| 208 | R | 31.9 | Very low | 32.6 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | 81.6 | 136.7 | 137.1 | -90.6 | 175.7 | -167.5 | -104.8 | 1.6 | 124.1 | ||||
| 209 | T | 30.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 104 | 145.2 | 53.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 210 | G | 28.9 | Very low | 32.4 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | 60.4 | 116 | 111.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 211 | Q | 31.5 | Very low | 32.5 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | -176.9 | 146 | 119.5 | -98.7 | 176.1 | 41.4 | 0 | 0 | 111 | |||||
| 212 | R | 32.7 | Very low | 32.8 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -120.6 | 138.6 | 171.2 | -150.1 | -175.8 | -175.4 | -127.6 | 0.5 | 105.8 | ||||
| 213 | P | 42.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | -145.2 | 137.7 | 114.7 | 30.6 | -11.6 | 0 | 0 | 0 | 111.9 | |||||
| 214 | H | 30.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 98.7 | 111.2 | 76.8 | -170.6 | -86 | 0 | 0 | 0 | 113.7 | |||||
| 215 | L | 31.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 63% | 0.634 | 78% | 0.779 | S | S | * | * | trans | 42.9 | 145.1 | 150.5 | -51 | -174.6 | 0 | 0 | 0 | 120.1 | ||||
| 216 | D | 29.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -167.8 | -163.4 | -2.2 | -101.1 | -28.5 | 0 | 0 | 0 | 105.8 | ||||
| 217 | P | 50.8 | Low | 32.7 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | -107.1 | 179.1 | -108.7 | 25.3 | 0.8 | 0 | 0 | 0 | 112.7 | |||||
| 218 | H | 32.8 | Very low | 32.2 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 163.8 | 121.8 | 141.1 | -86.1 | -64.4 | 0 | 0 | 0 | 111.1 | ||||
| 219 | G | 27.6 | Very low | 32.1 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | 66.5 | 130.5 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 220 | F | 28.3 | Very low | 32.2 | Very low | 216 Ų | 216 | 132.3 Ų | 132.3 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | 104 | 136.1 | 148.4 | -74.2 | -86.7 | 0 | 0 | 0 | 120.7 | ||||
| 221 | S | 30.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 162 | -169.2 | -64.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 222 | P | 36.2 | Very low | 32.3 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 133.2 | 177.6 | 29.5 | -33.2 | 0 | 0 | 0 | 112.2 | ||
| 223 | G | 28.8 | Very low | 32.1 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 147.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 224 | G | 26.6 | Very low | 31.4 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 162.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 225 | C | 28.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 142.5 | 167.6 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 226 | P | 35.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 139.5 | -176 | 33.5 | -32.8 | 0 | 0 | 0 | 112 | ||
| 227 | M | 30.2 | Very low | 31.1 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 124.8 | 162.5 | -73.4 | -68.4 | 177.8 | 0 | 0 | 108.9 | ||
| 228 | T | 32.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.4 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 229 | A | 28.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 148.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 230 | S | 32.2 | Very low | 30.7 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -154.3 | 120.3 | 143.3 | -76.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 231 | R | 31 | Very low | 31 | Very low | 239 Ų | 239 | 127.1 Ų | 127.1 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 150.6 | -178.4 | -70.6 | 164.8 | 131.9 | -168.2 | -3.2 | 111.2 | ||||
| 232 | S | 31 | Very low | 31.4 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 163.7 | 149.1 | 135.3 | 38 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 233 | A | 28.3 | Very low | 31 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -171 | 150.3 | -19.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 234 | S | 29.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 70.4 | 144.5 | 157.6 | -43.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 235 | S | 28.2 | Very low | 31.3 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | cis | 175.8 | 151.2 | -2.5 | 46 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 236 | L | 29.3 | Very low | 31.2 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 103.4 | 158.3 | -57.8 | 158.9 | 0 | 0 | 0 | 118.6 | ||||
| 237 | S | 26.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -69.2 | 178.3 | 142.9 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | P | 44.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -153.5 | 177.3 | 19.3 | 47.1 | -25.9 | 0 | 0 | 0 | 119.5 | ||||
| 239 | D | 28.1 | Very low | 31 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 93.8 | 134.8 | 132.4 | -75.6 | -28.9 | 0 | 0 | 0 | 125 | ||||
| 240 | H | 30.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 96.4 | 98.3 | 140.1 | -80.8 | -56.8 | 0 | 0 | 0 | 122.5 | ||||
| 241 | H | 34.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 156.2 | 135.3 | -112.6 | -77.9 | 0 | 0 | 0 | 111.6 | ||||
| 242 | P | 38.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -145.8 | 140 | 97.1 | 25.4 | -3.2 | 0 | 0 | 0 | 114 | |||||
| 243 | S | 28.8 | Very low | 31.8 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | 73.7 | 106.6 | 86 | -64.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 244 | S | 30.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 40.3 | 137.6 | 128.9 | -53.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 245 | Q | 30.8 | Very low | 32.6 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 159.6 | 147.6 | 131.9 | -70.7 | -119.4 | 1.5 | 0 | 0 | 106.2 | ||||
| 246 | V | 27 | Very low | 32.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | cis | -172.6 | 155.4 | 2 | 126.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 247 | L | 27.6 | Very low | 32.8 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 24.8 | 129 | 157.8 | -79.1 | 76.2 | 0 | 0 | 0 | 121 | ||||
| 248 | S | 28.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | -170.9 | 128.7 | 112.6 | 23.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 249 | H | 35.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 141 Ų | 141 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -69.1 | 163.5 | 165.4 | -94 | -80.6 | 0 | 0 | 0 | 111.3 | ||||
| 250 | P | 35.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -135.1 | 153.7 | 123.8 | 26.5 | -9.2 | 0 | 0 | 0 | 115 | |||||
| 251 | Q | 31.8 | Very low | 32.2 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 155.6 | -175.8 | -76.6 | 159.8 | -87.3 | 0 | 0 | 114.4 | ||||
| 252 | I | 37 | Very low | 31.9 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 150 | 162 | -60.2 | 160.1 | 0 | 0 | 0 | 110.8 | ||||
| 253 | P | 34.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 131.1 | 146.8 | 33.2 | -16.9 | 0 | 0 | 0 | 115 | ||||
| 254 | L | 31.7 | Very low | 32.2 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -149.2 | 162.4 | 147.3 | -77 | -177.8 | 0 | 0 | 0 | 105.5 | ||||
| 255 | P | 43.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | cis | -142.3 | -178.6 | 20.1 | 38.1 | -16.6 | 0 | 0 | 0 | 115.8 | ||||
| 256 | G | 29.9 | Very low | 32.2 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -175.1 | 104.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 257 | Q | 31.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | 23.8 | 138.4 | 141.9 | -51.8 | 179.4 | -1.4 | 0 | 0 | 119.1 | ||||
| 258 | G | 27.4 | Very low | 32.5 | Very low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | 153.8 | -174 | 30.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 259 | Y | 29.9 | Very low | 33.1 | Very low | 215 Ų | 215 | 140 Ų | 140 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 98.9 | 93.5 | 173.4 | -51.1 | -79.8 | 0 | 0 | 0 | 120 | ||||
| 260 | H | 30.5 | Very low | 33.1 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | 49.4 | 127 | 124.3 | -63.3 | -75.7 | 0 | 0 | 0 | 124.6 | |||||
| 261 | H | 29.7 | Very low | 33.1 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | 29.3 | 126.7 | 139.1 | -50.2 | -67.8 | 0 | 0 | 0 | 120.9 | ||||
| 262 | S | 28.5 | Very low | 33.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -179.3 | 128.4 | 106.5 | 26.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 263 | S | 32.8 | Very low | 33 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -66.1 | 161.9 | 156.8 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 264 | P | 41.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -139.9 | 158 | 117.7 | 31.6 | -15.4 | 0 | 0 | 0 | 116 | |||||
| 265 | T | 29.4 | Very low | 33.2 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 153 | 178.4 | -29 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 266 | S | 32.3 | Very low | 32.8 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 38.8 | 124.8 | 142.1 | 63.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 267 | Y | 28.2 | Very low | 33.2 | Very low | 224 Ų | 224 | 139.3 Ų | 139.3 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | 177.6 | 135.9 | 104.9 | -112.4 | -97.9 | 0 | 0 | 0 | 110.1 | |||||
