| 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 | 40.4 | Very low | 46.5 | Very low | 234 Ų | 234 | 145.6 Ų | 145.6 | 100% | 1.153 | 83% | 0.83 | S | S | * | * | 0 | 122.1 | 0 | -77.5 | 172.1 | 173.4 | 0 | 0 | 107.5 | |||||
| 2 | F | 40.7 | Very low | 46.1 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 39 | 115.2 | 171.2 | -59 | -78.2 | 0 | 0 | 0 | 120.2 | ||||
| 3 | C | 42.3 | Very low | 46 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | -162.6 | 134 | 120.8 | -98.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 4 | T | 48.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | trans | -91.3 | 155.6 | -165.9 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 5 | S | 40.2 | Very low | 45.4 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -42 | 144.9 | 167.9 | 179.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | N | 54.6 | Low | 45.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -142 | 111.5 | 150.6 | -87.8 | -23.2 | 0 | 0 | 0 | 108.6 | ||||
| 7 | E | 46.2 | Very low | 45.5 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -105.3 | 135.7 | 161.4 | -107.7 | -127.9 | 120.3 | 0 | 0 | 108.3 | ||||
| 8 | P | 54.6 | Low | 44.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -96.7 | 113.4 | 169.2 | 32.2 | -25.6 | 0 | 0 | 0 | 111.5 | ||||
| 9 | T | 50.7 | Low | 44.8 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 121 | 165 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 10 | S | 45.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -93.4 | 107.2 | 172 | -66.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 11 | T | 48 | Very low | 44.6 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 119 | 167.4 | -55.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 12 | V | 41 | Very low | 45 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -102.3 | 109.2 | 170.1 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | S | 45.9 | Very low | 45.1 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 127.8 | 171.5 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | L | 38.3 | Very low | 45.1 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 118.2 | 168.7 | -118.5 | 112 | 0 | 0 | 0 | 109 | ||||
| 15 | V | 44.8 | Very low | 45 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 66% | 0.655 | 79% | 0.792 | S | S | * | * | trans | -111.1 | 112 | 165.8 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 16 | T | 43 | Very low | 44.9 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 109.1 | 172.3 | 28.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | H | 48.2 | Very low | 44.5 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -93.5 | 117.9 | 164.1 | -80.4 | -79.9 | 0 | 0 | 0 | 109.7 | ||||
| 18 | G | 33.6 | Very low | 44.4 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -78 | 131.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 19 | A | 44.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -125.2 | 114.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 20 | T | 41.7 | Very low | 43 | Very low | 151 Ų | 151 | 132 Ų | 132 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 124.5 | 173.7 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 21 | G | 45.4 | Very low | 42.5 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -133.3 | 123.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | Q | 47.6 | Very low | 42.2 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 158.3 | -171.5 | -63.1 | 174.8 | 4 | 0 | 0 | 113 | ||||
| 23 | F | 43.5 | Very low | 42 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 78.1 | 110.2 | 165.4 | -58.9 | -78.1 | 0 | 0 | 0 | 118.6 | ||||
| 24 | G | 41.6 | Very low | 41.8 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 158.4 | 75 | 164 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 25 | T | 45.7 | Very low | 42 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 26.8 | 124.1 | 157.6 | 57.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 26 | P | 39.6 | Very low | 41.6 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133.8 | 178.8 | 33.2 | -32.3 | 0 | 0 | 0 | 112.9 | ||
| 27 | V | 45.8 | Very low | 41.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 119.8 | 165.1 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | L29 | V27-L29 PolarHBondContact O-N 3.32Š|
| 28 | R | 44.3 | Very low | 40.9 | Very low | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 122.3 | 175.4 | -88.7 | -170.3 | 177.4 | 167.7 | -0.5 | 111.1 | ||
| 29 | L | 35.7 | Very low | 41.3 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 117.5 | 154.4 | -91.4 | 98.9 | 0 | 0 | 0 | 109.1 | V27 | V27-L29 PolarHBondContact O-N 3.32Š|
| 30 | C | 40.1 | Very low | 41.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 107.9 | 163.1 | -44.5 | 0 | 0 | 0 | 0 | 107.3 | S32 | C30-S32 PolarHBondContact O-N 3.32Š| ||
| 31 | H | 34.9 | Very low | 41.4 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | trans | -75.8 | 118.5 | 166.2 | -69.4 | 97.3 | 0 | 0 | 0 | 108.6 | ||||
| 32 | S | 42 | Very low | 41.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -120.5 | 108.9 | 161 | 47.7 | 0 | 0 | 0 | 0 | 108 | C30 M34 | C30-S32 PolarHBondContact O-N 3.32Å; S32-M34 PolarHBondContact O-N 3.5Å | ||
| 33 | N | 37.2 | Very low | 41.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -51.2 | 122 | 167.1 | -86.3 | -18.9 | 0 | 0 | 0 | 109.8 | ||||
| 34 | M | 41.3 | Very low | 41.1 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -118.7 | 106.7 | 156.3 | -74.4 | -164.5 | 74.8 | 0 | 0 | 108.6 | S32 | S32-M34 PolarHBondContact O-N 3.5Š| ||
| 35 | S | 42.3 | Very low | 41.1 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -56.7 | 139.7 | 171.5 | -31.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | N | 37 | Very low | 41.1 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | 21.5 | 107.6 | 152.8 | -72.7 | -10.7 | 0 | 0 | 0 | 118.4 | ||||
| 37 | A | 35.7 | Very low | 41.6 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -138.2 | 93.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A39 | A37-A39 PolarHBondContact O-N 2.83Š| ||
| 38 | A | 39 | Very low | 41.9 | Very low | 110 Ų | 110 | 146 Ų | 146 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 110.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 39 | A | 42.4 | Very low | 41.9 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -150 | 100 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A37 | A37-A39 PolarHBondContact O-N 2.83Š| ||
| 40 | S | 43.7 | Very low | 42.9 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | 44 | 107.8 | 148.2 | 64.6 | 0 | 0 | 0 | 0 | 118.9 | V42 | S40-V42 PolarHBondContact O-N 3.36Š| ||
| 41 | N | 44.7 | Very low | 43.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 79.1 | 156.5 | -160.7 | -21.8 | 0 | 0 | 0 | 109.2 | K43 | N41-K43 PolarHBondContact O-N 3.07Š| ||
| 42 | V | 43.3 | Very low | 43.8 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | trans | -80.1 | 99.2 | 169.3 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | S40 T44 | S40-V42 PolarHBondContact O-N 3.36Å; V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 2.88Å | ||
| 43 | K | 47 | Very low | 43.8 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -50.9 | 101.1 | 160.9 | -173.2 | 81.1 | 164.3 | -167.9 | 0 | 107.3 | N41 R45 | N41-K43 PolarHBondContact O-N 3.07Å; K43-R45 VanDerWaalsContact C-N 3.28Å; K43-R45 PolarHBondContact O-N 3.41Å | ||
| 44 | T | 40.6 | Very low | 44 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -61.2 | 97.1 | 172.2 | -40.8 | 0 | 0 | 0 | 0 | 107.2 | V42 R46 | V42-T44 VanDerWaalsContact C-N 3.34Å; V42-T44 PolarHBondContact O-N 2.88Å; T44-R46 VanDerWaalsContact C-N 3.33Å; T44-R46 PolarHBondContact O-N 3.29Å | ||
| 45 | R | 40 | Very low | 44.2 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -65.4 | 100.4 | 168.7 | -145.6 | -178.4 | -158.5 | -156.5 | 6.3 | 104.2 | K43 T47 | K43-R45 VanDerWaalsContact C-N 3.28Å; K43-R45 PolarHBondContact O-N 3.41Å; R45-T47 PolarHBondContact O-N 3.22Å | ||
| 46 | R | 46.4 | Very low | 44.4 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -56.8 | 105.7 | 169.6 | -72.7 | -178.6 | 178.8 | 151.8 | -0.4 | 106.4 | T44 V48 | T44-R46 VanDerWaalsContact C-N 3.33Å; T44-R46 PolarHBondContact O-N 3.29Å; R46-V48 PolarHBondContact O-N 3.42Å | ||
| 47 | T | 49.7 | Very low | 44.7 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -60 | 108.7 | 167.2 | 42.9 | 0 | 0 | 0 | 0 | 106.4 | R45 D49 | R45-T47 PolarHBondContact O-N 3.22Å; T47-D49 PolarHBondContact O-N 3.39Å; T47-D49 VanDerWaalsContact O-N 3.16Å | ||
| 48 | V | 52.5 | Low | 45.4 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -70 | 109.2 | 174.4 | 177 | 0 | 0 | 0 | 0 | 106.3 | R46 P50 | R46-V48 PolarHBondContact O-N 3.42Å; V48-P50 WeakPolarHBondContact O-CD 3.42Å | ||
| 49 | D | 43.8 | Very low | 47 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 48% | 0.476 | 74% | 0.742 | S | S | . | * | trans | -57 | 116.3 | 171.6 | -177.9 | -10.1 | 0 | 0 | 0 | 109.5 | T47 S51 R52 | T47-D49 PolarHBondContact O-N 3.39Å; T47-D49 VanDerWaalsContact O-N 3.16Å; D49-S51 VanDerWaalsContact CG-OG 3.23Å; D49-S51 PolarHBondContact O-N 3.37Å; D49-S51 WeakPolarHBondContact OD1-CB 3.24Å; D49-S51 PolarHBondContact OD1-N 3.15Å; D49-S51 PolarHBondContact OD1-OG 3.2Å; D49-S51 PolarHBondContact OD2-OG 2.99Å; D49-R52 PolarHBondContact O-N 3.37Å | ||