| 268 | S | 32.7 | Very low | 33.3 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -70.8 | 156.4 | 156.3 | -110.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 269 | P | 40.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -149.9 | 162.9 | 68 | 33.7 | -11.3 | 0 | 0 | 0 | 117 | |||||
| 270 | F | 35.6 | Very low | 34 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -45.7 | 151.3 | 163.4 | -100.9 | -98.6 | 0 | 0 | 0 | 113.6 | ||||
| 271 | P | 36.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -127.3 | 135.2 | 125.8 | 13.9 | 5.8 | 0 | 0 | 0 | 112.7 | |||||
| 272 | Q | 35.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -68.8 | 152.3 | 167.8 | -59.9 | 169.6 | 17.8 | 0 | 0 | 111.1 | ||||
| 273 | Q | 30.5 | Very low | 35.3 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | 172.8 | 165.7 | 140 | -86.6 | -36.3 | -62.4 | 0 | 0 | 108.1 | ||||
| 274 | P | 41.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -131 | 171.3 | -80 | 30.9 | -8.3 | 0 | 0 | 0 | 113.8 | |||||
| 275 | G | 30.4 | Very low | 36 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 78.7 | 76.6 | 141 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 276 | S | 34.3 | Very low | 36.9 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 138.4 | 153.8 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 277 | L | 37.7 | Very low | 37.1 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 137.4 | -176.4 | -77.1 | 162.5 | 0 | 0 | 0 | 112.6 | ||||
| 278 | R | 34.9 | Very low | 37.4 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 115.4 | 180 | -172.9 | -178.3 | -176.5 | 152.7 | -0.6 | 110.9 | Q280 | R278-Q280 HydrophobicContact CG-CG 4.26Š| ||
| 279 | Y | 32.8 | Very low | 37.5 | Very low | 228 Ų | 228 | 144.8 Ų | 144.8 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -101.7 | 112.9 | 150.4 | -105.5 | -93.6 | 0 | 0 | 0 | 107.4 | E281 | Y279-E281 PolarHBondContact O-N 2.85Š| ||
| 280 | Q | 39.8 | Very low | 37.8 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | -76.3 | 113.4 | 169.5 | -90.4 | 165.9 | -39.9 | 0 | 0 | 107.9 | R278 | R278-Q280 HydrophobicContact CG-CG 4.26Š| ||
| 281 | E | 37.1 | Very low | 38.5 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -114.8 | 135.8 | 161 | -134.6 | 168.4 | 140.7 | 0 | 0 | 108.8 | Y279 | Y279-E281 PolarHBondContact O-N 2.85Š| ||
| 282 | L | 40.4 | Very low | 38.8 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -67.9 | 126.3 | -159.4 | -68.2 | 150 | 0 | 0 | 0 | 111.6 | ||||
| 283 | M | 37.5 | Very low | 39.3 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -83.8 | 129.7 | 165.3 | -65.6 | 174.9 | 85 | 0 | 0 | 109.6 | ||||
| 284 | S | 37.3 | Very low | 40.4 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -139.9 | 151.9 | 150.9 | -85.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 285 | P | 51.9 | Low | 40.7 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -110.8 | 161.4 | -130.1 | 38 | -31.3 | 0 | 0 | 0 | 113.8 | ||||
| 286 | G | 46.8 | Very low | 41.5 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | 74.9 | 94.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 287 | G | 36.6 | Very low | 42.4 | Very low | 72 Ų | 72 | 152.2 Ų | 152.2 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -139.5 | 116.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 288 | D | 36.4 | Very low | 43 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -50.6 | 138 | -179.3 | -59.1 | -70.9 | 0 | 0 | 0 | 112.2 | L290 | D288-L290 PolarHBondContact O-N 3.08Š| ||
| 289 | C | 33.8 | Very low | 43.6 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | trans | -62.1 | 93.5 | 172.6 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 290 | L | 46.6 | Very low | 44.6 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -67.4 | 136.4 | 160.4 | -93 | 151.1 | 0 | 0 | 0 | 108.9 | D288 E292 | D288-L290 PolarHBondContact O-N 3.08Å; L290-E292 PolarHBondContact O-N 2.94Å | ||
| 291 | P | 49.3 | Very low | 45.2 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -59.5 | 127.9 | 174.3 | -16.1 | 28.2 | 0 | 0 | 0 | 109.4 | E293 | P291-E293 PolarHBondContact O-N 3.16Š| ||
| 292 | E | 44.6 | Very low | 46.1 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -53.7 | 108.4 | 169.8 | -81.5 | -103.1 | 136.2 | 0 | 0 | 109.1 | L290 | L290-E292 PolarHBondContact O-N 2.94Š| ||
| 293 | E | 45.1 | Very low | 46.3 | Very low | 171 Ų | 171 | 152 Ų | 152 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -51.9 | 126.1 | 168.3 | -77.6 | -92.1 | 132.1 | 0 | 0 | 108.9 | P291 K295 | P291-E293 PolarHBondContact O-N 3.16Å; E293-K295 PolarHBondContact O-N 3.14Å | ||
| 294 | P | 53.8 | Low | 47 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -62.7 | 110.8 | 179.7 | 23.7 | -31.4 | 0 | 0 | 0 | 109.3 | P296 | P294-P296 VanDerWaalsContact O-N 3.14Š| ||
| 295 | K | 47 | Very low | 48.2 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -42.3 | 122.3 | 176.1 | -68.9 | 175.4 | -176.8 | 169.8 | 0 | 109.3 | E293 K297 | E293-K295 PolarHBondContact O-N 3.14Å; K295-K297 PolarHBondContact O-N 2.78Å | ||
| 296 | P | 48 | Very low | 48.8 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -60.8 | 114.5 | -179.8 | 22.4 | -31.3 | 0 | 0 | 0 | 107.7 | P294 R298 | P294-P296 VanDerWaalsContact O-N 3.14Å; P296-R298 PolarHBondContact O-N 3.43Å | ||
| 297 | K | 53.3 | Low | 50 | Low | 205 Ų | 205 | 162.2 Ų | 162.2 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -52.6 | 105.6 | 169.3 | -68.7 | 179.3 | -179.2 | 175.6 | 0 | 105.5 | K295 G299 | K295-K297 PolarHBondContact O-N 2.78Å; K297-G299 PolarHBondContact O-N 2.96Å | ||
| 298 | R | 49.8 | Very low | 52.1 | Low | 247 Ų | 247 | 164.9 Ų | 164.9 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 94 | 170.5 | -73.4 | -175.5 | -167.9 | -125.1 | 1 | 105.5 | P296 R300 | P296-R298 PolarHBondContact O-N 3.43Å; R298-R300 PolarHBondContact O-N 2.85Å | ||
| 299 | G | 48.3 | Very low | 54.4 | Low | 58 Ų | 58 | 159.2 Ų | 159.2 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | trans | -53.3 | 126.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | K297 R301 | K297-G299 PolarHBondContact O-N 2.96Å; G299-R301 VanDerWaalsContact C-N 3.31Å; G299-R301 PolarHBondContact O-N 2.91Å | ||
| 300 | R | 53.4 | Low | 56.9 | Low | 240 Ų | 240 | 157.2 Ų | 157.2 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -51.3 | 108.3 | 160.8 | -97.3 | -175.7 | 174 | -92.6 | 0.9 | 104.9 | R298 S302 | R298-R300 PolarHBondContact O-N 2.85Å; R300-S302 PolarHBondContact O-N 2.61Å | ||
| 301 | R | 52.4 | Low | 59 | Low | 224 Ų | 224 | 152.7 Ų | 152.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -64.6 | 84.4 | 168.4 | -75.7 | -174.2 | -74.9 | -113.1 | 2.1 | 106.5 | G299 W303 | G299-R301 VanDerWaalsContact C-N 3.31Å; G299-R301 PolarHBondContact O-N 2.91Å; R301-W303 PolarHBondContact O-N 2.89Å | ||
| 302 | S | 55.4 | Low | 61 | Low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -76.9 | 65.6 | 166.5 | 62.4 | 0 | 0 | 0 | 0 | 107.4 | R300 P304 | R300-S302 PolarHBondContact O-N 2.61Å; S302-P304 VanDerWaalsContact O-CD 3.3Å; S302-P304 WeakPolarHBondContact O-CD 3.41Å | ||
| 303 | W | 44.1 | Very low | 63.3 | Low | 213 Ų | 213 | 143 Ų | 143 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 120.1 | 161 | -85.6 | 59.7 | 0 | 0 | 0 | 106.2 | R301 R305 | R301-W303 PolarHBondContact O-N 2.89Å; W303-R305 PolarHBondContact O-N 3.02Å | ||
| 304 | P | 52.3 | Low | 65.5 | Low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -68.2 | 89.5 | 169.8 | 29 | -30.6 | 0 | 0 | 0 | 106.2 | S302 K306 | S302-P304 VanDerWaalsContact O-CD 3.3Å; S302-P304 WeakPolarHBondContact O-CD 3.41Å; P304-K306 PolarHBondContact O-N 2.94Å | ||
| 305 | R | 62.3 | Low | 67.2 | Low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 67% | 0.667 | S | S | * | * | trans | -62 | 95.1 | 158.8 | -89.6 | -170.9 | -174.5 | -138.5 | 1.4 | 104.8 | W303 R307 | W303-R305 PolarHBondContact O-N 3.02Å; R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 PolarHBondContact O-N 3.47Å | ||
| 306 | K | 66.3 | Low | 69.3 | Low | 188 Ų | 188 | 138 Ų | 138 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | trans | -48.1 | 111.7 | 159.6 | -85.3 | -179.5 | 179.4 | 176.4 | 0 | 104.2 | P304 I308 | P304-K306 PolarHBondContact O-N 2.94Å; K306-I308 PolarHBondContact O-N 2.72Å | ||
| 307 | R | 70.7 | Confident | 71.1 | Confident | 192 Ų | 192 | 136.9 Ų | 136.9 | 73% | 0.725 | 68% | 0.675 | S | S | * | * | trans | -74.5 | 89.2 | -175.9 | -138.7 | -173.6 | -62 | -156.1 | 2.7 | 104.2 | R305 A309 T323 | R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 PolarHBondContact O-N 3.47Å; R307-A309 PolarHBondContact O-N 3.46Å; R307-T323 HydrophobicContact CB-CG2 3.83Å; R307-T323 HydrophobicContact CG-CG2 3.88Å; R307-T323 VanDerWaalsContact O-CG2 3.28Å; R307-T323 WeakPolarHBondContact O-CG2 3.37Å | ||
| 308 | I | 81.5 | Confident | 72.9 | Confident | 127 Ų | 127 | 128.3 Ų | 128.3 | 65% | 0.651 | 64% | 0.641 | S | S | * | * | trans | -64.7 | 122 | -176.5 | -58.9 | 171.2 | 0 | 0 | 0 | 106.6 | K306 T310 | K306-I308 PolarHBondContact O-N 2.72Å; I308-T310 HydrophobicContact CB-CG2 4.39Å; I308-T310 HydrophobicContact CG2-CG2 3.84Å; I308-T310 PolarHBondContact O-N 3.02Å | ||
| 309 | A | 84.1 | Confident | 74.6 | Confident | 42 Ų | 42 | 119.5 Ų | 119.5 | 35% | 0.347 | 63% | 0.627 | S | S | . | * | trans | -80.1 | 98.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | R307 Y322 T323 | R307-A309 PolarHBondContact O-N 3.46Å; A309-Y322 CarbonylContact C-O 3.48Å; A309-Y322 WeakPolarHBondContact CA-O 3.48Å; A309-T323 HydrophobicContact CB-CG2 4.06Å | ||
| 310 | T | 87 | Confident | 76.7 | Confident | 92 Ų | 92 | 122 Ų | 122 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | trans | -95.9 | -11.8 | -176.9 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | I308 Y322 | I308-T310 HydrophobicContact CB-CG2 4.39Å; I308-T310 HydrophobicContact CG2-CG2 3.84Å; I308-T310 PolarHBondContact O-N 3.02Å; T310-Y322 PolarHBondContact N-O 3.26Å; T310-Y322 VanDerWaalsContact N-O 3.16Å | ||
| 311 | H | 89.6 | Confident | 78.5 | Confident | 62 Ų | 62 | 114.1 Ų | 114.1 | 29% | 0.287 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 98.9 | -173.7 | -61.7 | -68.1 | 0 | 0 | 0 | 110.5 | T321 Y322 S325 L328 | H311-T321 CarbonylContact O-C 3.53Å; H311-T321 VanDerWaalsContact O-CA 3.32Å; H311-T321 WeakPolarHBondContact O-CA 3.33Å; H311-Y322 WeakPolarHBondContact CB-O 3.35Å; H311-Y322 PolarHBondContact N-O 2.83Å; H311-Y322 PolarHBondContact O-N 3.4Å; H311-S325 PolarHBondContact CD2-N 3.5Å; H311-S325 PolarHBondContact NE2-N 3.2Å; H311-L328 HydrophobicContact CB-CB 4.03Å; H311-L328 HydrophobicContact CB-CD2 3.87Å; H311-L328 HydrophobicContact CB-CG 4.45Å |
| 312 | T | 91.1 | Very high | 80.4 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 147.6 | 176.2 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | K320 T321 L328 | T312-K320 CarbonylContact C-O 3.57Å; T312-K320 WeakPolarHBondContact CA-O 3.16Å; T312-T321 HydrophobicContact CG2-CG2 3.41Å; T312-T321 VanDerWaalsContact CG2-CG2 3.41Å; T312-L328 WeakPolarHBondContact O-CD1 3.09Å; T312-L328 WeakPolarHBondContact O-CD2 3.05Å |
| 313 | C | 93.4 | Very high | 82.1 | Confident | 7 Ų | 7 | 103 Ų | 103 | 5% | 0.047 | 55% | 0.548 | C | S | . | . | trans | -86.9 | 123.7 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | Y315 C318 K320 L328 H331 | C313-Y315 VanDerWaalsContact C-N 3.28Å; C313-Y315 PolarHBondContact O-N 2.62Å; C313-C318 HydrophobicContact CB-CB 4.42Å; C313-K320 PolarHBondContact N-O 3.33Å; C313-L328 HydrophobicContact CB-CD1 3.8Å; C313-H331 PolarHBondContact SG-NE2 2.69Å | ||
| 314 | D | 90.7 | Very high | 84.3 | Confident | 138 Ų | 138 | 97.8 Ų | 97.8 | 74% | 0.738 | 53% | 0.531 | S | S | * | . | trans | -87.8 | 3.1 | -176.7 | -53.4 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 315 | Y | 90 | Very high | 86.1 | Confident | 129 Ų | 129 | 95.9 Ų | 95.9 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -67.3 | 135.4 | 177.1 | -166.9 | -92.1 | 0 | 0 | 0 | 111 | C313 G317 C318 H335 | C313-Y315 VanDerWaalsContact C-N 3.28Å; C313-Y315 PolarHBondContact O-N 2.62Å; Y315-G317 PolarHBondContact O-N 3Å; Y315-G317 VanDerWaalsContact O-N 3.15Å; Y315-C318 HydrophobicContact CD1-CB 4.48Å; Y315-C318 WeakPolarHBondContact O-CB 3.35Å; Y315-C318 PolarHBondContact O-N 3.33Å; Y315-H335 HydrophobicContact CD1-CB 4.43Å; Y315-H335 AromaticContact CD1-CE1 3.32Å; Y315-H335 WeakPolarHBondContact CD1-CE1 3.31Å; Y315-H335 AromaticContact CD1-CG 3.72Å; Y315-H335 AromaticContact CD1-ND1 3.12Å; Y315-H335 WeakPolarHBondContact CD1-ND1 3.49Å; Y315-H335 HydrophobicContact CD2-CB 3.56Å; Y315-H335 AromaticContact CD2-CG 3.61Å; Y315-H335 AromaticContact CD2-ND1 3.86Å; Y315-H335 AromaticContact CE1-CE1 3.92Å; Y315-H335 AromaticContact CE1-ND1 3.35Å; Y315-H335 VanDerWaalsContact CE1-ND1 3.35Å; Y315-H335 WeakPolarHBondContact CE1-ND1 3.26Å; Y315-H335 HydrophobicContact CE2-CB 3.67Å; Y315-H335 HydrophobicContact CG-CB 3.95Å; Y315-H335 AromaticContact CG-CD2 3.76Å; Y315-H335 AromaticContact CG-CE1 3.66Å; Y315-H335 AromaticContact CG-CG 3.43Å; Y315-H335 VanDerWaalsContact CG-CG 3.43Å; Y315-H335 AromaticContact CG-ND1 3.37Å; Y315-H335 AromaticContact CG-NE2 3.92Å; Y315-H335 AromaticContact CZ-ND1 3.82Å |
| 316 | A | 91 | Very high | 87.3 | Confident | 90 Ų | 90 | 88 Ų | 88 | 74% | 0.744 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 120 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C318 | A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.4Å |
| 317 | G | 87.3 | Confident | 88.4 | Confident | 93 Ų | 93 | 83 Ų | 83 | 96% | 0.959 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y315 | Y315-G317 PolarHBondContact O-N 3Å; Y315-G317 VanDerWaalsContact O-N 3.15Å |
| 318 | C | 89.7 | Confident | 89.3 | Confident | 26 Ų | 26 | 75 Ų | 75 | 18% | 0.176 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -56.9 | -179.7 | -171.5 | 0 | 0 | 0 | 0 | 113.5 | C313 Y315 A316 K320 H331 H335 | C313-C318 HydrophobicContact CB-CB 4.42Å; Y315-C318 HydrophobicContact CD1-CB 4.48Å; Y315-C318 WeakPolarHBondContact O-CB 3.35Å; Y315-C318 PolarHBondContact O-N 3.33Å; A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.4Å; C318-K320 PolarHBondContact O-N 3.2Å; C318-H331 VanDerWaalsContact SG-CE1 3.52Å; C318-H331 PolarHBondContact SG-NE2 3.08Å; C318-H335 PolarHBondContact SG-NE2 2.88Å |
| 319 | G | 87.1 | Confident | 89.6 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | trans | 60 | 8.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 320 | K | 90.8 | Very high | 89.7 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 48% | 0.478 | 44% | 0.439 | S | S | . | . | trans | -70.8 | 140 | -177.2 | -69.9 | 178.2 | -171.7 | 172.7 | 0 | 111.4 | T312 C313 C318 Y322 | T312-K320 CarbonylContact C-O 3.57Å; T312-K320 WeakPolarHBondContact CA-O 3.16Å; C313-K320 PolarHBondContact N-O 3.33Å; C318-K320 PolarHBondContact O-N 3.2Å; K320-Y322 HydrophobicContact CB-CE2 3.75Å | ||
| 321 | T | 92.3 | Very high | 89.7 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 47% | 0.466 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144 | -178.4 | 66 | 0 | 0 | 0 | 0 | 112.6 | H311 T312 | H311-T321 CarbonylContact O-C 3.53Å; H311-T321 VanDerWaalsContact O-CA 3.32Å; H311-T321 WeakPolarHBondContact O-CA 3.33Å; T312-T321 HydrophobicContact CG2-CG2 3.41Å; T312-T321 VanDerWaalsContact CG2-CG2 3.41Å |
| 322 | Y | 91.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 71 Ų | 71 | 20% | 0.2 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.9 | -173 | -59.9 | -87.9 | 0 | 0 | 0 | 110.9 | A309 T310 H311 K320 H327 L328 H331 | A309-Y322 CarbonylContact C-O 3.48Å; A309-Y322 WeakPolarHBondContact CA-O 3.48Å; T310-Y322 PolarHBondContact N-O 3.26Å; T310-Y322 VanDerWaalsContact N-O 3.16Å; H311-Y322 WeakPolarHBondContact CB-O 3.35Å; H311-Y322 PolarHBondContact N-O 2.83Å; H311-Y322 PolarHBondContact O-N 3.4Å; K320-Y322 HydrophobicContact CB-CE2 3.75Å; Y322-H327 HydrophobicContact CD1-CB 3.63Å; Y322-H327 HydrophobicContact CE1-CB 4.45Å; Y322-H327 HydrophobicContact CG-CB 4.1Å; Y322-L328 HydrophobicContact CD2-CB 4.04Å; Y322-L328 HydrophobicContact CD2-CD1 3.63Å; Y322-L328 HydrophobicContact CD2-CG 4.49Å; Y322-L328 HydrophobicContact CE2-CD1 3.99Å; Y322-L328 HydrophobicContact CG-CB 4.36Å; Y322-H331 HydrophobicContact CE1-CB 4.18Å; Y322-H331 HydrophobicContact CE2-CB 3.84Å; Y322-H331 AromaticContact CE2-CD2 3.31Å; Y322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; Y322-H331 AromaticContact CE2-CG 3.7Å; Y322-H331 AromaticContact CZ-CD2 3.59Å; Y322-H331 AromaticContact CZ-CG 3.49Å; Y322-H331 VanDerWaalsContact CZ-CG 3.49Å; Y322-H331 WeakPolarHBondContact OH-CB 3.24Å; Y322-H331 PolarHBondContact OH-CD2 3.06Å; Y322-H331 VanDerWaalsContact OH-CD2 3.22Å; Y322-H331 PolarHBondContact OH-ND1 2.91Å |
| 323 | T | 91.6 | Very high | 89.4 | Confident | 45 Ų | 45 | 69.4 Ų | 69.4 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -85.4 | -13.3 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | R307 A309 | R307-T323 HydrophobicContact CB-CG2 3.83Å; R307-T323 HydrophobicContact CG-CG2 3.88Å; R307-T323 VanDerWaalsContact O-CG2 3.28Å; R307-T323 WeakPolarHBondContact O-CG2 3.37Å; A309-T323 HydrophobicContact CB-CG2 4.06Å |
| 324 | K | 89.4 | Confident | 88.9 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -133.1 | 137.6 | 179.5 | -63.4 | -175.4 | 179 | -177.5 | 0 | 109.4 | S326 H327 L328 | K324-S326 PolarHBondContact O-N 2.87Å; K324-H327 PolarHBondContact O-N 3.4Å; K324-H327 VanDerWaalsContact O-N 3.13Å; K324-L328 PolarHBondContact O-N 3.49Å |
| 325 | S | 89.8 | Confident | 88.6 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 53% | 0.531 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -34.1 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | H311 H327 L328 K329 | H311-S325 PolarHBondContact CD2-N 3.5Å; H311-S325 PolarHBondContact NE2-N 3.2Å; S325-H327 VanDerWaalsContact C-N 3.31Å; S325-H327 PolarHBondContact O-N 3.36Å; S325-L328 PolarHBondContact O-N 3.19Å; S325-K329 PolarHBondContact O-N 3.13Å |