| 50 | P | 57.4 | Low | 48 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -10.8 | -178.9 | 27.4 | -32.9 | 0 | 0 | 0 | 113.4 | V48 | V48-P50 WeakPolarHBondContact O-CD 3.42Š|
| 51 | S | 55 | Low | 49.1 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -4.4 | 177.4 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | D49 | D49-S51 VanDerWaalsContact CG-OG 3.23Å; D49-S51 PolarHBondContact O-N 3.37Å; D49-S51 WeakPolarHBondContact OD1-CB 3.24Å; D49-S51 PolarHBondContact OD1-N 3.15Å; D49-S51 PolarHBondContact OD1-OG 3.2Å; D49-S51 PolarHBondContact OD2-OG 2.99Å |
| 52 | R | 38.9 | Very low | 50.2 | Low | 199 Ų | 199 | 135.4 Ų | 135.4 | 75% | 0.751 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -80.2 | 123.2 | 176.3 | -161 | 170.3 | -159.3 | -114.9 | 2.8 | 110 | D49 K54 | D49-R52 PolarHBondContact O-N 3.37Å; R52-K54 PolarHBondContact O-N 3.3Å |
| 53 | P | 42.2 | Very low | 51.3 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -57 | 118.7 | 175.8 | 20.9 | -30 | 0 | 0 | 0 | 108.9 | A55 | P53-A55 PolarHBondContact O-N 3.42Š| ||
| 54 | K | 41.8 | Very low | 52 | Low | 194 Ų | 194 | 125.1 Ų | 125.1 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | trans | -57 | 110.3 | 177.1 | -69.5 | 171.7 | -176.8 | 167.1 | 0 | 107 | R52 F56 | R52-K54 PolarHBondContact O-N 3.3Å; K54-F56 PolarHBondContact O-N 3.01Å | ||
| 55 | A | 44.1 | Very low | 53.4 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 76% | 0.76 | 64% | 0.644 | S | S | * | * | trans | -52.1 | 119.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | P53 S57 | P53-A55 PolarHBondContact O-N 3.42Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 3.06Å | ||
| 56 | F | 46.8 | Very low | 54.7 | Low | 199 Ų | 199 | 119.2 Ų | 119.2 | 87% | 0.873 | 63% | 0.63 | S | S | * | * | trans | -56.6 | 91.8 | -178.6 | -87.1 | -93.2 | 0 | 0 | 0 | 109.6 | K54 Y58 | K54-F56 PolarHBondContact O-N 3.01Å; F56-Y58 VanDerWaalsContact C-N 3.34Å; F56-Y58 VanDerWaalsContact O-CD1 3.3Å; F56-Y58 WeakPolarHBondContact O-CD1 3.46Å; F56-Y58 PolarHBondContact O-N 3.4Å; F56-Y58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | S | 44.1 | Very low | 54.9 | Low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | trans | -77.9 | 90.3 | 168.8 | 167.9 | 0 | 0 | 0 | 0 | 107.1 | A55 S59 | A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 3.06Å; S57-S59 PolarHBondContact O-N 2.88Å; S57-S59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | Y | 50.6 | Low | 55.2 | Low | 151 Ų | 151 | 111.2 Ų | 111.2 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | trans | -71.5 | 104.3 | 171.4 | 44.5 | -91.2 | 0 | 0 | 0 | 109.4 | F56 I63 | F56-Y58 VanDerWaalsContact C-N 3.34Å; F56-Y58 VanDerWaalsContact O-CD1 3.3Å; F56-Y58 WeakPolarHBondContact O-CD1 3.46Å; F56-Y58 PolarHBondContact O-N 3.4Å; F56-Y58 VanDerWaalsContact O-N 3.11Å; Y58-I63 HydrophobicContact CD2-CD1 3.81Å; Y58-I63 HydrophobicContact CG-CD1 4.11Å | ||
| 59 | S | 72 | Confident | 55.2 | Low | 60 Ų | 60 | 108.7 Ų | 108.7 | 42% | 0.42 | 57% | 0.574 | S | S | . | * | trans | -65.6 | 141.9 | 158.1 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | S57 Q61 S62 I63 | S57-S59 PolarHBondContact O-N 2.88Å; S57-S59 VanDerWaalsContact O-N 3.14Å; S59-Q61 PolarHBondContact O-N 3.19Å; S59-Q61 VanDerWaalsContact O-N 3.09Å; S59-Q61 PolarHBondContact OG-N 3.42Å; S59-S62 WeakPolarHBondContact O-CA 3.49Å; S59-S62 VanDerWaalsContact O-CB 3.29Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.03Å; S59-I63 PolarHBondContact O-N 3.48Å | ||
| 60 | I | 63.8 | Low | 55.7 | Low | 54 Ų | 54 | 110.2 Ų | 110.2 | 28% | 0.277 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -51.3 | -36.8 | 175.1 | -67 | -177.7 | 0 | 0 | 0 | 110.3 | S62 I63 L64 E222 | I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.33Å; I60-I63 PolarHBondContact O-N 3.04Å; I60-L64 HydrophobicContact CG2-CD1 3.91Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CG 3.32Å; I60-L64 PolarHBondContact O-N 2.97Å; I60-E222 VanDerWaalsContact CG2-OE1 3.24Å; I60-E222 WeakPolarHBondContact CG2-OE1 3.31Å |
| 61 | Q | 65.9 | Low | 55.1 | Low | 152 Ų | 152 | 109.4 Ų | 109.4 | 71% | 0.71 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -36.7 | 176.5 | -68.7 | 175 | -10.9 | 0 | 0 | 113.2 | S59 I63 L64 N65 | S59-Q61 PolarHBondContact O-N 3.19Å; S59-Q61 VanDerWaalsContact O-N 3.09Å; S59-Q61 PolarHBondContact OG-N 3.42Å; Q61-I63 VanDerWaalsContact C-N 3.35Å; Q61-L64 PolarHBondContact O-N 3.5Å; Q61-N65 PolarHBondContact O-N 3.06Å |
| 62 | S | 67.5 | Low | 54.3 | Low | 68 Ų | 68 | 108.3 Ų | 108.3 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 177.2 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | S59 I60 N65 E66 | S59-S62 WeakPolarHBondContact O-CA 3.49Å; S59-S62 VanDerWaalsContact O-CB 3.29Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.03Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.33Å; S62-N65 PolarHBondContact O-N 3.49Å; S62-E66 PolarHBondContact O-N 3.44Å |
| 63 | I | 66.9 | Low | 54.3 | Low | 38 Ų | 38 | 104.9 Ų | 104.9 | 20% | 0.195 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -68.8 | -40.2 | 178.9 | -60.2 | 168.9 | 0 | 0 | 0 | 110.8 | Y58 S59 I60 Q61 N65 E66 A67 I218 | Y58-I63 HydrophobicContact CD2-CD1 3.81Å; Y58-I63 HydrophobicContact CG-CD1 4.11Å; S59-I63 PolarHBondContact O-N 3.48Å; I60-I63 PolarHBondContact O-N 3.04Å; Q61-I63 VanDerWaalsContact C-N 3.35Å; I63-N65 VanDerWaalsContact C-N 3.29Å; I63-N65 PolarHBondContact O-N 3.46Å; I63-E66 PolarHBondContact O-N 3.38Å; I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.3Å; I63-I218 HydrophobicContact CD1-CD1 4.3Å; I63-I218 HydrophobicContact CG2-CD1 3.78Å |
| 64 | L | 63.2 | Low | 54.3 | Low | 35 Ų | 35 | 107.3 Ų | 107.3 | 18% | 0.183 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -66.9 | -30.3 | 177.2 | -67.9 | 174.1 | 0 | 0 | 0 | 112.8 | I60 Q61 R68 I218 E222 | I60-L64 HydrophobicContact CG2-CD1 3.91Å; I60-L64 HydrophobicContact CG2-CG 4.22Å; I60-L64 WeakPolarHBondContact O-CG 3.32Å; I60-L64 PolarHBondContact O-N 2.97Å; Q61-L64 PolarHBondContact O-N 3.5Å; L64-R68 PolarHBondContact O-N 3.03Å; L64-I218 HydrophobicContact CD2-CG2 4.39Å; L64-E222 WeakPolarHBondContact CD1-OE2 3.45Å; L64-E222 WeakPolarHBondContact CD2-OE2 3.46Å |
| 65 | N | 68.5 | Low | 53.9 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.5 | -43.2 | 175.2 | -117.4 | 28.6 | 0 | 0 | 0 | 111.8 | Q61 S62 I63 A67 R68 S69 | Q61-N65 PolarHBondContact O-N 3.06Å; S62-N65 PolarHBondContact O-N 3.49Å; I63-N65 VanDerWaalsContact C-N 3.29Å; I63-N65 PolarHBondContact O-N 3.46Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 2.91Å; N65-R68 WeakPolarHBondContact O-CB 3.48Å; N65-R68 PolarHBondContact O-N 3.2Å; N65-S69 PolarHBondContact O-N 3.43Å |
| 66 | E | 67.6 | Low | 53.6 | Low | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.9 | -44.2 | 175.3 | -160.1 | 80.9 | -147.5 | 0 | 0 | 111.2 | S62 I63 R68 S69 I70 | S62-E66 PolarHBondContact O-N 3.44Å; I63-E66 PolarHBondContact O-N 3.38Å; E66-R68 PolarHBondContact O-N 2.95Å; E66-R68 VanDerWaalsContact O-N 3.17Å; E66-S69 PolarHBondContact O-N 2.85Å; E66-S69 VanDerWaalsContact O-N 3.09Å; E66-S69 PolarHBondContact O-OG 2.76Å; E66-S69 VanDerWaalsContact O-OG 3.08Å; E66-I70 HydrophobicContact CG-CD1 4.37Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.2Å |
| 67 | A | 51.3 | Low | 52.9 | Low | 10 Ų | 10 | 103.3 Ų | 103.3 | 8% | 0.083 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -62.7 | -23.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I63 N65 N71 | I63-A67 WeakPolarHBondContact O-CB 3.45Å; I63-A67 PolarHBondContact O-N 3.3Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 2.91Å; A67-N71 PolarHBondContact O-ND2 2.89Å |
| 68 | R | 55.3 | Low | 52.8 | Low | 183 Ų | 183 | 103.1 Ų | 103.1 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.1 | -28.1 | 176.2 | -116.1 | -178.2 | -83.2 | 177.6 | -8.6 | 112.7 | L64 N65 E66 | L64-R68 PolarHBondContact O-N 3.03Å; N65-R68 WeakPolarHBondContact O-CB 3.48Å; N65-R68 PolarHBondContact O-N 3.2Å; E66-R68 PolarHBondContact O-N 2.95Å; E66-R68 VanDerWaalsContact O-N 3.17Å |
| 69 | S | 51.6 | Low | 51.8 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.2 | -29.7 | 176.6 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | N65 E66 | N65-S69 PolarHBondContact O-N 3.43Å; E66-S69 PolarHBondContact O-N 2.85Å; E66-S69 VanDerWaalsContact O-N 3.09Å; E66-S69 PolarHBondContact O-OG 2.76Å; E66-S69 VanDerWaalsContact O-OG 3.08Å |
| 70 | I | 56 | Low | 50.4 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.9 | -21.6 | -177.4 | -60.2 | 168.8 | 0 | 0 | 0 | 112.7 | E66 A72 | E66-I70 HydrophobicContact CG-CD1 4.37Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.2Å; I70-A72 VanDerWaalsContact C-N 3.33Å; I70-A72 PolarHBondContact O-N 3.45Å |