| 326 | S | 88 | Confident | 88.3 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 176.4 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | K324 A330 | K324-S326 PolarHBondContact O-N 2.87Å; S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 3.39Å |
| 327 | H | 89.2 | Confident | 88 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 38% | 0.384 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.6 | -38.7 | 175.8 | -63.9 | 174.8 | 0 | 0 | 0 | 111.5 | Y322 K324 S325 A330 H331 | Y322-H327 HydrophobicContact CD1-CB 3.63Å; Y322-H327 HydrophobicContact CE1-CB 4.45Å; Y322-H327 HydrophobicContact CG-CB 4.1Å; K324-H327 PolarHBondContact O-N 3.4Å; K324-H327 VanDerWaalsContact O-N 3.13Å; S325-H327 VanDerWaalsContact C-N 3.31Å; S325-H327 PolarHBondContact O-N 3.36Å; H327-A330 PolarHBondContact O-N 3.36Å; H327-H331 VanDerWaalsContact O-CB 3.3Å; H327-H331 WeakPolarHBondContact O-CB 3.21Å; H327-H331 PolarHBondContact O-N 3.3Å |
| 328 | L | 90.7 | Very high | 87.8 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 172.8 | 180 | 68.5 | 0 | 0 | 0 | 110.8 | H311 T312 C313 Y322 K324 S325 A330 H331 H332 | H311-L328 HydrophobicContact CB-CB 4.03Å; H311-L328 HydrophobicContact CB-CD2 3.87Å; H311-L328 HydrophobicContact CB-CG 4.45Å; T312-L328 WeakPolarHBondContact O-CD1 3.09Å; T312-L328 WeakPolarHBondContact O-CD2 3.05Å; C313-L328 HydrophobicContact CB-CD1 3.8Å; Y322-L328 HydrophobicContact CD2-CB 4.04Å; Y322-L328 HydrophobicContact CD2-CD1 3.63Å; Y322-L328 HydrophobicContact CD2-CG 4.49Å; Y322-L328 HydrophobicContact CE2-CD1 3.99Å; Y322-L328 HydrophobicContact CG-CB 4.36Å; K324-L328 PolarHBondContact O-N 3.49Å; S325-L328 PolarHBondContact O-N 3.19Å; L328-A330 PolarHBondContact O-N 2.81Å; L328-H331 CarbonylContact O-C 3.6Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.48Å; L328-H331 PolarHBondContact O-N 3.32Å; L328-H331 VanDerWaalsContact O-N 3.09Å; L328-H332 VanDerWaalsContact CD1-NE2 3.27Å; L328-H332 WeakPolarHBondContact CD1-NE2 3.48Å; L328-H332 WeakPolarHBondContact CG-NE2 3.16Å; L328-H332 PolarHBondContact O-CD2 3.5Å; L328-H332 PolarHBondContact O-N 3.26Å |
| 329 | K | 86.6 | Confident | 87.7 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 61% | 0.609 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 177.2 | -173.3 | 173.3 | -175.3 | 174.5 | 0 | 112.2 | S325 H331 H332 | S325-K329 PolarHBondContact O-N 3.13Å; K329-H331 VanDerWaalsContact C-N 3.29Å; K329-H331 PolarHBondContact O-N 2.78Å; K329-H332 PolarHBondContact O-N 2.87Å |
| 330 | A | 85.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S326 H327 L328 R333 R354 | S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 3.39Å; H327-A330 PolarHBondContact O-N 3.36Å; L328-A330 PolarHBondContact O-N 2.81Å; A330-R333 WeakPolarHBondContact O-CB 3.23Å; A330-R333 PolarHBondContact O-N 2.98Å; A330-R354 HydrophobicContact CB-CG 4.29Å |
| 331 | H | 87.5 | Confident | 87.5 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.06 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 174.6 | 169.1 | 49.3 | 0 | 0 | 0 | 112.7 | C313 C318 Y322 H327 L328 K329 R333 T334 H335 | C313-H331 PolarHBondContact SG-NE2 2.69Å; C318-H331 VanDerWaalsContact SG-CE1 3.52Å; C318-H331 PolarHBondContact SG-NE2 3.08Å; Y322-H331 HydrophobicContact CE1-CB 4.18Å; Y322-H331 HydrophobicContact CE2-CB 3.84Å; Y322-H331 AromaticContact CE2-CD2 3.31Å; Y322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; Y322-H331 AromaticContact CE2-CG 3.7Å; Y322-H331 AromaticContact CZ-CD2 3.59Å; Y322-H331 AromaticContact CZ-CG 3.49Å; Y322-H331 VanDerWaalsContact CZ-CG 3.49Å; Y322-H331 WeakPolarHBondContact OH-CB 3.24Å; Y322-H331 PolarHBondContact OH-CD2 3.06Å; Y322-H331 VanDerWaalsContact OH-CD2 3.22Å; Y322-H331 PolarHBondContact OH-ND1 2.91Å; H327-H331 VanDerWaalsContact O-CB 3.3Å; H327-H331 WeakPolarHBondContact O-CB 3.21Å; H327-H331 PolarHBondContact O-N 3.3Å; L328-H331 CarbonylContact O-C 3.6Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.48Å; L328-H331 PolarHBondContact O-N 3.32Å; L328-H331 VanDerWaalsContact O-N 3.09Å; K329-H331 VanDerWaalsContact C-N 3.29Å; K329-H331 PolarHBondContact O-N 2.78Å; H331-R333 PolarHBondContact O-N 2.91Å; H331-R333 VanDerWaalsContact O-N 3.1Å; H331-T334 PolarHBondContact CE1-OG1 3.23Å; H331-T334 PolarHBondContact ND1-OG1 2.78Å; H331-T334 VanDerWaalsContact ND1-OG1 3.17Å; H331-T334 WeakPolarHBondContact O-CB 3.2Å; H331-T334 PolarHBondContact O-N 2.78Å; H331-T334 PolarHBondContact O-OG1 2.89Å; H331-H335 AromaticContact CE1-CD2 3.87Å; H331-H335 AromaticContact CE1-NE2 3.26Å; H331-H335 PolarHBondContact CE1-NE2 2.67Å; H331-H335 VanDerWaalsContact CE1-NE2 3.26Å; H331-H335 AromaticContact NE2-CD2 3.91Å; H331-H335 AromaticContact NE2-NE2 3.31Å; H331-H335 PolarHBondContact NE2-NE2 2.81Å |
| 332 | H | 86.8 | Confident | 87.4 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.9 | -30.4 | 176.7 | -72.5 | -169.3 | 0 | 0 | 0 | 112.4 | L328 K329 T334 H335 T336 | L328-H332 VanDerWaalsContact CD1-NE2 3.27Å; L328-H332 WeakPolarHBondContact CD1-NE2 3.48Å; L328-H332 WeakPolarHBondContact CG-NE2 3.16Å; L328-H332 PolarHBondContact O-CD2 3.5Å; L328-H332 PolarHBondContact O-N 3.26Å; K329-H332 PolarHBondContact O-N 2.87Å; H332-T334 PolarHBondContact O-N 2.98Å; H332-H335 WeakPolarHBondContact O-CB 3.41Å; H332-H335 PolarHBondContact O-N 2.86Å; H332-T336 PolarHBondContact O-N 2.73Å; H332-T336 VanDerWaalsContact O-N 3.12Å; H332-T336 PolarHBondContact O-OG1 3.43Å |
| 333 | R | 87.1 | Confident | 87.4 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 15% | 0.151 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -22.5 | 173.4 | -61.1 | -173 | -177.7 | 110 | 2.3 | 114.1 | A330 H331 H335 T336 G337 E338 A353 | A330-R333 WeakPolarHBondContact O-CB 3.23Å; A330-R333 PolarHBondContact O-N 2.98Å; H331-R333 PolarHBondContact O-N 2.91Å; H331-R333 VanDerWaalsContact O-N 3.1Å; R333-H335 VanDerWaalsContact C-N 3.25Å; R333-H335 PolarHBondContact O-N 2.8Å; R333-T336 WeakPolarHBondContact CA-OG1 3.48Å; R333-G337 VanDerWaalsContact O-CA 3.31Å; R333-G337 WeakPolarHBondContact O-CA 3.32Å; R333-G337 PolarHBondContact O-N 3.34Å; R333-E338 HydrophobicContact CB-CB 4.38Å; R333-E338 WeakPolarHBondContact CB-O 3.49Å; R333-E338 HydrophobicContact CG-CB 4.19Å; R333-E338 PolarHBondContact O-N 3.12Å; R333-A353 HydrophobicContact CB-CB 4.11Å; R333-A353 WeakPolarHBondContact CD-O 3.35Å; R333-A353 PolarHBondContact NH1-O 3.33Å |
| 334 | T | 84.3 | Confident | 87.3 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 58% | 0.577 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -73.4 | -21.3 | 173.8 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | H331 H332 | H331-T334 PolarHBondContact CE1-OG1 3.23Å; H331-T334 PolarHBondContact ND1-OG1 2.78Å; H331-T334 VanDerWaalsContact ND1-OG1 3.17Å; H331-T334 WeakPolarHBondContact O-CB 3.2Å; H331-T334 PolarHBondContact O-N 2.78Å; H331-T334 PolarHBondContact O-OG1 2.89Å; H332-T334 PolarHBondContact O-N 2.98Å |
| 335 | H | 84.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -89.8 | -39.8 | 176.1 | -67.6 | -60.4 | 0 | 0 | 0 | 112 | Y315 C318 H331 H332 R333 | Y315-H335 HydrophobicContact CD1-CB 4.43Å; Y315-H335 AromaticContact CD1-CE1 3.32Å; Y315-H335 WeakPolarHBondContact CD1-CE1 3.31Å; Y315-H335 AromaticContact CD1-CG 3.72Å; Y315-H335 AromaticContact CD1-ND1 3.12Å; Y315-H335 WeakPolarHBondContact CD1-ND1 3.49Å; Y315-H335 HydrophobicContact CD2-CB 3.56Å; Y315-H335 AromaticContact CD2-CG 3.61Å; Y315-H335 AromaticContact CD2-ND1 3.86Å; Y315-H335 AromaticContact CE1-CE1 3.92Å; Y315-H335 AromaticContact CE1-ND1 3.35Å; Y315-H335 VanDerWaalsContact CE1-ND1 3.35Å; Y315-H335 WeakPolarHBondContact CE1-ND1 3.26Å; Y315-H335 HydrophobicContact CE2-CB 3.67Å; Y315-H335 HydrophobicContact CG-CB 3.95Å; Y315-H335 AromaticContact CG-CD2 3.76Å; Y315-H335 AromaticContact CG-CE1 3.66Å; Y315-H335 AromaticContact CG-CG 3.43Å; Y315-H335 VanDerWaalsContact CG-CG 3.43Å; Y315-H335 AromaticContact CG-ND1 3.37Å; Y315-H335 AromaticContact CG-NE2 3.92Å; Y315-H335 AromaticContact CZ-ND1 3.82Å; C318-H335 PolarHBondContact SG-NE2 2.88Å; H331-H335 AromaticContact CE1-CD2 3.87Å; H331-H335 AromaticContact CE1-NE2 3.26Å; H331-H335 PolarHBondContact CE1-NE2 2.67Å; H331-H335 VanDerWaalsContact CE1-NE2 3.26Å; H331-H335 AromaticContact NE2-CD2 3.91Å; H331-H335 AromaticContact NE2-NE2 3.31Å; H331-H335 PolarHBondContact NE2-NE2 2.81Å; H332-H335 WeakPolarHBondContact O-CB 3.41Å; H332-H335 PolarHBondContact O-N 2.86Å; R333-H335 VanDerWaalsContact C-N 3.25Å; R333-H335 PolarHBondContact O-N 2.8Å |
| 336 | T | 83.2 | Confident | 87.2 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -83.8 | -15.4 | 179.3 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | H332 R333 E338 | H332-T336 PolarHBondContact O-N 2.73Å; H332-T336 VanDerWaalsContact O-N 3.12Å; H332-T336 PolarHBondContact O-OG1 3.43Å; R333-T336 WeakPolarHBondContact CA-OG1 3.48Å; T336-E338 PolarHBondContact O-N 3.27Å; T336-E338 WeakPolarHBondContact OG1-CG 3.37Å |
| 337 | G | 83.7 | Confident | 87 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | trans | 71.7 | 9.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R333 K339 | R333-G337 VanDerWaalsContact O-CA 3.31Å; R333-G337 WeakPolarHBondContact O-CA 3.32Å; R333-G337 PolarHBondContact O-N 3.34Å; G337-K339 PolarHBondContact O-N 3.42Å | ||