| 71 | N | 43.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 115 Ų | 115 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 18.2 | -179.7 | -73.6 | -65.7 | 0 | 0 | 0 | 114.1 | A67 | A67-N71 PolarHBondContact O-ND2 2.89Š|
| 72 | A | 38.3 | Very low | 47.4 | Very low | 71 Ų | 71 | 111.7 Ų | 111.7 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -71.8 | 121.7 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | I70 N74 | I70-A72 VanDerWaalsContact C-N 3.33Å; I70-A72 PolarHBondContact O-N 3.45Å; A72-N74 PolarHBondContact O-N 2.96Å; A72-N74 VanDerWaalsContact O-N 3.13Å |
| 73 | P | 39 | Very low | 45.8 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -70.8 | 113.3 | -173.6 | 28.2 | -31.8 | 0 | 0 | 0 | 109.5 | ||||
| 74 | N | 41.8 | Very low | 44 | Very low | 166 Ų | 166 | 117 Ų | 117 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | trans | -110.3 | 112.3 | 163.8 | -129.6 | -0.8 | 0 | 0 | 0 | 107.2 | A72 | A72-N74 PolarHBondContact O-N 2.96Å; A72-N74 VanDerWaalsContact O-N 3.13Å | ||
| 75 | E | 33.3 | Very low | 42.4 | Very low | 190 Ų | 190 | 125 Ų | 125 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -70.8 | 124.4 | 179.6 | -60 | -156.2 | 140.5 | 0 | 0 | 111.1 | ||||
| 76 | A | 37.5 | Very low | 40.6 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -172.2 | 101.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 77 | S | 33.3 | Very low | 38.8 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 5 | 130.4 | 147 | -165.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 78 | S | 40.5 | Very low | 38 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 165.6 | 139 | 101.5 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 79 | K | 31.2 | Very low | 36.7 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 154 | -177 | -64 | 161.1 | 175.1 | 169.4 | 0 | 112.6 | ||||
| 80 | T | 41.6 | Very low | 35.8 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | -168.4 | 146.4 | 128.1 | 40.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 81 | N | 32.6 | Very low | 34.5 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -98.1 | 154.5 | -172.6 | -60 | -47.7 | 0 | 0 | 0 | 111.4 | ||||
| 82 | G | 34.2 | Very low | 34.1 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | -160.8 | 116.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | S | 33.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -82.6 | 156.1 | -170.2 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 84 | A | 30 | Very low | 33.3 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -70.6 | 150.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | F | 29.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | trans | -160.2 | 136 | 150.6 | -145.7 | -98.9 | 0 | 0 | 0 | 109.9 | ||||
| 86 | F | 29.7 | Very low | 32.7 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -137.7 | 157.8 | -177.5 | -121.3 | -83.2 | 0 | 0 | 0 | 111.4 | ||||
| 87 | E | 30.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 82.8 | 157.6 | 162.2 | -94.3 | -177 | 111.3 | 0 | 0 | 120.5 | ||||
| 88 | P | 33.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | cis | -137.3 | 178.2 | -11.4 | 26.5 | -1.8 | 0 | 0 | 0 | 116.4 | ||||
| 89 | L | 28.6 | Very low | 31.7 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -80.3 | 166 | -173.5 | -140.8 | 78.3 | 0 | 0 | 0 | 115.7 | ||||
| 90 | P | 31.9 | Very low | 31.7 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -129.6 | 157.1 | 151 | 37.6 | -24.1 | 0 | 0 | 0 | 116.4 | ||||
| 91 | S | 29.3 | Very low | 31.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -63 | 143 | -179.6 | 51.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 92 | S | 34.9 | Very low | 31.4 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | 171.8 | 146 | 115 | -156.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 93 | I | 30.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | trans | -93.7 | 143.5 | -170.1 | -67.3 | 158.3 | 0 | 0 | 0 | 109.9 | ||||
| 94 | D | 31.2 | Very low | 31.8 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -153.3 | 140 | 142 | -93.5 | -40.5 | 0 | 0 | 0 | 112.7 | ||||
| 95 | K | 30.4 | Very low | 32.2 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -77.1 | 141.6 | -166.5 | -70.7 | 165.3 | 175.4 | 170.8 | 0 | 113.3 | ||||
| 96 | A | 32 | Very low | 32.6 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -157.8 | 130.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 97 | S | 28.8 | Very low | 32.9 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -60.1 | 156 | 179.5 | -31.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 98 | I | 31.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -176.2 | 144 | 136.3 | -86.6 | 144.8 | 0 | 0 | 0 | 110.5 | ||||
| 99 | S | 30.5 | Very low | 34.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -60.1 | 156.8 | -164.5 | -51 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 100 | L | 31.4 | Very low | 35.6 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -83 | 136.4 | 170.6 | -151.5 | 80.7 | 0 | 0 | 0 | 111.6 | ||||
| 101 | P | 36.3 | Very low | 36 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -116.3 | 135.1 | 163.6 | 33.6 | -22.1 | 0 | 0 | 0 | 113.4 | ||||
| 102 | G | 31.4 | Very low | 37.2 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 72.5 | 105.9 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | H104 | G102-H104 PolarHBondContact O-N 2.98Š| ||
| 103 | A | 37.5 | Very low | 38.1 | Very low | 107 Ų | 107 | 127 Ų | 127 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 104 | H | 39.2 | Very low | 39.3 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 120.4 | 161.5 | -149 | -92.2 | 0 | 0 | 0 | 109.1 | G102 G106 | G102-H104 PolarHBondContact O-N 2.98Å; H104-G106 PolarHBondContact O-N 3.1Å |
| 105 | Q | 37 | Very low | 40.6 | Very low | 183 Ų | 183 | 117.9 Ų | 117.9 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126.7 | 179.1 | -65 | 171.4 | 1 | 0 | 0 | 110.5 | ||
| 106 | G | 38 | Very low | 42 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -159.5 | 107.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | H104 G108 | H104-G106 PolarHBondContact O-N 3.1Å; G106-G108 VanDerWaalsContact C-N 3.28Å; G106-G108 PolarHBondContact O-N 3.27Å | ||
| 107 | F | 36.3 | Very low | 43.3 | Very low | 219 Ų | 219 | 111.7 Ų | 111.7 | 96% | 0.961 | 66% | 0.661 | S | S | * | * | trans | -60.9 | 85.5 | 177.8 | -73.3 | -92.2 | 0 | 0 | 0 | 110.8 | ||||
| 108 | G | 42.6 | Very low | 44.6 | Very low | 43 Ų | 43 | 110.2 Ų | 110.2 | 44% | 0.443 | 64% | 0.64 | S | S | . | * | trans | -71.9 | 125.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | G106 | G106-G108 VanDerWaalsContact C-N 3.28Å; G106-G108 PolarHBondContact O-N 3.27Å | ||
| 109 | S | 51.1 | Low | 46 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 57% | 0.566 | 61% | 0.614 | S | S | * | * | trans | -53.3 | 145.3 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | W111 A112 | S109-W111 CarbonylContact O-C 3.44Å; S109-W111 PolarHBondContact O-N 3.16Å; S109-A112 WeakPolarHBondContact O-CB 3.29Å; S109-A112 PolarHBondContact O-N 2.87Å | ||
| 110 | S | 55.3 | Low | 47.4 | Very low | 68 Ų | 68 | 103.5 Ų | 103.5 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -43.8 | -30.2 | 176.5 | 164 | 0 | 0 | 0 | 0 | 113.4 | A114 | S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.06Å |
| 111 | W | 41.2 | Very low | 48.6 | Very low | 201 Ų | 201 | 99.7 Ų | 99.7 | 76% | 0.761 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.7 | -37 | 172.9 | -92.3 | 57.7 | 0 | 0 | 0 | 115.5 | S109 N115 | S109-W111 CarbonylContact O-C 3.44Å; S109-W111 PolarHBondContact O-N 3.16Å; W111-N115 WeakPolarHBondContact O-CB 3.44Å; W111-N115 PolarHBondContact O-N 3.07Å; W111-N115 PolarHBondContact O-ND2 3.43Å |
| 112 | A | 53.4 | Low | 49.6 | Very low | 45 Ų | 45 | 95.5 Ų | 95.5 | 37% | 0.372 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.3 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | S109 N115 L116 | S109-A112 WeakPolarHBondContact O-CB 3.29Å; S109-A112 PolarHBondContact O-N 2.87Å; A112-N115 PolarHBondContact O-N 3.06Å; A112-L116 PolarHBondContact O-N 3.04Å |
| 113 | N | 54.5 | Low | 50.8 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 173.3 | -71.3 | -16.3 | 0 | 0 | 0 | 111.2 | N115 L116 L117 | N113-N115 PolarHBondContact O-N 3.39Å; N113-L116 PolarHBondContact O-N 3.26Å; N113-L117 WeakPolarHBondContact O-CB 3.45Å; N113-L117 VanDerWaalsContact O-CG 3.26Å; N113-L117 WeakPolarHBondContact O-CG 3.48Å; N113-L117 PolarHBondContact O-N 3.27Å |
| 114 | A | 56.4 | Low | 51.2 | Low | 29 Ų | 29 | 93.6 Ų | 93.6 | 24% | 0.24 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S110 L117 Y118 A151 | S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.06Å; A114-L117 PolarHBondContact O-N 3Å; A114-Y118 WeakPolarHBondContact O-CB 3.45Å; A114-Y118 PolarHBondContact O-N 3.41Å; A114-A151 HydrophobicContact CB-CB 4.45Å |
| 115 | N | 57.4 | Low | 51.8 | Low | 88 Ų | 88 | 88 Ų | 88 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | 177.1 | -80.7 | -58.6 | 0 | 0 | 0 | 112.9 | W111 A112 N113 Y118 S119 | W111-N115 WeakPolarHBondContact O-CB 3.44Å; W111-N115 PolarHBondContact O-N 3.07Å; W111-N115 PolarHBondContact O-ND2 3.43Å; A112-N115 PolarHBondContact O-N 3.06Å; N113-N115 PolarHBondContact O-N 3.39Å; N115-Y118 WeakPolarHBondContact O-CB 3.39Å; N115-Y118 PolarHBondContact O-N 3.08Å; N115-S119 WeakPolarHBondContact O-CB 3.46Å; N115-S119 PolarHBondContact O-N 3.29Å; N115-S119 PolarHBondContact O-OG 3.38Å |
| 116 | L | 61.3 | Low | 52.2 | Low | 113 Ų | 113 | 88 Ų | 88 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -48.8 | 172.5 | -110.5 | 144.4 | 0 | 0 | 0 | 110.4 | A112 N113 Y118 S119 C120 | A112-L116 PolarHBondContact O-N 3.04Å; N113-L116 PolarHBondContact O-N 3.26Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 2.97Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-C120 PolarHBondContact O-N 2.89Å; L116-C120 PolarHBondContact O-SG 3.45Å; L116-C120 VanDerWaalsContact O-SG 3.34Å |
| 117 | L | 58.3 | Low | 52.6 | Low | 58 Ų | 58 | 90.7 Ų | 90.7 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 173.2 | -69.6 | 171.7 | 0 | 0 | 0 | 111.6 | N113 A114 S119 C120 L121 A151 | N113-L117 WeakPolarHBondContact O-CB 3.45Å; N113-L117 VanDerWaalsContact O-CG 3.26Å; N113-L117 WeakPolarHBondContact O-CG 3.48Å; N113-L117 PolarHBondContact O-N 3.27Å; A114-L117 PolarHBondContact O-N 3Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.95Å; L117-C120 PolarHBondContact O-N 3.33Å; L117-L121 HydrophobicContact CB-CD1 4.18Å; L117-L121 HydrophobicContact CD2-CD1 4.47Å; L117-L121 VanDerWaalsContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 WeakPolarHBondContact O-CD1 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.4Å; L117-L121 PolarHBondContact O-N 3.13Å; L117-A151 HydrophobicContact CD1-CB 3.92Å |
| 118 | Y | 57.1 | Low | 52.9 | Low | 80 Ų | 80 | 86.5 Ų | 86.5 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.1 | -136.3 | -97.6 | 0 | 0 | 0 | 112.3 | A114 N115 L116 L122 | A114-Y118 WeakPolarHBondContact O-CB 3.45Å; A114-Y118 PolarHBondContact O-N 3.41Å; N115-Y118 WeakPolarHBondContact O-CB 3.39Å; N115-Y118 PolarHBondContact O-N 3.08Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 2.97Å; Y118-L122 HydrophobicContact CD1-CD2 4.12Å; Y118-L122 HydrophobicContact CD2-CD1 4.48Å; Y118-L122 HydrophobicContact CE1-CD2 3.6Å; Y118-L122 HydrophobicContact CE2-CD2 4.28Å; Y118-L122 HydrophobicContact CG-CD1 4.45Å; Y118-L122 WeakPolarHBondContact O-CB 3.48Å; Y118-L122 PolarHBondContact O-N 2.89Å; Y118-L122 VanDerWaalsContact O-N 3.17Å |
| 119 | S | 60.7 | Low | 53 | Low | 51 Ų | 51 | 93 Ų | 93 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.4 | -34.3 | -178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | N115 L116 L117 W254 | N115-S119 WeakPolarHBondContact O-CB 3.46Å; N115-S119 PolarHBondContact O-N 3.29Å; N115-S119 PolarHBondContact O-OG 3.38Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.95Å; S119-W254 VanDerWaalsContact OG-CH2 3.31Å; S119-W254 WeakPolarHBondContact OG-CH2 3.31Å |
| 120 | C | 58.3 | Low | 52.3 | Low | 96 Ų | 96 | 93 Ų | 93 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -79.8 | -35.1 | 177.1 | -63 | 0 | 0 | 0 | 0 | 113 | L116 L117 | L116-C120 PolarHBondContact O-N 2.89Å; L116-C120 PolarHBondContact O-SG 3.45Å; L116-C120 VanDerWaalsContact O-SG 3.34Å; L117-C120 PolarHBondContact O-N 3.33Å |
| 121 | L | 57 | Low | 51.5 | Low | 94 Ų | 94 | 93.7 Ų | 93.7 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -92.4 | -22.7 | -171.9 | -71.3 | 159.7 | 0 | 0 | 0 | 114.3 | L117 P123 | L117-L121 HydrophobicContact CB-CD1 4.18Å; L117-L121 HydrophobicContact CD2-CD1 4.47Å; L117-L121 VanDerWaalsContact O-CB 3.25Å; L117-L121 WeakPolarHBondContact O-CB 3.39Å; L117-L121 WeakPolarHBondContact O-CD1 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.4Å; L117-L121 PolarHBondContact O-N 3.13Å; L121-P123 VanDerWaalsContact C-CD 3.4Å |
| 122 | L | 58.1 | Low | 51.5 | Low | 28 Ų | 28 | 93.9 Ų | 93.9 | 15% | 0.147 | 53% | 0.53 | C | S | . | . | trans | -114.5 | 29.6 | -171.8 | -77.3 | 82 | 0 | 0 | 0 | 118 | Y118 G124 L125 | Y118-L122 HydrophobicContact CD1-CD2 4.12Å; Y118-L122 HydrophobicContact CD2-CD1 4.48Å; Y118-L122 HydrophobicContact CE1-CD2 3.6Å; Y118-L122 HydrophobicContact CE2-CD2 4.28Å; Y118-L122 HydrophobicContact CG-CD1 4.45Å; Y118-L122 WeakPolarHBondContact O-CB 3.48Å; Y118-L122 PolarHBondContact O-N 2.89Å; Y118-L122 VanDerWaalsContact O-N 3.17Å; L122-G124 PolarHBondContact O-N 3.24Å; L122-G124 VanDerWaalsContact O-N 3.12Å; L122-L125 HydrophobicContact CB-CB 4.22Å; L122-L125 HydrophobicContact CD2-CB 3.93Å; L122-L125 HydrophobicContact CD2-CD2 3.55Å; L122-L125 HydrophobicContact CD2-CG 4.29Å; L122-L125 HydrophobicContact CG-CB 4.14Å; L122-L125 HydrophobicContact CG-CD2 4.36Å; L122-L125 PolarHBondContact O-N 3.32Å | ||
| 123 | P | 55.9 | Low | 51.4 | Low | 79 Ų | 79 | 99.4 Ų | 99.4 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.2 | 171.2 | -24.8 | 33.3 | 0 | 0 | 0 | 114.2 | L121 K258 | L121-P123 VanDerWaalsContact C-CD 3.4Å; P123-K258 PolarHBondContact O-NZ 3.09Å; P123-K258 VanDerWaalsContact O-NZ 3.09Å |
| 124 | G | 47 | Very low | 50.7 | Low | 65 Ų | 65 | 105 Ų | 105 | 67% | 0.67 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -11.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L122 | L122-G124 PolarHBondContact O-N 3.24Å; L122-G124 VanDerWaalsContact O-N 3.12Å |
| 125 | L | 50.5 | Low | 50.5 | Low | 70 Ų | 70 | 108.8 Ų | 108.8 | 37% | 0.366 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -21.1 | -175.4 | -134.8 | 82.7 | 0 | 0 | 0 | 113.6 | L122 L140 L143 | L122-L125 HydrophobicContact CB-CB 4.22Å; L122-L125 HydrophobicContact CD2-CB 3.93Å; L122-L125 HydrophobicContact CD2-CD2 3.55Å; L122-L125 HydrophobicContact CD2-CG 4.29Å; L122-L125 HydrophobicContact CG-CB 4.14Å; L122-L125 HydrophobicContact CG-CD2 4.36Å; L122-L125 PolarHBondContact O-N 3.32Å; L125-L140 HydrophobicContact CD1-CD2 3.41Å; L125-L140 VanDerWaalsContact CD1-CD2 3.41Å; L125-L140 HydrophobicContact CD2-CD2 4.03Å; L125-L140 HydrophobicContact CG-CD2 3.69Å; L125-L143 HydrophobicContact CD1-CD1 4.23Å |
| 126 | W | 46.4 | Very low | 50.5 | Low | 184 Ų | 184 | 109.9 Ų | 109.9 | 70% | 0.697 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -101.6 | -7.5 | -170.3 | -75.3 | 76.3 | 0 | 0 | 0 | 114 | ||
| 127 | Y | 45 | Very low | 50.9 | Low | 126 Ų | 126 | 109.1 Ų | 109.1 | 49% | 0.494 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -142.1 | 117.4 | 175.1 | -91.9 | -93.6 | 0 | 0 | 0 | 109.4 | H129 K258 | Y127-H129 VanDerWaalsContact C-N 3.34Å; Y127-H129 PolarHBondContact O-N 2.87Å; Y127-K258 HydrophobicContact CD2-CD 4.46Å |
| 128 | P | 44.2 | Very low | 51.6 | Low | 130 Ų | 130 | 110.3 Ų | 110.3 | 84% | 0.844 | 60% | 0.604 | S | S | * | * | trans | -70.8 | 96 | 168.4 | 28.7 | -28.7 | 0 | 0 | 0 | 107.4 | A130 | P128-A130 PolarHBondContact O-N 2.91Š| ||
| 129 | H | 43.8 | Very low | 52.4 | Low | 181 Ų | 181 | 113.6 Ų | 113.6 | 84% | 0.838 | 62% | 0.616 | S | S | * | * | trans | -79 | 103.7 | 170.5 | -171.3 | -86.6 | 0 | 0 | 0 | 107.6 | Y127 | Y127-H129 VanDerWaalsContact C-N 3.34Å; Y127-H129 PolarHBondContact O-N 2.87Å | ||
| 130 | A | 37.3 | Very low | 52.8 | Low | 79 Ų | 79 | 114.5 Ų | 114.5 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 68.7 | 132.3 | 172 | 0 | 0 | 0 | 0 | 0 | 117.1 | P128 | P128-A130 PolarHBondContact O-N 2.91Š|
| 131 | A | 37.9 | Very low | 53.6 | Low | 84 Ų | 84 | 114.4 Ų | 114.4 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 61.9 | 98 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q133 | A131-Q133 VanDerWaalsContact C-N 3.29Å; A131-Q133 PolarHBondContact O-N 3.31Å |
| 132 | Q | 41.1 | Very low | 54.6 | Low | 205 Ų | 205 | 112.6 Ų | 112.6 | 96% | 0.958 | 61% | 0.608 | S | S | * | * | 56.7 | 22 | 120.4 | -143.6 | 173 | -37.6 | 0 | 0 | 119.7 | |||||
| 133 | Q | 50.7 | Low | 55.4 | Low | 161 Ų | 161 | 115 Ų | 115 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | trans | -118 | 110.4 | 168.4 | -78.8 | -172.7 | -18.9 | 0 | 0 | 110.5 | A131 H135 | A131-Q133 VanDerWaalsContact C-N 3.29Å; A131-Q133 PolarHBondContact O-N 3.31Å; Q133-H135 PolarHBondContact O-N 3.34Å | ||
| 134 | Q | 40.7 | Very low | 56.4 | Low | 204 Ų | 204 | 116.7 Ų | 116.7 | 95% | 0.953 | 62% | 0.617 | S | S | * | * | trans | -59.2 | 101.2 | 166.2 | -77.7 | -165.5 | -65.4 | 0 | 0 | 108.6 | D136 | Q134-D136 PolarHBondContact O-N 2.81Š| ||
| 135 | H | 52.6 | Low | 57.9 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 50% | 0.5 | 61% | 0.609 | S | S | . | * | trans | -73.1 | 118.8 | 165.2 | -96.5 | -58.2 | 0 | 0 | 0 | 109.2 | Q133 R139 | Q133-H135 PolarHBondContact O-N 3.34Å; H135-R139 PolarHBondContact CE1-NH1 3.46Å | ||
| 136 | D | 56.6 | Low | 59.2 | Low | 112 Ų | 112 | 120.9 Ų | 120.9 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | trans | -53.3 | 126.4 | 175.6 | -134.3 | -34.1 | 0 | 0 | 0 | 110.5 | Q134 S138 R139 | Q134-D136 PolarHBondContact O-N 2.81Å; D136-S138 PolarHBondContact O-N 2.83Å; D136-R139 PolarHBondContact O-N 3.39Å | ||