| 338 | E | 83.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | trans | -64.3 | 123.3 | -179.2 | -75.4 | 177.3 | -172 | 0 | 0 | 111.7 | I190 R333 T336 P340 | I190-E338 HydrophobicContact CD1-CG 4.29Å; R333-E338 HydrophobicContact CB-CB 4.38Å; R333-E338 WeakPolarHBondContact CB-O 3.49Å; R333-E338 HydrophobicContact CG-CB 4.19Å; R333-E338 PolarHBondContact O-N 3.12Å; T336-E338 PolarHBondContact O-N 3.27Å; T336-E338 WeakPolarHBondContact OG1-CG 3.37Å; E338-P340 WeakPolarHBondContact O-CD 3.23Å | ||
| 339 | K | 86.9 | Confident | 86.7 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 52% | 0.517 | 39% | 0.389 | S | S | . | . | trans | -123.8 | 80.4 | 177.9 | -68.5 | 169.6 | 169.6 | -164 | 0 | 109.6 | G337 Y341 K351 F352 | G337-K339 PolarHBondContact O-N 3.42Å; K339-Y341 PolarHBondContact O-N 2.82Å; K339-K351 HydrophobicContact CB-CB 3.61Å; K339-K351 HydrophobicContact CD-CB 4.07Å; K339-K351 WeakPolarHBondContact CD-O 3.33Å; K339-K351 HydrophobicContact CG-CB 4.44Å; K339-F352 CarbonylContact C-O 3.34Å; K339-F352 VanDerWaalsContact C-O 3.29Å; K339-F352 VanDerWaalsContact CA-O 3.23Å; K339-F352 WeakPolarHBondContact CA-O 3.29Å | ||
| 340 | P | 86.1 | Confident | 86.6 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 40% | 0.403 | 38% | 0.378 | S | S | . | . | trans | -75.2 | -9.9 | -174.4 | 29.1 | -33.5 | 0 | 0 | 0 | 113.5 | E338 | E338-P340 WeakPolarHBondContact O-CD 3.23Š| ||
| 341 | Y | 88.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 106.3 | -176.6 | -58.5 | -78.6 | 0 | 0 | 0 | 110.1 | K339 K351 F352 A353 R354 | K339-Y341 PolarHBondContact O-N 2.82Å; Y341-K351 CarbonylContact O-C 3.46Å; Y341-K351 WeakPolarHBondContact O-CA 3.49Å; Y341-F352 WeakPolarHBondContact CB-O 3.48Å; Y341-F352 PolarHBondContact N-O 2.96Å; Y341-F352 VanDerWaalsContact N-O 3.11Å; Y341-F352 PolarHBondContact O-N 3.48Å; Y341-A353 WeakPolarHBondContact CE2-O 3.37Å; Y341-R354 VanDerWaalsContact CD2-CA 3.5Å |
| 342 | C | 89.2 | Confident | 86.8 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 149.1 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111 | C188 K351 L358 | C188-C342 VanDerWaalsContact SG-SG 3.62Å; C342-K351 HydrophobicContact CB-CG 4.45Å; C342-L358 WeakPolarHBondContact O-CD1 3.26Å; C342-L358 VanDerWaalsContact O-CD2 3.24Å; C342-L358 WeakPolarHBondContact O-CD2 3.49Å |
| 343 | C | 91.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | trans | -85.7 | 118.3 | 167.1 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | W345 C348 W350 L358 H361 H365 | C343-W345 PolarHBondContact O-N 2.78Å; C343-W345 VanDerWaalsContact SG-CB 3.56Å; C343-C348 HydrophobicContact CB-CB 4.49Å; C343-W350 HydrophobicContact CB-CB 4.41Å; C343-W350 PolarHBondContact N-O 3.1Å; C343-L358 HydrophobicContact CB-CD1 3.93Å; C343-H361 PolarHBondContact SG-CD2 3.32Å; C343-H361 PolarHBondContact SG-NE2 3.18Å; C343-H361 VanDerWaalsContact SG-NE2 3.36Å; C343-H365 PolarHBondContact SG-NE2 3.37Å; C343-H365 VanDerWaalsContact SG-NE2 3.39Å | ||
| 344 | D | 89.9 | Confident | 86.8 | Confident | 122 Ų | 122 | 72.6 Ų | 72.6 | 65% | 0.652 | 40% | 0.397 | S | S | * | . | trans | -84.6 | 11.7 | 178.2 | -50.3 | -33 | 0 | 0 | 0 | 112.2 | Y362 | D344-Y362 VanDerWaalsContact CB-OH 3.3Å; D344-Y362 WeakPolarHBondContact CB-OH 3.21Å; D344-Y362 PolarHBondContact N-OH 3.09Å; D344-Y362 PolarHBondContact OD2-OH 3.18Å | ||
| 345 | W | 87.9 | Confident | 87 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 45% | 0.451 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -74.8 | 128.7 | 173.6 | -166.9 | -82.7 | 0 | 0 | 0 | 110.1 | C343 G347 C348 H365 T366 | C343-W345 PolarHBondContact O-N 2.78Å; C343-W345 VanDerWaalsContact SG-CB 3.56Å; W345-G347 PolarHBondContact O-N 3.03Å; W345-C348 HydrophobicContact CB-CB 3.99Å; W345-C348 WeakPolarHBondContact O-CB 3.2Å; W345-C348 PolarHBondContact O-N 3.42Å; W345-H365 AromaticContact CD1-CE1 3.54Å; W345-H365 AromaticContact CD1-CG 3.94Å; W345-H365 AromaticContact CD1-ND1 3.41Å; W345-H365 HydrophobicContact CD2-CB 3.43Å; W345-H365 VanDerWaalsContact CD2-CB 3.43Å; W345-H365 AromaticContact CD2-CD2 3.91Å; W345-H365 AromaticContact CD2-CG 3.4Å; W345-H365 AromaticContact CD2-ND1 3.66Å; W345-H365 AromaticContact CE2-CG 3.82Å; W345-H365 AromaticContact CE2-ND1 3.73Å; W345-H365 HydrophobicContact CE3-CB 3.36Å; W345-H365 AromaticContact CE3-CG 3.77Å; W345-H365 HydrophobicContact CG-CB 4.09Å; W345-H365 AromaticContact CG-CD2 3.64Å; W345-H365 AromaticContact CG-CE1 3.59Å; W345-H365 AromaticContact CG-CG 3.48Å; W345-H365 VanDerWaalsContact CG-CG 3.48Å; W345-H365 AromaticContact CG-ND1 3.44Å; W345-H365 AromaticContact CG-NE2 3.74Å; W345-H365 HydrophobicContact CH2-CB 3.81Å; W345-H365 HydrophobicContact CZ2-CB 3.9Å; W345-H365 HydrophobicContact CZ3-CB 3.55Å; W345-H365 AromaticContact NE1-ND1 3.59Å; W345-T366 HydrophobicContact CZ3-CG2 4.3Å |
| 346 | E | 88.6 | Confident | 87 | Confident | 175 Ų | 175 | 72.1 Ų | 72.1 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 127.7 | -178.4 | -67.3 | -61.2 | 153 | 0 | 0 | 111.8 | C348 | E346-C348 VanDerWaalsContact C-N 3.26Å; E346-C348 PolarHBondContact O-N 3.11Å |
| 347 | G | 84.4 | Confident | 87.3 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -3.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L62 W345 | L62-G347 WeakPolarHBondContact CD1-O 3.36Å; W345-G347 PolarHBondContact O-N 3.03Å |
| 348 | C | 86.3 | Confident | 87.6 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -56.4 | -177.3 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | C343 W345 E346 W350 H361 H365 | C343-C348 HydrophobicContact CB-CB 4.49Å; W345-C348 HydrophobicContact CB-CB 3.99Å; W345-C348 WeakPolarHBondContact O-CB 3.2Å; W345-C348 PolarHBondContact O-N 3.42Å; E346-C348 VanDerWaalsContact C-N 3.26Å; E346-C348 PolarHBondContact O-N 3.11Å; C348-W350 PolarHBondContact O-N 2.73Å; C348-H361 PolarHBondContact SG-CE1 2.93Å; C348-H361 PolarHBondContact SG-NE2 2.86Å; C348-H365 PolarHBondContact SG-CE1 3.44Å; C348-H365 PolarHBondContact SG-NE2 3.01Å |
| 349 | G | 86 | Confident | 87.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | trans | 63.8 | 6.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 350 | W | 86.3 | Confident | 87.9 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | trans | -70.7 | 140.5 | -179.2 | -79.3 | 70.1 | 0 | 0 | 0 | 111.9 | C343 C348 F352 H361 | C343-W350 HydrophobicContact CB-CB 4.41Å; C343-W350 PolarHBondContact N-O 3.1Å; C348-W350 PolarHBondContact O-N 2.73Å; W350-F352 HydrophobicContact CB-CE2 3.87Å; W350-F352 HydrophobicContact CB-CZ 3.92Å; W350-F352 HydrophobicContact CE3-CE1 4.46Å; W350-F352 HydrophobicContact CE3-CZ 4.22Å; W350-H361 AromaticContact CG-CE1 3.89Å | ||
| 351 | K | 89.2 | Confident | 88 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.2 | 178.8 | -50.2 | -173.6 | 179.6 | -179.4 | 0 | 111.7 | K339 Y341 C342 | K339-K351 HydrophobicContact CB-CB 3.61Å; K339-K351 HydrophobicContact CD-CB 4.07Å; K339-K351 WeakPolarHBondContact CD-O 3.33Å; K339-K351 HydrophobicContact CG-CB 4.44Å; Y341-K351 CarbonylContact O-C 3.46Å; Y341-K351 WeakPolarHBondContact O-CA 3.49Å; C342-K351 HydrophobicContact CB-CG 4.45Å |
| 352 | F | 87.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.127 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.6 | -173.8 | -57.7 | -82.1 | 0 | 0 | 0 | 111.7 | K339 Y341 W350 E357 L358 H361 | K339-F352 CarbonylContact C-O 3.34Å; K339-F352 VanDerWaalsContact C-O 3.29Å; K339-F352 VanDerWaalsContact CA-O 3.23Å; K339-F352 WeakPolarHBondContact CA-O 3.29Å; Y341-F352 WeakPolarHBondContact CB-O 3.48Å; Y341-F352 PolarHBondContact N-O 2.96Å; Y341-F352 VanDerWaalsContact N-O 3.11Å; Y341-F352 PolarHBondContact O-N 3.48Å; W350-F352 HydrophobicContact CB-CE2 3.87Å; W350-F352 HydrophobicContact CB-CZ 3.92Å; W350-F352 HydrophobicContact CE3-CE1 4.46Å; W350-F352 HydrophobicContact CE3-CZ 4.22Å; F352-E357 HydrophobicContact CB-CB 3.95Å; F352-E357 HydrophobicContact CD1-CB 3.78Å; F352-E357 HydrophobicContact CG-CB 4.06Å; F352-L358 HydrophobicContact CB-CB 4.37Å; F352-L358 HydrophobicContact CD2-CB 3.88Å; F352-L358 HydrophobicContact CD2-CD1 3.67Å; F352-L358 HydrophobicContact CD2-CG 4.4Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CG-CB 4.32Å; F352-H361 HydrophobicContact CE1-CB 4.06Å; F352-H361 HydrophobicContact CE2-CB 3.72Å; F352-H361 AromaticContact CE2-CD2 3.55Å; F352-H361 AromaticContact CE2-CG 3.55Å; F352-H361 HydrophobicContact CZ-CB 3.39Å; F352-H361 AromaticContact CZ-CD2 3.73Å; F352-H361 AromaticContact CZ-CG 3.25Å; F352-H361 AromaticContact CZ-ND1 3.49Å; F352-H361 WeakPolarHBondContact CZ-ND1 3.28Å |
| 353 | A | 87.1 | Confident | 87.9 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -83.6 | -18.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R333 Y341 E357 | R333-A353 HydrophobicContact CB-CB 4.11Å; R333-A353 WeakPolarHBondContact CD-O 3.35Å; R333-A353 PolarHBondContact NH1-O 3.33Å; Y341-A353 WeakPolarHBondContact CE2-O 3.37Å; A353-E357 PolarHBondContact N-OE2 2.98Å |
| 354 | R | 86.1 | Confident | 87.6 | Confident | 102 Ų | 102 | 70 Ų | 70 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -133 | 151.5 | -178.8 | -57.3 | 170.5 | 45.6 | 159.5 | -5.9 | 112.5 | A330 Y341 D356 E357 L358 | A330-R354 HydrophobicContact CB-CG 4.29Å; Y341-R354 VanDerWaalsContact CD2-CA 3.5Å; R354-D356 WeakPolarHBondContact CB-OD1 3.3Å; R354-D356 IonicContact CZ-OD1 3.68Å; R354-D356 IonicContact CZ-OD2 3.58Å; R354-D356 IonicContact NE-OD1 2.8Å; R354-D356 PolarHBondContact NE-OD1 2.92Å; R354-D356 IonicContact NE-OD2 3.08Å; R354-D356 IonicContact NH2-OD1 3.5Å; R354-D356 PolarHBondContact NH2-OD1 3.35Å; R354-D356 VanDerWaalsContact NH2-OD1 3.08Å; R354-D356 IonicContact NH2-OD2 3.36Å; R354-D356 PolarHBondContact NH2-OD2 3.34Å; R354-E357 HydrophobicContact CB-CB 4.44Å; R354-E357 HydrophobicContact CB-CG 4.02Å; R354-E357 WeakPolarHBondContact CD-OE1 3.38Å; R354-E357 PolarHBondContact N-OE2 3.36Å; R354-E357 WeakPolarHBondContact O-CB 3.4Å; R354-E357 PolarHBondContact O-N 3Å; R354-L358 PolarHBondContact O-N 2.92Å |
| 355 | S | 88.3 | Confident | 87.4 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 179.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | E357 L358 T359 | S355-E357 VanDerWaalsContact C-N 3.27Å; S355-E357 PolarHBondContact O-N 2.86Å; S355-L358 WeakPolarHBondContact O-CB 3.46Å; S355-L358 PolarHBondContact O-N 3.12Å; S355-T359 PolarHBondContact O-N 2.86Å; S355-T359 PolarHBondContact O-OG1 3.23Å; S355-T359 VanDerWaalsContact O-OG1 3.12Å |
| 356 | D | 86.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.5 | -29.7 | 178.6 | 62.1 | -57.6 | 0 | 0 | 0 | 112.7 | R354 R360 | R354-D356 WeakPolarHBondContact CB-OD1 3.3Å; R354-D356 IonicContact CZ-OD1 3.68Å; R354-D356 IonicContact CZ-OD2 3.58Å; R354-D356 IonicContact NE-OD1 2.8Å; R354-D356 PolarHBondContact NE-OD1 2.92Å; R354-D356 IonicContact NE-OD2 3.08Å; R354-D356 IonicContact NH2-OD1 3.5Å; R354-D356 PolarHBondContact NH2-OD1 3.35Å; R354-D356 VanDerWaalsContact NH2-OD1 3.08Å; R354-D356 IonicContact NH2-OD2 3.36Å; R354-D356 PolarHBondContact NH2-OD2 3.34Å; D356-R360 VanDerWaalsContact O-CB 3.31Å; D356-R360 WeakPolarHBondContact O-CB 3.41Å; D356-R360 PolarHBondContact O-N 3.16Å |
| 357 | E | 87.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 172 | -67 | 169.3 | 173.8 | 0 | 0 | 111 | F352 A353 R354 S355 R360 H361 | F352-E357 HydrophobicContact CB-CB 3.95Å; F352-E357 HydrophobicContact CD1-CB 3.78Å; F352-E357 HydrophobicContact CG-CB 4.06Å; A353-E357 PolarHBondContact N-OE2 2.98Å; R354-E357 HydrophobicContact CB-CB 4.44Å; R354-E357 HydrophobicContact CB-CG 4.02Å; R354-E357 WeakPolarHBondContact CD-OE1 3.38Å; R354-E357 PolarHBondContact N-OE2 3.36Å; R354-E357 WeakPolarHBondContact O-CB 3.4Å; R354-E357 PolarHBondContact O-N 3Å; S355-E357 VanDerWaalsContact C-N 3.27Å; S355-E357 PolarHBondContact O-N 2.86Å; E357-R360 PolarHBondContact O-N 3.35Å; E357-H361 WeakPolarHBondContact O-CB 3.33Å; E357-H361 PolarHBondContact O-N 3.25Å |
| 358 | L | 91 | Very high | 87.4 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.9 | 176.3 | 62.9 | 0 | 0 | 0 | 111.4 | C342 C343 F352 R354 S355 R360 H361 Y362 | C342-L358 WeakPolarHBondContact O-CD1 3.26Å; C342-L358 VanDerWaalsContact O-CD2 3.24Å; C342-L358 WeakPolarHBondContact O-CD2 3.49Å; C343-L358 HydrophobicContact CB-CD1 3.93Å; F352-L358 HydrophobicContact CB-CB 4.37Å; F352-L358 HydrophobicContact CD2-CB 3.88Å; F352-L358 HydrophobicContact CD2-CD1 3.67Å; F352-L358 HydrophobicContact CD2-CG 4.4Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CG-CB 4.32Å; R354-L358 PolarHBondContact O-N 2.92Å; S355-L358 WeakPolarHBondContact O-CB 3.46Å; S355-L358 PolarHBondContact O-N 3.12Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.22Å; L358-H361 CarbonylContact O-C 3.52Å; L358-H361 WeakPolarHBondContact O-CA 3.41Å; L358-H361 WeakPolarHBondContact O-CB 3.48Å; L358-H361 PolarHBondContact O-N 3.13Å; L358-Y362 HydrophobicContact CD1-CD2 3.69Å; L358-Y362 HydrophobicContact CD1-CE2 3.42Å; L358-Y362 VanDerWaalsContact CD1-CE2 3.42Å; L358-Y362 HydrophobicContact CD2-CE2 3.97Å; L358-Y362 HydrophobicContact CG-CD2 3.72Å; L358-Y362 HydrophobicContact CG-CE2 3.58Å; L358-Y362 WeakPolarHBondContact O-CD2 3.03Å; L358-Y362 PolarHBondContact O-N 3.23Å |
| 359 | T | 89.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | S355 H361 Y362 R363 | S355-T359 PolarHBondContact O-N 2.86Å; S355-T359 PolarHBondContact O-OG1 3.23Å; S355-T359 VanDerWaalsContact O-OG1 3.12Å; T359-H361 VanDerWaalsContact C-N 3.33Å; T359-Y362 PolarHBondContact O-N 3.23Å; T359-R363 PolarHBondContact O-N 2.87Å |
| 360 | R | 86.8 | Confident | 87.6 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.2 | 177.8 | 179.1 | 58.7 | 172.7 | -3.4 | 111.5 | D356 E357 L358 R363 | D356-R360 VanDerWaalsContact O-CB 3.31Å; D356-R360 WeakPolarHBondContact O-CB 3.41Å; D356-R360 PolarHBondContact O-N 3.16Å; E357-R360 PolarHBondContact O-N 3.35Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.22Å; R360-R363 WeakPolarHBondContact O-CB 3.33Å; R360-R363 PolarHBondContact O-N 3.48Å |
| 361 | H | 89 | Confident | 87.8 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.9 | 170.6 | 83.9 | 0 | 0 | 0 | 111.9 | C343 C348 W350 F352 E357 L358 T359 R363 K364 H365 | C343-H361 PolarHBondContact SG-CD2 3.32Å; C343-H361 PolarHBondContact SG-NE2 3.18Å; C343-H361 VanDerWaalsContact SG-NE2 3.36Å; C348-H361 PolarHBondContact SG-CE1 2.93Å; C348-H361 PolarHBondContact SG-NE2 2.86Å; W350-H361 AromaticContact CG-CE1 3.89Å; F352-H361 HydrophobicContact CE1-CB 4.06Å; F352-H361 HydrophobicContact CE2-CB 3.72Å; F352-H361 AromaticContact CE2-CD2 3.55Å; F352-H361 AromaticContact CE2-CG 3.55Å; F352-H361 HydrophobicContact CZ-CB 3.39Å; F352-H361 AromaticContact CZ-CD2 3.73Å; F352-H361 AromaticContact CZ-CG 3.25Å; F352-H361 AromaticContact CZ-ND1 3.49Å; F352-H361 WeakPolarHBondContact CZ-ND1 3.28Å; E357-H361 WeakPolarHBondContact O-CB 3.33Å; E357-H361 PolarHBondContact O-N 3.25Å; L358-H361 CarbonylContact O-C 3.52Å; L358-H361 WeakPolarHBondContact O-CA 3.41Å; L358-H361 WeakPolarHBondContact O-CB 3.48Å; L358-H361 PolarHBondContact O-N 3.13Å; T359-H361 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.44Å; H361-R363 VanDerWaalsContact O-N 3.17Å; H361-K364 WeakPolarHBondContact O-CB 3.32Å; H361-K364 WeakPolarHBondContact O-CG 3.26Å; H361-K364 PolarHBondContact O-N 3.42Å; H361-H365 AromaticContact CD2-NE2 3.89Å; H361-H365 AromaticContact CE1-NE2 3.8Å; H361-H365 AromaticContact NE2-CD2 3.94Å; H361-H365 AromaticContact NE2-NE2 3.19Å; H361-H365 PolarHBondContact NE2-NE2 3.46Å; H361-H365 VanDerWaalsContact NE2-NE2 3.19Å |
| 362 | Y | 87.3 | Confident | 87.9 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.3 | -31.4 | 175.2 | -92.7 | -72.2 | 0 | 0 | 0 | 113.9 | D344 L358 T359 K364 H365 T366 | D344-Y362 VanDerWaalsContact CB-OH 3.3Å; D344-Y362 WeakPolarHBondContact CB-OH 3.21Å; D344-Y362 PolarHBondContact N-OH 3.09Å; D344-Y362 PolarHBondContact OD2-OH 3.18Å; L358-Y362 HydrophobicContact CD1-CD2 3.69Å; L358-Y362 HydrophobicContact CD1-CE2 3.42Å; L358-Y362 VanDerWaalsContact CD1-CE2 3.42Å; L358-Y362 HydrophobicContact CD2-CE2 3.97Å; L358-Y362 HydrophobicContact CG-CD2 3.72Å; L358-Y362 HydrophobicContact CG-CE2 3.58Å; L358-Y362 WeakPolarHBondContact O-CD2 3.03Å; L358-Y362 PolarHBondContact O-N 3.23Å; T359-Y362 PolarHBondContact O-N 3.23Å; Y362-K364 PolarHBondContact O-N 3.39Å; Y362-H365 PolarHBondContact O-N 2.82Å; Y362-H365 VanDerWaalsContact O-N 3.1Å; Y362-T366 PolarHBondContact O-N 3.01Å; Y362-T366 VanDerWaalsContact O-N 3.14Å; Y362-T366 PolarHBondContact O-OG1 3.5Å |
| 363 | R | 89.5 | Confident | 88.1 | Confident | 69 Ų | 69 | 64.2 Ų | 64.2 | 26% | 0.26 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -20.3 | 174.3 | -65 | 178.7 | -173.4 | 167.1 | 2.7 | 113 | T359 R360 H361 G367 H368 S381 | T359-R363 PolarHBondContact O-N 2.87Å; R360-R363 WeakPolarHBondContact O-CB 3.33Å; R360-R363 PolarHBondContact O-N 3.48Å; H361-R363 PolarHBondContact O-N 3.44Å; H361-R363 VanDerWaalsContact O-N 3.17Å; R363-G367 CarbonylContact O-C 3.5Å; R363-G367 WeakPolarHBondContact O-CA 3.25Å; R363-G367 PolarHBondContact O-N 2.88Å; R363-H368 HydrophobicContact CG-CB 4.45Å; R363-H368 PolarHBondContact O-N 3.3Å; R363-S381 PolarHBondContact NH1-O 2.79Å |
| 364 | K | 84.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.5 | -40.1 | 174.1 | -57.2 | -172.3 | -179.9 | -160.9 | 0 | 111.2 | D54 S58 H361 Y362 | D54-K364 PolarHBondContact O-NZ 2.82Å; S58-K364 PolarHBondContact OG-NZ 3.21Å; H361-K364 WeakPolarHBondContact O-CB 3.32Å; H361-K364 WeakPolarHBondContact O-CG 3.26Å; H361-K364 PolarHBondContact O-N 3.42Å; Y362-K364 PolarHBondContact O-N 3.39Å |