| 137 | P | 68.8 | Low | 60.4 | Low | 97 Ų | 97 | 113 Ų | 113 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -54.3 | -27.9 | -179.1 | 19.6 | -33.4 | 0 | 0 | 0 | 113.4 | R139 L140 L141 | P137-R139 VanDerWaalsContact C-N 3.3Å; P137-R139 PolarHBondContact O-N 3.4Å; P137-L140 PolarHBondContact O-N 2.9Å; P137-L141 PolarHBondContact O-N 3.29Å; P137-L141 VanDerWaalsContact O-N 3.08Å |
| 138 | S | 73.4 | Confident | 61.7 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 57% | 0.573 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.8 | -36.8 | 175.5 | -53 | 0 | 0 | 0 | 0 | 112.8 | D136 L141 A142 | D136-S138 PolarHBondContact O-N 2.83Å; S138-L141 PolarHBondContact O-N 2.86Å; S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 2.83Å |
| 139 | R | 73.5 | Confident | 63.1 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -38.3 | 179.8 | -156.9 | -171.2 | -171.9 | -153.8 | 6.5 | 111.3 | H135 D136 P137 L141 A142 L143 | H135-R139 PolarHBondContact CE1-NH1 3.46Å; D136-R139 PolarHBondContact O-N 3.39Å; P137-R139 VanDerWaalsContact C-N 3.3Å; P137-R139 PolarHBondContact O-N 3.4Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-A142 PolarHBondContact O-N 2.78Å; R139-L143 WeakPolarHBondContact O-CG 3.4Å; R139-L143 PolarHBondContact O-N 3.4Å |
| 140 | L | 70.7 | Confident | 64.4 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 175.2 | -58.6 | 178.9 | 0 | 0 | 0 | 111 | L125 P137 W144 | L125-L140 HydrophobicContact CD1-CD2 3.41Å; L125-L140 VanDerWaalsContact CD1-CD2 3.41Å; L125-L140 HydrophobicContact CD2-CD2 4.03Å; L125-L140 HydrophobicContact CG-CD2 3.69Å; P137-L140 PolarHBondContact O-N 2.9Å; L140-W144 WeakPolarHBondContact O-CB 3.33Å; L140-W144 PolarHBondContact O-N 3.36Å |
| 141 | L | 75.1 | Confident | 65.6 | Low | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.3 | -173.8 | 62.9 | 0 | 0 | 0 | 112.3 | P137 S138 R139 W144 Q145 | P137-L141 PolarHBondContact O-N 3.29Å; P137-L141 VanDerWaalsContact O-N 3.08Å; S138-L141 PolarHBondContact O-N 2.86Å; R139-L141 VanDerWaalsContact C-N 3.33Å; L141-W144 HydrophobicContact CD1-CE3 4.27Å; L141-W144 WeakPolarHBondContact O-CB 3.25Å; L141-W144 PolarHBondContact O-N 2.75Å; L141-Q145 WeakPolarHBondContact O-CG 3.39Å; L141-Q145 PolarHBondContact O-N 2.81Å |
| 142 | A | 76.6 | Confident | 66.9 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S138 R139 W144 Q145 Q146 | S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 2.83Å; R139-A142 PolarHBondContact O-N 2.78Å; A142-W144 VanDerWaalsContact C-N 3.28Å; A142-W144 PolarHBondContact O-N 2.95Å; A142-Q145 PolarHBondContact O-N 2.86Å; A142-Q146 WeakPolarHBondContact O-CB 3.38Å; A142-Q146 PolarHBondContact O-N 3.32Å |
| 143 | L | 76 | Confident | 67.7 | Low | 80 Ų | 80 | 93.9 Ų | 93.9 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 174.6 | -71 | 172.4 | 0 | 0 | 0 | 111.6 | L125 R139 Q146 A147 | L125-L143 HydrophobicContact CD1-CD1 4.23Å; R139-L143 WeakPolarHBondContact O-CG 3.4Å; R139-L143 PolarHBondContact O-N 3.4Å; L143-Q146 PolarHBondContact O-N 2.82Å; L143-A147 PolarHBondContact O-N 3.34Å; L143-A147 VanDerWaalsContact O-N 3.07Å |
| 144 | W | 76.6 | Confident | 68.1 | Low | 114 Ų | 114 | 89.5 Ų | 89.5 | 43% | 0.432 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.4 | -176.8 | 89 | 0 | 0 | 0 | 112.3 | L140 L141 A142 A147 Q148 | L140-W144 WeakPolarHBondContact O-CB 3.33Å; L140-W144 PolarHBondContact O-N 3.36Å; L141-W144 HydrophobicContact CD1-CE3 4.27Å; L141-W144 WeakPolarHBondContact O-CB 3.25Å; L141-W144 PolarHBondContact O-N 2.75Å; A142-W144 VanDerWaalsContact C-N 3.28Å; A142-W144 PolarHBondContact O-N 2.95Å; W144-A147 PolarHBondContact O-N 2.92Å; W144-Q148 HydrophobicContact CD2-CG 4.27Å; W144-Q148 HydrophobicContact CE3-CG 4.22Å; W144-Q148 HydrophobicContact CH2-CG 3.97Å; W144-Q148 HydrophobicContact CZ2-CG 4.02Å; W144-Q148 HydrophobicContact CZ3-CG 4.07Å; W144-Q148 WeakPolarHBondContact O-CG 3.27Å; W144-Q148 PolarHBondContact O-N 3.41Å; W144-Q148 VanDerWaalsContact O-N 3.16Å |
| 145 | Q | 78.7 | Confident | 68.8 | Low | 109 Ų | 109 | 82.9 Ų | 82.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.4 | -74 | -179.9 | 23.7 | 0 | 0 | 111.8 | L141 A142 A147 Q148 V149 | L141-Q145 WeakPolarHBondContact O-CG 3.39Å; L141-Q145 PolarHBondContact O-N 2.81Å; A142-Q145 PolarHBondContact O-N 2.86Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 2.91Å; Q145-Q148 WeakPolarHBondContact O-CB 3.31Å; Q145-Q148 PolarHBondContact O-N 3.44Å; Q145-V149 WeakPolarHBondContact O-CG2 3.43Å; Q145-V149 PolarHBondContact O-N 3.36Å |
| 146 | Q | 77.3 | Confident | 69 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.8 | -170.8 | 173.6 | 20.2 | 0 | 0 | 112 | A142 L143 Q148 V149 Q150 | A142-Q146 WeakPolarHBondContact O-CB 3.38Å; A142-Q146 PolarHBondContact O-N 3.32Å; L143-Q146 PolarHBondContact O-N 2.82Å; Q146-Q148 PolarHBondContact O-N 3.49Å; Q146-V149 PolarHBondContact O-N 2.9Å; Q146-Q150 PolarHBondContact O-N 3.07Å |
| 147 | A | 73 | Confident | 68.8 | Low | 19 Ų | 19 | 86 Ų | 86 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L143 W144 Q145 Q150 A151 | L143-A147 PolarHBondContact O-N 3.34Å; L143-A147 VanDerWaalsContact O-N 3.07Å; W144-A147 PolarHBondContact O-N 2.92Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 2.91Å; A147-Q150 PolarHBondContact O-N 2.96Å; A147-A151 WeakPolarHBondContact O-CB 3.2Å; A147-A151 PolarHBondContact O-N 3.16Å |
| 148 | Q | 71.6 | Confident | 67.8 | Low | 89 Ų | 89 | 84.8 Ų | 84.8 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.3 | -70 | -75.8 | -31 | 0 | 0 | 111.4 | W144 Q145 Q146 A151 T152 | W144-Q148 HydrophobicContact CD2-CG 4.27Å; W144-Q148 HydrophobicContact CE3-CG 4.22Å; W144-Q148 HydrophobicContact CH2-CG 3.97Å; W144-Q148 HydrophobicContact CZ2-CG 4.02Å; W144-Q148 HydrophobicContact CZ3-CG 4.07Å; W144-Q148 WeakPolarHBondContact O-CG 3.27Å; W144-Q148 PolarHBondContact O-N 3.41Å; W144-Q148 VanDerWaalsContact O-N 3.16Å; Q145-Q148 WeakPolarHBondContact O-CB 3.31Å; Q145-Q148 PolarHBondContact O-N 3.44Å; Q146-Q148 PolarHBondContact O-N 3.49Å; Q148-A151 PolarHBondContact O-N 3.31Å; Q148-T152 PolarHBondContact O-N 3.07Å; Q148-T152 PolarHBondContact O-OG1 3.45Å |
| 149 | V | 72.8 | Confident | 66.2 | Low | 93 Ų | 93 | 83.9 Ų | 83.9 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | Q145 Q146 T152 A153 | Q145-V149 WeakPolarHBondContact O-CG2 3.43Å; Q145-V149 PolarHBondContact O-N 3.36Å; Q146-V149 PolarHBondContact O-N 2.9Å; V149-T152 WeakPolarHBondContact CA-OG1 3.47Å; V149-T152 PolarHBondContact O-N 2.81Å; V149-T152 PolarHBondContact O-OG1 2.87Å; V149-A153 VanDerWaalsContact O-CB 3.31Å; V149-A153 WeakPolarHBondContact O-CB 3.33Å; V149-A153 PolarHBondContact O-N 3.3Å |
| 150 | Q | 71.5 | Confident | 64.3 | Low | 93 Ų | 93 | 80.1 Ų | 80.1 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 176.3 | -71.8 | -176.4 | -3.3 | 0 | 0 | 112.1 | Q146 A147 T152 A153 A154 | Q146-Q150 PolarHBondContact O-N 3.07Å; A147-Q150 PolarHBondContact O-N 2.96Å; Q150-T152 VanDerWaalsContact C-N 3.35Å; Q150-T152 PolarHBondContact O-N 2.99Å; Q150-A153 PolarHBondContact O-N 3.02Å; Q150-A154 WeakPolarHBondContact O-CB 3.26Å; Q150-A154 PolarHBondContact O-N 2.84Å |
| 151 | A | 63.3 | Low | 63.4 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 11% | 0.107 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A114 L117 A147 Q148 A155 | A114-A151 HydrophobicContact CB-CB 4.45Å; L117-A151 HydrophobicContact CD1-CB 3.92Å; A147-A151 WeakPolarHBondContact O-CB 3.2Å; A147-A151 PolarHBondContact O-N 3.16Å; Q148-A151 PolarHBondContact O-N 3.31Å; A151-A155 PolarHBondContact O-N 2.88Å |
| 152 | T | 64.9 | Low | 61.9 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -76.5 | -39.8 | 175 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | Q148 V149 Q150 A154 A155 V156 | Q148-T152 PolarHBondContact O-N 3.07Å; Q148-T152 PolarHBondContact O-OG1 3.45Å; V149-T152 WeakPolarHBondContact CA-OG1 3.47Å; V149-T152 PolarHBondContact O-N 2.81Å; V149-T152 PolarHBondContact O-OG1 2.87Å; Q150-T152 VanDerWaalsContact C-N 3.35Å; Q150-T152 PolarHBondContact O-N 2.99Å; T152-A154 VanDerWaalsContact C-N 3.32Å; T152-A154 PolarHBondContact O-N 3.48Å; T152-A155 WeakPolarHBondContact O-CA 3.44Å; T152-A155 WeakPolarHBondContact O-CB 3.43Å; T152-A155 PolarHBondContact O-N 3.42Å; T152-V156 WeakPolarHBondContact O-CG2 3.38Å; T152-V156 PolarHBondContact O-N 3.26Å |
| 153 | A | 58.3 | Low | 60.3 | Low | 41 Ų | 41 | 89.4 Ų | 89.4 | 34% | 0.339 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.2 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V149 Q150 A155 V156 F157 | V149-A153 VanDerWaalsContact O-CB 3.31Å; V149-A153 WeakPolarHBondContact O-CB 3.33Å; V149-A153 PolarHBondContact O-N 3.3Å; Q150-A153 PolarHBondContact O-N 3.02Å; A153-A155 PolarHBondContact O-N 2.98Å; A153-V156 PolarHBondContact O-N 3.34Å; A153-F157 WeakPolarHBondContact O-CD2 3.25Å; A153-F157 PolarHBondContact O-N 2.95Å; A153-F157 VanDerWaalsContact O-N 3.15Å |
| 154 | A | 58.3 | Low | 58.6 | Low | 69 Ų | 69 | 97.7 Ų | 97.7 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.2 | -28.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q150 T152 | Q150-A154 WeakPolarHBondContact O-CB 3.26Å; Q150-A154 PolarHBondContact O-N 2.84Å; T152-A154 VanDerWaalsContact C-N 3.32Å; T152-A154 PolarHBondContact O-N 3.48Å |