| 365 | H | 86.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.6 | -42.5 | 177.5 | -65.2 | -57.9 | 0 | 0 | 0 | 112.4 | C343 W345 C348 H361 Y362 | C343-H365 PolarHBondContact SG-NE2 3.37Å; C343-H365 VanDerWaalsContact SG-NE2 3.39Å; W345-H365 AromaticContact CD1-CE1 3.54Å; W345-H365 AromaticContact CD1-CG 3.94Å; W345-H365 AromaticContact CD1-ND1 3.41Å; W345-H365 HydrophobicContact CD2-CB 3.43Å; W345-H365 VanDerWaalsContact CD2-CB 3.43Å; W345-H365 AromaticContact CD2-CD2 3.91Å; W345-H365 AromaticContact CD2-CG 3.4Å; W345-H365 AromaticContact CD2-ND1 3.66Å; W345-H365 AromaticContact CE2-CG 3.82Å; W345-H365 AromaticContact CE2-ND1 3.73Å; W345-H365 HydrophobicContact CE3-CB 3.36Å; W345-H365 AromaticContact CE3-CG 3.77Å; W345-H365 HydrophobicContact CG-CB 4.09Å; W345-H365 AromaticContact CG-CD2 3.64Å; W345-H365 AromaticContact CG-CE1 3.59Å; W345-H365 AromaticContact CG-CG 3.48Å; W345-H365 VanDerWaalsContact CG-CG 3.48Å; W345-H365 AromaticContact CG-ND1 3.44Å; W345-H365 AromaticContact CG-NE2 3.74Å; W345-H365 HydrophobicContact CH2-CB 3.81Å; W345-H365 HydrophobicContact CZ2-CB 3.9Å; W345-H365 HydrophobicContact CZ3-CB 3.55Å; W345-H365 AromaticContact NE1-ND1 3.59Å; C348-H365 PolarHBondContact SG-CE1 3.44Å; C348-H365 PolarHBondContact SG-NE2 3.01Å; H361-H365 AromaticContact CD2-NE2 3.89Å; H361-H365 AromaticContact CE1-NE2 3.8Å; H361-H365 AromaticContact NE2-CD2 3.94Å; H361-H365 AromaticContact NE2-NE2 3.19Å; H361-H365 PolarHBondContact NE2-NE2 3.46Å; H361-H365 VanDerWaalsContact NE2-NE2 3.19Å; Y362-H365 PolarHBondContact O-N 2.82Å; Y362-H365 VanDerWaalsContact O-N 3.1Å |
| 366 | T | 86.3 | Confident | 88.7 | Confident | 87 Ų | 87 | 68.5 Ų | 68.5 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -85.5 | -9.8 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | W345 Y362 H368 | W345-T366 HydrophobicContact CZ3-CG2 4.3Å; Y362-T366 PolarHBondContact O-N 3.01Å; Y362-T366 VanDerWaalsContact O-N 3.14Å; Y362-T366 PolarHBondContact O-OG1 3.5Å; T366-H368 PolarHBondContact O-N 2.98Å; T366-H368 VanDerWaalsContact O-N 3.11Å; T366-H368 WeakPolarHBondContact OG1-CB 3.36Å; T366-H368 PolarHBondContact OG1-N 3.43Å |
| 367 | G | 86.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 72 Ų | 72 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | trans | 62.5 | 12.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R363 R369 | R363-G367 CarbonylContact O-C 3.5Å; R363-G367 WeakPolarHBondContact O-CA 3.25Å; R363-G367 PolarHBondContact O-N 2.88Å; G367-R369 PolarHBondContact O-N 2.89Å | ||
| 368 | H | 87.8 | Confident | 88.8 | Confident | 101 Ų | 101 | 75 Ų | 75 | 47% | 0.468 | 38% | 0.384 | S | S | . | . | trans | -67.8 | 119.5 | -171.5 | -178.7 | -114.3 | 0 | 0 | 0 | 112.1 | R363 T366 P370 | R363-H368 HydrophobicContact CG-CB 4.45Å; R363-H368 PolarHBondContact O-N 3.3Å; T366-H368 PolarHBondContact O-N 2.98Å; T366-H368 VanDerWaalsContact O-N 3.11Å; T366-H368 WeakPolarHBondContact OG1-CB 3.36Å; T366-H368 PolarHBondContact OG1-N 3.43Å; H368-P370 WeakPolarHBondContact O-CD 3.3Å | ||
| 369 | R | 89.2 | Confident | 88.7 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 46% | 0.46 | 39% | 0.387 | S | S | . | . | trans | -123 | 82.5 | -176.3 | -72.4 | 173.3 | 133.9 | -161.4 | -3.9 | 111.3 | G367 F371 A379 F380 | G367-R369 PolarHBondContact O-N 2.89Å; R369-F371 VanDerWaalsContact C-N 3.26Å; R369-F371 PolarHBondContact O-N 2.85Å; R369-A379 HydrophobicContact CB-CB 3.83Å; R369-A379 PolarHBondContact NE-O 3.17Å; R369-A379 VanDerWaalsContact NE-O 3.07Å; R369-A379 PolarHBondContact NH1-O 3.28Å; R369-A379 VanDerWaalsContact NH1-O 3.12Å; R369-A379 PolarHBondContact NH2-O 2.74Å; R369-F380 CarbonylContact C-O 3.56Å; R369-F380 WeakPolarHBondContact CA-O 3.27Å | ||
| 370 | P | 87.8 | Confident | 88.6 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | trans | -75.3 | -10.6 | -174.3 | 28.2 | -32.7 | 0 | 0 | 0 | 114.2 | H368 | H368-P370 WeakPolarHBondContact O-CD 3.3Š| ||
| 371 | F | 89.9 | Confident | 88.7 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 92.3 | -173.9 | -59.2 | -75.3 | 0 | 0 | 0 | 111 | R369 A379 F380 L386 | R369-F371 VanDerWaalsContact C-N 3.26Å; R369-F371 PolarHBondContact O-N 2.85Å; F371-A379 CarbonylContact O-C 3.53Å; F371-A379 WeakPolarHBondContact O-CA 3.31Å; F371-F380 HydrophobicContact CB-CB 4.2Å; F371-F380 WeakPolarHBondContact CB-O 3.42Å; F371-F380 PolarHBondContact N-O 3.28Å; F371-F380 WeakPolarHBondContact O-CD2 3.34Å; F371-F380 PolarHBondContact O-N 3.12Å; F371-L386 HydrophobicContact CB-CB 4.21Å; F371-L386 HydrophobicContact CB-CD2 3.96Å |
| 372 | Q | 91.4 | Very high | 88.6 | Confident | 129 Ų | 129 | 70.3 Ų | 70.3 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.2 | 177.1 | -164.4 | 171.3 | 5.1 | 0 | 0 | 111.8 | ||
| 373 | C | 92.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | trans | -71.1 | 137.3 | 169.2 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | K375 C376 R378 F380 L386 M390 | C373-K375 PolarHBondContact SG-N 2.81Å; C373-C376 CarbonylContact C-O 3.29Å; C373-C376 VanDerWaalsContact CB-O 3.25Å; C373-C376 WeakPolarHBondContact CB-O 3.5Å; C373-C376 PolarHBondContact SG-N 3.48Å; C373-C376 PolarHBondContact SG-SG 3.44Å; C373-R378 WeakPolarHBondContact CB-O 3.37Å; C373-R378 PolarHBondContact N-O 3.35Å; C373-F380 HydrophobicContact CB-CE2 4.35Å; C373-L386 HydrophobicContact CB-CD1 3.99Å; C373-M390 HydrophobicContact CB-CE 3.74Å; C373-M390 WeakPolarHBondContact SG-CE 3.32Å | ||
| 374 | A | 91.9 | Very high | 88.7 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 88% | 0.876 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -82.6 | -16.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 375 | K | 89.8 | Confident | 89 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -102.4 | -15.9 | -176.8 | -67.3 | -176.7 | 173.6 | -178.1 | 0 | 113.6 | C373 H393 | C373-K375 PolarHBondContact SG-N 2.81Å; K375-H393 HydrophobicContact CD-CB 3.4Å; K375-H393 VanDerWaalsContact CD-CB 3.4Å; K375-H393 PolarHBondContact NZ-O 3.23Å |
| 376 | C | 92.4 | Very high | 89.2 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -153.2 | 166.5 | 175.2 | 70.8 | 0 | 0 | 0 | 0 | 110.2 | C373 R378 H389 | C373-C376 CarbonylContact C-O 3.29Å; C373-C376 VanDerWaalsContact CB-O 3.25Å; C373-C376 WeakPolarHBondContact CB-O 3.5Å; C373-C376 PolarHBondContact SG-N 3.48Å; C373-C376 PolarHBondContact SG-SG 3.44Å; C376-R378 PolarHBondContact O-N 2.91Å; C376-H389 PolarHBondContact SG-NE2 2.88Å |
| 377 | D | 89.5 | Confident | 89.4 | Confident | 152 Ų | 152 | 68.1 Ų | 68.1 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.5 | 10.8 | -174.6 | -57.7 | -44.4 | 0 | 0 | 0 | 114.6 | A379 | D377-A379 PolarHBondContact O-N 3.43Š|
| 378 | R | 87.3 | Confident | 89.6 | Confident | 114 Ų | 114 | 70.9 Ų | 70.9 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | trans | -74.5 | 126.9 | 178.5 | -68.1 | -174 | -178.1 | -172.6 | 0.3 | 110.6 | D49 C373 C376 F380 | D49-R378 IonicContact OD2-NH1 3.01Å; D49-R378 PolarHBondContact OD2-NH1 3.03Å; C373-R378 WeakPolarHBondContact CB-O 3.37Å; C373-R378 PolarHBondContact N-O 3.35Å; C376-R378 PolarHBondContact O-N 2.91Å; R378-F380 HydrophobicContact CB-CE2 3.91Å; R378-F380 HydrophobicContact CB-CZ 3.92Å | ||
| 379 | A | 88.4 | Confident | 89.7 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 151.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | R369 F371 D377 | R369-A379 HydrophobicContact CB-CB 3.83Å; R369-A379 PolarHBondContact NE-O 3.17Å; R369-A379 VanDerWaalsContact NE-O 3.07Å; R369-A379 PolarHBondContact NH1-O 3.28Å; R369-A379 VanDerWaalsContact NH1-O 3.12Å; R369-A379 PolarHBondContact NH2-O 2.74Å; F371-A379 CarbonylContact O-C 3.53Å; F371-A379 WeakPolarHBondContact O-CA 3.31Å; D377-A379 PolarHBondContact O-N 3.43Å |
| 380 | F | 88.1 | Confident | 89.8 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.9 | -173.9 | -58.1 | -90.8 | 0 | 0 | 0 | 110.8 | L51 R369 F371 C373 R378 R382 H385 L386 H389 | L51-F380 HydrophobicContact CD1-CD1 4.44Å; L51-F380 HydrophobicContact CD1-CE1 3.57Å; L51-F380 HydrophobicContact CD1-CZ 4.36Å; L51-F380 HydrophobicContact CD2-CD1 3.77Å; L51-F380 HydrophobicContact CD2-CE1 3.57Å; L51-F380 HydrophobicContact CG-CE1 4.2Å; R369-F380 CarbonylContact C-O 3.56Å; R369-F380 WeakPolarHBondContact CA-O 3.27Å; F371-F380 HydrophobicContact CB-CB 4.2Å; F371-F380 WeakPolarHBondContact CB-O 3.42Å; F371-F380 PolarHBondContact N-O 3.28Å; F371-F380 WeakPolarHBondContact O-CD2 3.34Å; F371-F380 PolarHBondContact O-N 3.12Å; C373-F380 HydrophobicContact CB-CE2 4.35Å; R378-F380 HydrophobicContact CB-CE2 3.91Å; R378-F380 HydrophobicContact CB-CZ 3.92Å; F380-R382 VanDerWaalsContact C-N 3.3Å; F380-H385 HydrophobicContact CB-CB 4.31Å; F380-H385 HydrophobicContact CD1-CB 3.87Å; F380-H385 HydrophobicContact CG-CB 4.38Å; F380-L386 HydrophobicContact CB-CB 4.32Å; F380-L386 HydrophobicContact CD2-CB 3.88Å; F380-L386 HydrophobicContact CD2-CD1 3.7Å; F380-L386 HydrophobicContact CD2-CG 4.39Å; F380-L386 HydrophobicContact CE2-CD1 3.84Å; F380-L386 HydrophobicContact CG-CB 4.2Å; F380-H389 HydrophobicContact CE1-CB 3.9Å; F380-H389 HydrophobicContact CE2-CB 4Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.39Å; F380-H389 AromaticContact CE2-CG 3.76Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.3Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.38Å; F380-H389 AromaticContact CZ-CG 3.23Å; F380-H389 AromaticContact CZ-ND1 3.85Å; F380-H389 AromaticContact CZ-NE2 3.96Å |