| 155 | A | 55.2 | Low | 56.8 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -81 | -26.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A151 T152 A153 | A151-A155 PolarHBondContact O-N 2.88Å; T152-A155 WeakPolarHBondContact O-CA 3.44Å; T152-A155 WeakPolarHBondContact O-CB 3.43Å; T152-A155 PolarHBondContact O-N 3.42Å; A153-A155 PolarHBondContact O-N 2.98Å |
| 156 | V | 57.1 | Low | 55 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -88.4 | -34.1 | -174.8 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | T152 A153 G158 | T152-V156 WeakPolarHBondContact O-CG2 3.38Å; T152-V156 PolarHBondContact O-N 3.26Å; A153-V156 PolarHBondContact O-N 3.34Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.44Å |
| 157 | F | 53 | Low | 53.4 | Low | 178 Ų | 178 | 96.2 Ų | 96.2 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 1.7 | -179.9 | -74.7 | -76.6 | 0 | 0 | 0 | 114.8 | A153 G159 | A153-F157 WeakPolarHBondContact O-CD2 3.25Å; A153-F157 PolarHBondContact O-N 2.95Å; A153-F157 VanDerWaalsContact O-N 3.15Å; F157-G159 PolarHBondContact O-N 3.5Å |
| 158 | G | 47.4 | Very low | 52 | Low | 72 Ų | 72 | 100.3 Ų | 100.3 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 0.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V156 | V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.44Å |
| 159 | G | 38.7 | Very low | 50.7 | Low | 63 Ų | 63 | 100.3 Ų | 100.3 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | trans | -99.8 | 106.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F157 | F157-G159 PolarHBondContact O-N 3.5Š| ||
| 160 | G | 33.3 | Very low | 49.2 | Very low | 71 Ų | 71 | 104 Ų | 104 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 152 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 161 | P | 51.7 | Low | 47.6 | Very low | 124 Ų | 124 | 103.3 Ų | 103.3 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 128.9 | 171.5 | 31 | -29.4 | 0 | 0 | 0 | 111.9 | ||
| 162 | N | 44.4 | Very low | 46.3 | Very low | 168 Ų | 168 | 110.3 Ų | 110.3 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 122.9 | 168.9 | -77.7 | -32.1 | 0 | 0 | 0 | 111.3 | ||
| 163 | S | 44 | Very low | 45.3 | Very low | 122 Ų | 122 | 116 Ų | 116 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 119.4 | 165.8 | -33.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 164 | R | 40.1 | Very low | 43.9 | Very low | 254 Ų | 254 | 119.7 Ų | 119.7 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 147.9 | 169.6 | -64.9 | 172.3 | -165.9 | 169.3 | 4.3 | 109.7 | ||
| 165 | G | 38.7 | Very low | 43 | Very low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | 142.4 | 99.3 | 152 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 166 | T | 40.3 | Very low | 42 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | 64.3 | 113.8 | 134.9 | 53.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 167 | S | 43.1 | Very low | 41.2 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 74.5 | 119.3 | 127.3 | 65.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 168 | S | 43.5 | Very low | 40.2 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 95.5 | 109.9 | 131.3 | -147.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 169 | S | 44.3 | Very low | 39.6 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 62% | 0.615 | 81% | 0.807 | S | S | * | * | trans | 61 | 108.9 | 136.2 | 61.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 170 | N | 41.5 | Very low | 39.2 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 60.6 | 115.7 | 133.8 | -55.3 | -20.8 | 0 | 0 | 0 | 119.6 | ||||
| 171 | G | 37.5 | Very low | 39.3 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 149.5 | 90.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H173 | G171-H173 PolarHBondContact O-N 2.92Š| ||
| 172 | D | 37.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -57.9 | 120.3 | 168.6 | -75.6 | -65.1 | 0 | 0 | 0 | 111.7 | ||||
| 173 | H | 42.8 | Very low | 38.1 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 89% | 0.889 | 82% | 0.818 | S | S | * | * | trans | -171.7 | 121.9 | 140.8 | -99.2 | -53 | 0 | 0 | 0 | 110.8 | G171 | G171-H173 PolarHBondContact O-N 2.92Š| ||
| 174 | C | 29.9 | Very low | 37.7 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -81.5 | 124.2 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 175 | V | 39.3 | Very low | 37.4 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -140.7 | 126.5 | 165.4 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 176 | Q | 34.5 | Very low | 37.2 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -75.5 | 150.8 | 177 | -62.5 | -169.4 | -7.4 | 0 | 0 | 112.5 | ||||
| 177 | P | 39.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -104.3 | 126.9 | 158 | 32.3 | -23.5 | 0 | 0 | 0 | 112.3 | ||||
| 178 | K | 31.7 | Very low | 37 | Very low | 215 Ų | 215 | 142 Ų | 142 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -74.5 | 132.9 | 161.7 | -83.5 | 176.5 | 172 | 178.1 | 0 | 109.3 | ||||
| 179 | G | 35.7 | Very low | 36.9 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -150.8 | 110.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 180 | E | 30.3 | Very low | 36.9 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -80.5 | 135.3 | -174.2 | -168.9 | 152.3 | 136.5 | 0 | 0 | 111.3 | ||||
| 181 | L | 34.6 | Very low | 37 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -143.9 | 133.3 | 164.8 | -101.2 | 159.3 | 0 | 0 | 0 | 108.8 | ||||
| 182 | T | 38.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.724 | 83% | 0.826 | S | S | * | * | trans | -86.3 | 157 | -149.2 | 45.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | D | 31.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -31.4 | 128.9 | 174.6 | -101.5 | -35.3 | 0 | 0 | 0 | 117 | ||||
| 184 | F | 35.5 | Very low | 37 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -141.6 | 119.1 | 147.8 | -104.5 | -87.9 | 0 | 0 | 0 | 108.5 | ||||
| 185 | Q | 33.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | 94.2 | 131.4 | 133.9 | -153.2 | 142.3 | -26.4 | 0 | 0 | 119.3 | ||||
| 186 | L | 35.5 | Very low | 37.9 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 99.9 | 78.5 | 145 | -125.8 | 75.9 | 0 | 0 | 0 | 117.8 | ||||
| 187 | S | 37 | Very low | 38.5 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 44.5 | 104.2 | 126.6 | -40.9 | 0 | 0 | 0 | 0 | 118.8 | E189 | S187-E189 VanDerWaalsContact C-N 3.33Å; S187-E189 PolarHBondContact O-N 3.16Å; S187-E189 VanDerWaalsContact O-N 3.07Å | |||
| 188 | S | 42.5 | Very low | 38.5 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -69.7 | 21.7 | -172.8 | -170.4 | 0 | 0 | 0 | 0 | 118.4 | ||
| 189 | E | 41.4 | Very low | 39.1 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -98.3 | 2.4 | -165.4 | -76.2 | -85.7 | 126.3 | 0 | 0 | 116.1 | S187 | S187-E189 VanDerWaalsContact C-N 3.33Å; S187-E189 PolarHBondContact O-N 3.16Å; S187-E189 VanDerWaalsContact O-N 3.07Å |
| 190 | L | 43.9 | Very low | 39.2 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -120.8 | 6.4 | -175.6 | -67.2 | 178.5 | 0 | 0 | 0 | 115.9 | ||
| 191 | L | 42.4 | Very low | 39.9 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -106 | 13.6 | -168.4 | -95.2 | 157.2 | 0 | 0 | 0 | 116 | ||||
| 192 | N | 43.2 | Very low | 40.2 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -108.2 | 55.2 | -172.8 | -160.8 | 25.9 | 0 | 0 | 0 | 115.1 | ||||
| 193 | C | 33.9 | Very low | 40.3 | Very low | 112 Ų | 112 | 135 Ų | 135 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -119.3 | 111.7 | 170.6 | -81.2 | 0 | 0 | 0 | 0 | 110.7 | L195 | C193-L195 VanDerWaalsContact C-N 3.32Å; C193-L195 PolarHBondContact O-N 2.93Å | ||
| 194 | P | 41.3 | Very low | 40.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -78.8 | 7.8 | -168 | -12.7 | 28.3 | 0 | 0 | 0 | 117 | F196 | P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.32Å | ||
| 195 | L | 43.8 | Very low | 40.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 12.9 | -170.7 | -79.5 | 170.3 | 0 | 0 | 0 | 115.4 | C193 L255 | C193-L195 VanDerWaalsContact C-N 3.32Å; C193-L195 PolarHBondContact O-N 2.93Å; L195-L255 HydrophobicContact CD1-CD1 4.45Å |
| 196 | F | 44.6 | Very low | 40.7 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 3.5 | -171.9 | -96.6 | -101.3 | 0 | 0 | 0 | 114.8 | P194 Y199 | P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.32Å; F196-Y199 HydrophobicContact CB-CE1 4.32Å; F196-Y199 AromaticContact CD1-CE1 3.55Å; F196-Y199 HydrophobicContact CD1-CE1 3.55Å; F196-Y199 HydrophobicContact CE1-CE1 4.21Å; F196-Y199 HydrophobicContact CG-CE1 4.25Å; F196-Y199 WeakPolarHBondContact O-CD1 3.42Å; F196-Y199 WeakPolarHBondContact O-CE1 3.49Å |
| 197 | A | 47 | Very low | 40.7 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -88 | -15.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 198 | D | 39.7 | Very low | 41.1 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | -110 | 4.2 | -167.6 | -66.5 | -31.2 | 0 | 0 | 0 | 116.4 | N200 | D198-N200 PolarHBondContact O-N 3.27Š| ||
| 199 | Y | 44.1 | Very low | 41.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 51% | 0.51 | 72% | 0.722 | S | S | . | * | trans | -84.9 | 105.1 | 168.7 | 67.1 | -80.9 | 0 | 0 | 0 | 109 | F196 L201 | F196-Y199 HydrophobicContact CB-CE1 4.32Å; F196-Y199 AromaticContact CD1-CE1 3.55Å; F196-Y199 HydrophobicContact CD1-CE1 3.55Å; F196-Y199 HydrophobicContact CE1-CE1 4.21Å; F196-Y199 HydrophobicContact CG-CE1 4.25Å; F196-Y199 WeakPolarHBondContact O-CD1 3.42Å; F196-Y199 WeakPolarHBondContact O-CE1 3.49Å; Y199-L201 HydrophobicContact CD2-CB 3.71Å; Y199-L201 HydrophobicContact CD2-CD1 3.88Å; Y199-L201 HydrophobicContact CD2-CG 4.23Å; Y199-L201 HydrophobicContact CE2-CB 3.69Å; Y199-L201 HydrophobicContact CE2-CD1 3.64Å; Y199-L201 HydrophobicContact CE2-CD2 3.82Å; Y199-L201 HydrophobicContact CE2-CG 3.86Å; Y199-L201 PolarHBondContact O-N 3.19Å | ||
| 200 | N | 39.4 | Very low | 42.4 | Very low | 97 Ų | 97 | 136 Ų | 136 | 52% | 0.519 | 72% | 0.716 | S | S | . | * | trans | -58.2 | 85.2 | 164.2 | -169.2 | -78.5 | 0 | 0 | 0 | 108.8 | D198 T202 T203 | D198-N200 PolarHBondContact O-N 3.27Å; N200-T202 PolarHBondContact O-N 3.49Å; N200-T202 PolarHBondContact OD1-OG1 3Å; N200-T203 PolarHBondContact OD1-OG1 3.44Å | ||
| 201 | L | 43.8 | Very low | 43.5 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -7.8 | -172.5 | -175.9 | 54.3 | 0 | 0 | 0 | 112.8 | Y199 | Y199-L201 HydrophobicContact CD2-CB 3.71Å; Y199-L201 HydrophobicContact CD2-CD1 3.88Å; Y199-L201 HydrophobicContact CD2-CG 4.23Å; Y199-L201 HydrophobicContact CE2-CB 3.69Å; Y199-L201 HydrophobicContact CE2-CD1 3.64Å; Y199-L201 HydrophobicContact CE2-CD2 3.82Å; Y199-L201 HydrophobicContact CE2-CG 3.86Å; Y199-L201 PolarHBondContact O-N 3.19Å |
| 202 | T | 40.8 | Very low | 45.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -7.1 | -168.1 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | N200 | N200-T202 PolarHBondContact O-N 3.49Å; N200-T202 PolarHBondContact OD1-OG1 3Å |
| 203 | T | 40.8 | Very low | 47.2 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | -4.4 | 177 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | N200 | N200-T203 PolarHBondContact OD1-OG1 3.44Š|
| 204 | V | 41.5 | Very low | 49.7 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 62% | 0.624 | 64% | 0.643 | S | S | * | * | trans | -102 | 20.1 | 178.2 | -163.5 | 0 | 0 | 0 | 0 | 112.6 | R206 | V204-R206 PolarHBondContact O-N 2.72Š| ||
| 205 | C | 31.5 | Very low | 52 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -77.6 | 30.7 | 169.1 | -77 | 0 | 0 | 0 | 0 | 113.2 | K207 | C205-K207 PolarHBondContact O-N 3.01Š| ||
| 206 | R | 36.3 | Very low | 54.3 | Low | 227 Ų | 227 | 113.9 Ų | 113.9 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -89.5 | 85.1 | 168.9 | -64.5 | -134 | -174 | -178.8 | 3.6 | 108.8 | V204 Q208 | V204-R206 PolarHBondContact O-N 2.72Å; R206-Q208 PolarHBondContact O-N 2.93Å |
| 207 | K | 35.5 | Very low | 56.4 | Low | 199 Ų | 199 | 108.3 Ų | 108.3 | 87% | 0.865 | 58% | 0.578 | S | S | * | * | trans | 39.6 | 81.7 | 164 | -69.1 | 161 | 178.5 | 172.6 | 0 | 113.1 | C205 S209 | C205-K207 PolarHBondContact O-N 3.01Å; K207-S209 PolarHBondContact O-N 3.33Å | ||
| 208 | Q | 45.6 | Very low | 58.5 | Low | 136 Ų | 136 | 105.1 Ų | 105.1 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | trans | -49.1 | 102.7 | 166.9 | -84 | -75.7 | 21.1 | 0 | 0 | 108.9 | R206 R210 | R206-Q208 PolarHBondContact O-N 2.93Å; Q208-R210 PolarHBondContact O-N 3.34Å | ||
| 209 | S | 48.3 | Very low | 61 | Low | 101 Ų | 101 | 103 Ų | 103 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 124.1 | -174 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | K207 P211 | K207-S209 PolarHBondContact O-N 3.33Å; S209-P211 WeakPolarHBondContact O-CD 3.31Å; S209-P211 VanDerWaalsContact O-N 3.12Å |
| 210 | R | 62.9 | Low | 63.3 | Low | 191 Ų | 191 | 98.4 Ų | 98.4 | 72% | 0.721 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 121.5 | 174.5 | 170.4 | 176.5 | -92.5 | -86.5 | 1.3 | 107.7 | Q208 T212 | Q208-R210 PolarHBondContact O-N 3.34Å; R210-T212 PolarHBondContact O-N 3.06Å; R210-T212 VanDerWaalsContact O-N 3.14Å; R210-T212 PolarHBondContact O-OG1 3.16Å |
| 211 | P | 68 | Low | 65.8 | Low | 94 Ų | 94 | 93.8 Ų | 93.8 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -57 | 126 | 176.7 | 21.3 | -30.7 | 0 | 0 | 0 | 108.7 | S209 | S209-P211 WeakPolarHBondContact O-CD 3.31Å; S209-P211 VanDerWaalsContact O-N 3.12Å |
| 212 | T | 79.3 | Confident | 68.2 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | trans | -110.7 | 132.7 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 108.1 | R210 | R210-T212 PolarHBondContact O-N 3.06Å; R210-T212 VanDerWaalsContact O-N 3.14Å; R210-T212 PolarHBondContact O-OG1 3.16Å | ||
| 213 | F | 82.5 | Confident | 70.7 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 23% | 0.232 | 46% | 0.46 | C | S | . | . | trans | -72.2 | 139.7 | 176.4 | -58.9 | -70.5 | 0 | 0 | 0 | 110.2 | Q217 I218 L221 M245 P263 W267 | F213-Q217 HydrophobicContact CB-CB 4.33Å; F213-I218 HydrophobicContact CB-CD1 4.04Å; F213-I218 HydrophobicContact CB-CG1 3.59Å; F213-L221 HydrophobicContact CD1-CD1 4.24Å; F213-L221 HydrophobicContact CG-CD1 4.32Å; F213-M245 HydrophobicContact CD1-CE 3.34Å; F213-M245 HydrophobicContact CE1-CE 3.21Å; F213-M245 HydrophobicContact CE1-SD 4.24Å; F213-M245 HydrophobicContact CZ-CE 4.44Å; F213-P263 HydrophobicContact CE1-CB 4.07Å; F213-P263 HydrophobicContact CZ-CB 4.06Å; F213-W267 AromaticContact CD2-CD1 3.65Å; F213-W267 HydrophobicContact CE2-CB 4.13Å; F213-W267 AromaticContact CE2-CD1 3.46Å; F213-W267 VanDerWaalsContact CE2-CD1 3.46Å; F213-W267 HydrophobicContact CE2-CG 4.15Å; F213-W267 HydrophobicContact CZ-CB 4.13Å | ||
| 214 | T | 88.1 | Confident | 73.1 | Confident | 70 Ų | 70 | 85 Ų | 85 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | trans | -69.6 | 158 | 173.1 | 68 | 0 | 0 | 0 | 0 | 110.6 | Q217 I218 | T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact O-N 3.09Å; T214-Q217 WeakPolarHBondContact OG1-CB 3.38Å; T214-Q217 VanDerWaalsContact OG1-CD 3.32Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.36Å; T214-Q217 PolarHBondContact OG1-N 2.8Å; T214-Q217 PolarHBondContact OG1-OE1 3.37Å; T214-I218 WeakPolarHBondContact O-CG1 3.39Å; T214-I218 PolarHBondContact O-N 3.12Å | ||
| 215 | G | 89.5 | Confident | 75.6 | Confident | 14 Ų | 14 | 80.3 Ų | 80.3 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -52.2 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q217 I218 F219 | G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 3.24Å; G215-I218 PolarHBondContact O-N 3.26Å; G215-F219 PolarHBondContact O-N 3.2Å |
| 216 | P | 90.8 | Very high | 78.4 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 174.4 | -26.4 | 35.7 | 0 | 0 | 0 | 113.9 | F219 V220 | P216-F219 PolarHBondContact O-N 2.99Å; P216-V220 WeakPolarHBondContact O-CG2 3.42Å; P216-V220 PolarHBondContact O-N 3.39Å; P216-V220 VanDerWaalsContact O-N 3.14Å |
| 217 | Q | 89.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 77.3 Ų | 77.3 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 175.6 | -74.8 | 171.3 | -19.1 | 0 | 0 | 111.2 | F213 T214 G215 F219 V220 L221 L243 | F213-Q217 HydrophobicContact CB-CB 4.33Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact O-N 3.09Å; T214-Q217 WeakPolarHBondContact OG1-CB 3.38Å; T214-Q217 VanDerWaalsContact OG1-CD 3.32Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.36Å; T214-Q217 PolarHBondContact OG1-N 2.8Å; T214-Q217 PolarHBondContact OG1-OE1 3.37Å; G215-Q217 VanDerWaalsContact C-N 3.34Å; G215-Q217 PolarHBondContact O-N 3.24Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 2.96Å; Q217-V220 PolarHBondContact O-N 2.92Å; Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 WeakPolarHBondContact O-CD1 3.35Å; Q217-L221 VanDerWaalsContact O-CG 3.22Å; Q217-L221 WeakPolarHBondContact O-CG 3.42Å; Q217-L221 PolarHBondContact O-N 2.64Å; Q217-L243 HydrophobicContact CB-CD2 3.93Å; Q217-L243 HydrophobicContact CG-CB 4.5Å; Q217-L243 HydrophobicContact CG-CD2 4.09Å; Q217-L243 PolarHBondContact NE2-O 3.2Å; Q217-L243 VanDerWaalsContact NE2-O 3.13Å; Q217-L243 WeakPolarHBondContact O-CD2 3.31Å |
| 218 | I | 90.8 | Very high | 83.7 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.8 | -66.2 | 163.3 | 0 | 0 | 0 | 110.5 | I63 L64 F213 T214 G215 V220 L221 E222 | I63-I218 HydrophobicContact CD1-CD1 4.3Å; I63-I218 HydrophobicContact CG2-CD1 3.78Å; L64-I218 HydrophobicContact CD2-CG2 4.39Å; F213-I218 HydrophobicContact CB-CD1 4.04Å; F213-I218 HydrophobicContact CB-CG1 3.59Å; T214-I218 WeakPolarHBondContact O-CG1 3.39Å; T214-I218 PolarHBondContact O-N 3.12Å; G215-I218 PolarHBondContact O-N 3.26Å; I218-V220 PolarHBondContact O-N 2.73Å; I218-L221 WeakPolarHBondContact O-CB 3.43Å; I218-L221 PolarHBondContact O-N 3.05Å; I218-E222 HydrophobicContact CG2-CG 4.16Å; I218-E222 WeakPolarHBondContact O-CB 3.42Å; I218-E222 WeakPolarHBondContact O-CG 3.25Å; I218-E222 PolarHBondContact O-N 2.94Å |