| 381 | S | 87.2 | Confident | 90 | Very high | 37 Ų | 37 | 67 Ų | 67 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -79.6 | -14.7 | 175.5 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | R363 | R363-S381 PolarHBondContact NH1-O 2.79Š|
| 382 | R | 87.9 | Confident | 90 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -138 | 146.8 | -178.1 | -55.7 | 158.2 | 55.9 | 168.3 | -5.8 | 111.9 | D54 F380 D384 H385 L386 | D54-R382 IonicContact OD2-NH1 3.75Å; F380-R382 VanDerWaalsContact C-N 3.3Å; R382-D384 WeakPolarHBondContact CB-OD1 3.41Å; R382-D384 IonicContact CZ-OD1 2.67Å; R382-D384 IonicContact CZ-OD2 3.43Å; R382-D384 IonicContact NE-OD1 3.42Å; R382-D384 PolarHBondContact NE-OD1 3.45Å; R382-D384 IonicContact NE-OD2 3.02Å; R382-D384 PolarHBondContact NE-OD2 3.09Å; R382-D384 IonicContact NH2-OD1 3.63Å; R382-D384 IonicContact NH2-OD2 2.69Å; R382-D384 PolarHBondContact NH2-OD2 3.26Å; R382-H385 HydrophobicContact CB-CB 4.48Å; R382-H385 PolarHBondContact NE-NE2 3.31Å; R382-H385 PolarHBondContact NH1-NE2 3.33Å; R382-H385 PolarHBondContact O-N 3.45Å; R382-L386 PolarHBondContact O-N 3.22Å |
| 383 | S | 90.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.6 | -31.9 | -178.7 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | H385 L386 A387 | S383-H385 VanDerWaalsContact C-N 3.34Å; S383-L386 PolarHBondContact O-N 3.34Å; S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.84Å |
| 384 | D | 89.1 | Confident | 89.4 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 176.5 | 61.3 | -40.9 | 0 | 0 | 0 | 111.8 | R382 A387 L388 | R382-D384 WeakPolarHBondContact CB-OD1 3.41Å; R382-D384 IonicContact CZ-OD1 2.67Å; R382-D384 IonicContact CZ-OD2 3.43Å; R382-D384 IonicContact NE-OD1 3.42Å; R382-D384 PolarHBondContact NE-OD1 3.45Å; R382-D384 IonicContact NE-OD2 3.02Å; R382-D384 PolarHBondContact NE-OD2 3.09Å; R382-D384 IonicContact NH2-OD1 3.63Å; R382-D384 IonicContact NH2-OD2 2.69Å; R382-D384 PolarHBondContact NH2-OD2 3.26Å; D384-A387 PolarHBondContact O-N 3.19Å; D384-L388 WeakPolarHBondContact O-CG 3.31Å; D384-L388 PolarHBondContact O-N 3.12Å |
| 385 | H | 89 | Confident | 89.2 | Confident | 33 Ų | 33 | 74 Ų | 74 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 173.2 | -67.7 | -159 | 0 | 0 | 0 | 111.1 | L51 F380 R382 S383 A387 L388 H389 | L51-H385 HydrophobicContact CD2-CB 4.33Å; F380-H385 HydrophobicContact CB-CB 4.31Å; F380-H385 HydrophobicContact CD1-CB 3.87Å; F380-H385 HydrophobicContact CG-CB 4.38Å; R382-H385 HydrophobicContact CB-CB 4.48Å; R382-H385 PolarHBondContact NE-NE2 3.31Å; R382-H385 PolarHBondContact NH1-NE2 3.33Å; R382-H385 PolarHBondContact O-N 3.45Å; S383-H385 VanDerWaalsContact C-N 3.34Å; H385-A387 VanDerWaalsContact C-N 3.35Å; H385-A387 PolarHBondContact O-N 3.39Å; H385-L388 PolarHBondContact O-N 2.95Å; H385-H389 VanDerWaalsContact O-CB 3.32Å; H385-H389 WeakPolarHBondContact O-CB 3.47Å; H385-H389 PolarHBondContact O-N 2.89Å |
| 386 | L | 90.6 | Very high | 89.2 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 172.3 | 174 | 64.3 | 0 | 0 | 0 | 111 | F371 C373 F380 R382 S383 L388 H389 M390 | F371-L386 HydrophobicContact CB-CB 4.21Å; F371-L386 HydrophobicContact CB-CD2 3.96Å; C373-L386 HydrophobicContact CB-CD1 3.99Å; F380-L386 HydrophobicContact CB-CB 4.32Å; F380-L386 HydrophobicContact CD2-CB 3.88Å; F380-L386 HydrophobicContact CD2-CD1 3.7Å; F380-L386 HydrophobicContact CD2-CG 4.39Å; F380-L386 HydrophobicContact CE2-CD1 3.84Å; F380-L386 HydrophobicContact CG-CB 4.2Å; R382-L386 PolarHBondContact O-N 3.22Å; S383-L386 PolarHBondContact O-N 3.34Å; L386-L388 PolarHBondContact O-N 3.17Å; L386-H389 CarbonylContact O-C 3.49Å; L386-H389 WeakPolarHBondContact O-CB 3.39Å; L386-H389 PolarHBondContact O-N 3.1Å; L386-M390 HydrophobicContact CD1-CE 3.51Å; L386-M390 HydrophobicContact CD1-CG 4.28Å; L386-M390 HydrophobicContact CD1-SD 4.29Å; L386-M390 HydrophobicContact CG-CG 4.39Å; L386-M390 WeakPolarHBondContact O-CG 3.32Å; L386-M390 PolarHBondContact O-N 2.76Å |
| 387 | A | 90.7 | Very high | 89 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S383 D384 H385 M390 | S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.84Å; D384-A387 PolarHBondContact O-N 3.19Å; H385-A387 VanDerWaalsContact C-N 3.35Å; H385-A387 PolarHBondContact O-N 3.39Å; A387-M390 PolarHBondContact O-N 3.48Å |
| 388 | L | 91 | Very high | 89 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 172.3 | -72.3 | 173.6 | 0 | 0 | 0 | 111.3 | D384 H385 L386 M390 K391 | D384-L388 WeakPolarHBondContact O-CG 3.31Å; D384-L388 PolarHBondContact O-N 3.12Å; H385-L388 PolarHBondContact O-N 2.95Å; L386-L388 PolarHBondContact O-N 3.17Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.4Å; L388-K391 HydrophobicContact CD2-CD 4.46Å; L388-K391 WeakPolarHBondContact O-CB 3.35Å; L388-K391 PolarHBondContact O-N 3.37Å; L388-K391 VanDerWaalsContact O-N 3.16Å |
| 389 | H | 89.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 6% | 0.06 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 175.5 | 173.9 | 64.2 | 0 | 0 | 0 | 112.4 | C376 F380 H385 L386 K391 R392 H393 | C376-H389 PolarHBondContact SG-NE2 2.88Å; F380-H389 HydrophobicContact CE1-CB 3.9Å; F380-H389 HydrophobicContact CE2-CB 4Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.39Å; F380-H389 AromaticContact CE2-CG 3.76Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.3Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.38Å; F380-H389 AromaticContact CZ-CG 3.23Å; F380-H389 AromaticContact CZ-ND1 3.85Å; F380-H389 AromaticContact CZ-NE2 3.96Å; H385-H389 VanDerWaalsContact O-CB 3.32Å; H385-H389 WeakPolarHBondContact O-CB 3.47Å; H385-H389 PolarHBondContact O-N 2.89Å; L386-H389 CarbonylContact O-C 3.49Å; L386-H389 WeakPolarHBondContact O-CB 3.39Å; L386-H389 PolarHBondContact O-N 3.1Å; H389-K391 PolarHBondContact O-N 3.33Å; H389-K391 VanDerWaalsContact O-N 3.14Å; H389-R392 WeakPolarHBondContact O-CB 3.12Å; H389-R392 PolarHBondContact O-N 2.99Å; H389-H393 AromaticContact CD2-NE2 3.78Å; H389-H393 AromaticContact CE1-CD2 3.98Å; H389-H393 AromaticContact CE1-NE2 3.26Å; H389-H393 PolarHBondContact CE1-NE2 2.97Å; H389-H393 VanDerWaalsContact CE1-NE2 3.26Å; H389-H393 AromaticContact NE2-CD2 3.67Å; H389-H393 AromaticContact NE2-NE2 2.92Å; H389-H393 PolarHBondContact NE2-NE2 3.15Å |
| 390 | M | 90.3 | Very high | 89.2 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.2 | -28.3 | 177.7 | -74.6 | -52.2 | 87.8 | 0 | 0 | 112.5 | C373 L386 A387 L388 R392 H393 | C373-M390 HydrophobicContact CB-CE 3.74Å; C373-M390 WeakPolarHBondContact SG-CE 3.32Å; L386-M390 HydrophobicContact CD1-CE 3.51Å; L386-M390 HydrophobicContact CD1-CG 4.28Å; L386-M390 HydrophobicContact CD1-SD 4.29Å; L386-M390 HydrophobicContact CG-CG 4.39Å; L386-M390 WeakPolarHBondContact O-CG 3.32Å; L386-M390 PolarHBondContact O-N 2.76Å; A387-M390 PolarHBondContact O-N 3.48Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.4Å; M390-R392 PolarHBondContact O-N 3.31Å; M390-H393 PolarHBondContact O-N 3.43Å; M390-H393 VanDerWaalsContact O-N 3.14Å |
| 391 | K | 92.7 | Very high | 89.2 | Confident | 137 Ų | 137 | 73.5 Ų | 73.5 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -66.9 | -19.9 | 175.8 | -59.9 | 179.4 | -179.7 | -179.3 | 0 | 113.6 | L388 H389 H393 | L388-K391 HydrophobicContact CD2-CD 4.46Å; L388-K391 WeakPolarHBondContact O-CB 3.35Å; L388-K391 PolarHBondContact O-N 3.37Å; L388-K391 VanDerWaalsContact O-N 3.16Å; H389-K391 PolarHBondContact O-N 3.33Å; H389-K391 VanDerWaalsContact O-N 3.14Å; K391-H393 VanDerWaalsContact C-N 3.26Å |
| 392 | R | 90.3 | Very high | 89.4 | Confident | 129 Ų | 129 | 76.3 Ų | 76.3 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -78.6 | -13.7 | 175.7 | -58.9 | 177.8 | 76.5 | 153.6 | 4.4 | 112.5 | D47 D49 H389 M390 | D47-R392 IonicContact OD2-NH2 2.85Å; D47-R392 PolarHBondContact OD2-NH2 3.25Å; D49-R392 IonicContact OD1-CZ 3.58Å; D49-R392 IonicContact OD1-NH1 2.61Å; D49-R392 PolarHBondContact OD1-NH1 3.48Å; D49-R392 IonicContact OD1-NH2 3.67Å; D49-R392 IonicContact OD2-CZ 3.75Å; D49-R392 IonicContact OD2-NH1 2.89Å; D49-R392 PolarHBondContact OD2-NH1 2.94Å; H389-R392 WeakPolarHBondContact O-CB 3.12Å; H389-R392 PolarHBondContact O-N 2.99Å; M390-R392 PolarHBondContact O-N 3.31Å |
| 393 | H | 86.3 | Confident | 89.5 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -104.4 | 4.3 | 177.7 | -62.6 | -80.1 | 0 | 0 | 0 | 113.3 | K375 H389 M390 K391 | K375-H393 HydrophobicContact CD-CB 3.4Å; K375-H393 VanDerWaalsContact CD-CB 3.4Å; K375-H393 PolarHBondContact NZ-O 3.23Å; H389-H393 AromaticContact CD2-NE2 3.78Å; H389-H393 AromaticContact CE1-CD2 3.98Å; H389-H393 AromaticContact CE1-NE2 3.26Å; H389-H393 PolarHBondContact CE1-NE2 2.97Å; H389-H393 VanDerWaalsContact CE1-NE2 3.26Å; H389-H393 AromaticContact NE2-CD2 3.67Å; H389-H393 AromaticContact NE2-NE2 2.92Å; H389-H393 PolarHBondContact NE2-NE2 3.15Å; M390-H393 PolarHBondContact O-N 3.43Å; M390-H393 VanDerWaalsContact O-N 3.14Å; K391-H393 VanDerWaalsContact C-N 3.26Å |
| 394 | L | 84.6 | Confident | 89.5 | Confident | 189 Ų | 189 | 79 Ų | 79 | 99% | 0.99 | 39% | 0.394 | S | S | * | . | trans | -99.4 | 0 | 170.5 | -64.6 | 175.3 | 0 | 0 | 0 | 107 |
Retrieved 394 of 394 residues in 318.1 ms
(Link to these results)