| 219 | F | 92.4 | Very high | 85.9 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 178.2 | 175.9 | -101.8 | 0 | 0 | 0 | 112.5 | G215 P216 Q217 E222 K223 | G215-F219 PolarHBondContact O-N 3.2Å; P216-F219 PolarHBondContact O-N 2.99Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 2.96Å; F219-E222 PolarHBondContact O-N 3Å; F219-K223 WeakPolarHBondContact O-CB 3.49Å; F219-K223 PolarHBondContact O-N 2.92Å |
| 220 | V | 91.7 | Very high | 88 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | P216 Q217 I218 T224 L239 L243 | P216-V220 WeakPolarHBondContact O-CG2 3.42Å; P216-V220 PolarHBondContact O-N 3.39Å; P216-V220 VanDerWaalsContact O-N 3.14Å; Q217-V220 PolarHBondContact O-N 2.92Å; I218-V220 PolarHBondContact O-N 2.73Å; V220-T224 WeakPolarHBondContact O-CB 3.31Å; V220-T224 PolarHBondContact O-N 3.33Å; V220-T224 PolarHBondContact O-OG1 3.29Å; V220-L239 HydrophobicContact CG1-CD1 3.85Å; V220-L243 HydrophobicContact CB-CD2 3.7Å; V220-L243 HydrophobicContact CG1-CD2 3.78Å; V220-L243 HydrophobicContact CG1-CG 4.39Å |
| 221 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.9 | -75.5 | 166.2 | 0 | 0 | 0 | 111.6 | F213 Q217 I218 T224 F225 L239 L243 M245 W267 F268 | F213-L221 HydrophobicContact CD1-CD1 4.24Å; F213-L221 HydrophobicContact CG-CD1 4.32Å; Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 WeakPolarHBondContact O-CD1 3.35Å; Q217-L221 VanDerWaalsContact O-CG 3.22Å; Q217-L221 WeakPolarHBondContact O-CG 3.42Å; Q217-L221 PolarHBondContact O-N 2.64Å; I218-L221 WeakPolarHBondContact O-CB 3.43Å; I218-L221 PolarHBondContact O-N 3.05Å; L221-T224 PolarHBondContact O-N 3.27Å; L221-F225 WeakPolarHBondContact O-CB 3.36Å; L221-F225 PolarHBondContact O-N 2.91Å; L221-L239 HydrophobicContact CD2-CD2 4.04Å; L221-L243 HydrophobicContact CD1-CD1 4.28Å; L221-L243 HydrophobicContact CD2-CD1 3.49Å; L221-L243 VanDerWaalsContact CD2-CD1 3.49Å; L221-L243 HydrophobicContact CG-CD1 3.69Å; L221-L243 HydrophobicContact CG-CD2 4.23Å; L221-M245 HydrophobicContact CD1-CE 4.47Å; L221-W267 HydrophobicContact CB-CD2 4.04Å; L221-W267 HydrophobicContact CB-CE3 4.01Å; L221-W267 HydrophobicContact CB-CH2 3.65Å; L221-W267 HydrophobicContact CB-CZ2 3.65Å; L221-W267 HydrophobicContact CB-CZ3 3.82Å; L221-W267 HydrophobicContact CD1-CD2 3.92Å; L221-W267 HydrophobicContact CD1-CG 3.94Å; L221-W267 HydrophobicContact CD2-CD2 4.15Å; L221-W267 HydrophobicContact CD2-CE3 3.98Å; L221-W267 HydrophobicContact CD2-CZ3 4.45Å; L221-W267 HydrophobicContact CG-CD2 4.28Å; L221-W267 HydrophobicContact CG-CE3 4.41Å; L221-F268 HydrophobicContact CD2-CE2 3.96Å |
| 222 | E | 93.8 | Very high | 90 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 178.2 | -75.1 | -173.1 | 170 | 0 | 0 | 112.1 | I60 L64 I218 F219 T224 F225 E226 W267 | I60-E222 VanDerWaalsContact CG2-OE1 3.24Å; I60-E222 WeakPolarHBondContact CG2-OE1 3.31Å; L64-E222 WeakPolarHBondContact CD1-OE2 3.45Å; L64-E222 WeakPolarHBondContact CD2-OE2 3.46Å; I218-E222 HydrophobicContact CG2-CG 4.16Å; I218-E222 WeakPolarHBondContact O-CB 3.42Å; I218-E222 WeakPolarHBondContact O-CG 3.25Å; I218-E222 PolarHBondContact O-N 2.94Å; F219-E222 PolarHBondContact O-N 3Å; E222-T224 PolarHBondContact O-N 2.92Å; E222-F225 WeakPolarHBondContact O-CB 3.5Å; E222-F225 PolarHBondContact O-N 3.26Å; E222-F225 VanDerWaalsContact O-N 3.07Å; E222-E226 PolarHBondContact O-N 3.38Å; E222-W267 HydrophobicContact CG-CH2 4.01Å; E222-W267 HydrophobicContact CG-CZ2 3.93Å |
| 223 | K | 93.1 | Very high | 89.9 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 176.4 | -173.6 | 170.3 | -175 | 172.5 | 0 | 111.9 | F219 Q227 | F219-K223 WeakPolarHBondContact O-CB 3.49Å; F219-K223 PolarHBondContact O-N 2.92Å; K223-Q227 WeakPolarHBondContact O-CG 3.34Å; K223-Q227 PolarHBondContact O-N 3.33Å |
| 224 | T | 91.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.2 | -37.2 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | V220 L221 E222 E226 Q227 T228 L231 L239 F268 | V220-T224 WeakPolarHBondContact O-CB 3.31Å; V220-T224 PolarHBondContact O-N 3.33Å; V220-T224 PolarHBondContact O-OG1 3.29Å; L221-T224 PolarHBondContact O-N 3.27Å; E222-T224 PolarHBondContact O-N 2.92Å; T224-E226 VanDerWaalsContact C-N 3.3Å; T224-E226 PolarHBondContact O-N 3.45Å; T224-Q227 PolarHBondContact O-N 3.05Å; T224-T228 PolarHBondContact O-N 3.09Å; T224-L231 HydrophobicContact CG2-CD2 4.02Å; T224-L239 HydrophobicContact CG2-CD1 4.32Å; T224-L239 HydrophobicContact CG2-CD2 3.89Å; T224-F268 HydrophobicContact CG2-CZ 4.23Å |
| 225 | F | 92.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 175.3 | -177.4 | -97.1 | 0 | 0 | 0 | 112.9 | L221 E222 T228 K229 W267 F268 R271 R272 W275 | L221-F225 WeakPolarHBondContact O-CB 3.36Å; L221-F225 PolarHBondContact O-N 2.91Å; E222-F225 WeakPolarHBondContact O-CB 3.5Å; E222-F225 PolarHBondContact O-N 3.26Å; E222-F225 VanDerWaalsContact O-N 3.07Å; F225-T228 WeakPolarHBondContact CA-O 2.96Å; F225-T228 CarbonylContact O-C 3.59Å; F225-K229 HydrophobicContact CD1-CD 4.06Å; F225-K229 HydrophobicContact CD2-CD 4.4Å; F225-K229 HydrophobicContact CE1-CD 3.51Å; F225-K229 HydrophobicContact CE2-CD 3.9Å; F225-K229 HydrophobicContact CG-CD 4.47Å; F225-K229 HydrophobicContact CZ-CD 3.42Å; F225-K229 VanDerWaalsContact CZ-CD 3.42Å; F225-K229 WeakPolarHBondContact O-CD 3.39Å; F225-K229 PolarHBondContact O-NZ 3.05Å; F225-W267 HydrophobicContact CB-CH2 4.11Å; F225-W267 HydrophobicContact CB-CZ3 3.96Å; F225-W267 HydrophobicContact CD2-CZ3 4.35Å; F225-W267 HydrophobicContact CG-CZ3 4.35Å; F225-F268 HydrophobicContact CB-CE1 4.25Å; F225-F268 HydrophobicContact CB-CZ 4.35Å; F225-F268 AromaticContact CD2-CD1 3.97Å; F225-F268 HydrophobicContact CD2-CD1 3.97Å; F225-F268 AromaticContact CD2-CE1 3.9Å; F225-F268 HydrophobicContact CD2-CE1 3.9Å; F225-R271 HydrophobicContact CD1-CG 3.7Å; F225-R271 HydrophobicContact CD2-CB 4.17Å; F225-R271 HydrophobicContact CD2-CG 3.56Å; F225-R271 HydrophobicContact CE1-CG 3.67Å; F225-R271 HydrophobicContact CE2-CB 4.04Å; F225-R271 HydrophobicContact CE2-CG 3.54Å; F225-R271 HydrophobicContact CG-CG 3.64Å; F225-R271 HydrophobicContact CZ-CB 4.41Å; F225-R271 HydrophobicContact CZ-CG 3.59Å; F225-R272 HydrophobicContact CE2-CG 3.94Å; F225-R272 HydrophobicContact CZ-CG 4.43Å; F225-W275 HydrophobicContact CE1-CB 4.41Å; F225-W275 HydrophobicContact CZ-CB 4.13Å; F225-W275 HydrophobicContact CZ-CG 4.4Å |
| 226 | E | 91.8 | Very high | 89.6 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 173.8 | -75.5 | 174.1 | -179 | 0 | 0 | 111.2 | E222 T224 K229 | E222-E226 PolarHBondContact O-N 3.38Å; T224-E226 VanDerWaalsContact C-N 3.3Å; T224-E226 PolarHBondContact O-N 3.45Å; E226-K229 PolarHBondContact O-NZ 2.95Å |
| 227 | Q | 91.5 | Very high | 89.2 | Confident | 138 Ų | 138 | 60.8 Ų | 60.8 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.2 | -46.2 | 177.6 | -65.8 | 174.5 | -20.3 | 0 | 0 | 112.4 | K223 T224 | K223-Q227 WeakPolarHBondContact O-CG 3.34Å; K223-Q227 PolarHBondContact O-N 3.33Å; T224-Q227 PolarHBondContact O-N 3.05Å |
| 228 | T | 91.1 | Very high | 89 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | trans | -139.7 | 123.2 | -178.7 | 115.3 | 0 | 0 | 0 | 0 | 110.6 | T224 F225 Y230 | T224-T228 PolarHBondContact O-N 3.09Å; F225-T228 WeakPolarHBondContact CA-O 2.96Å; F225-T228 CarbonylContact O-C 3.59Å; T228-Y230 VanDerWaalsContact C-N 3.26Å; T228-Y230 PolarHBondContact OG1-O 3.17Å | ||
| 229 | K | 91.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 27% | 0.265 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.5 | -18.3 | 177.7 | -56.7 | -68.9 | 176 | -78.5 | 0 | 112.1 | F225 E226 R272 | F225-K229 HydrophobicContact CD1-CD 4.06Å; F225-K229 HydrophobicContact CD2-CD 4.4Å; F225-K229 HydrophobicContact CE1-CD 3.51Å; F225-K229 HydrophobicContact CE2-CD 3.9Å; F225-K229 HydrophobicContact CG-CD 4.47Å; F225-K229 HydrophobicContact CZ-CD 3.42Å; F225-K229 VanDerWaalsContact CZ-CD 3.42Å; F225-K229 WeakPolarHBondContact O-CD 3.39Å; F225-K229 PolarHBondContact O-NZ 3.05Å; E226-K229 PolarHBondContact O-NZ 2.95Å; K229-R272 PolarHBondContact O-NH1 3.4Å |
| 230 | Y | 91.5 | Very high | 88.6 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -133.5 | 119.9 | -179.2 | -60.6 | -86.8 | 0 | 0 | 0 | 109.3 | T228 | T228-Y230 VanDerWaalsContact C-N 3.26Å; T228-Y230 PolarHBondContact OG1-O 3.17Å |
| 231 | L | 86.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | trans | -93.9 | 131 | 177.3 | -74 | 168.7 | 0 | 0 | 0 | 111.3 | T224 D235 R236 L239 F268 | T224-L231 HydrophobicContact CG2-CD2 4.02Å; L231-D235 HydrophobicContact CD2-CB 3.75Å; L231-R236 HydrophobicContact CB-CG 3.57Å; L231-R236 HydrophobicContact CD1-CG 4.07Å; L231-R236 HydrophobicContact CG-CG 4.49Å; L231-R236 PolarHBondContact O-NE 3.11Å; L231-R236 PolarHBondContact O-NH2 3.14Å; L231-R236 VanDerWaalsContact O-NH2 3.09Å; L231-L239 HydrophobicContact CD1-CD2 3.61Å; L231-F268 HydrophobicContact CD1-CD1 3.9Å; L231-F268 HydrophobicContact CD1-CD2 3.71Å; L231-F268 HydrophobicContact CD1-CE1 3.49Å; L231-F268 VanDerWaalsContact CD1-CE1 3.49Å; L231-F268 HydrophobicContact CD1-CE2 3.3Å; L231-F268 HydrophobicContact CD1-CG 4.02Å; L231-F268 HydrophobicContact CD1-CZ 3.19Å; L231-F268 HydrophobicContact CD2-CZ 4.49Å; L231-F268 HydrophobicContact CG-CD1 4.09Å; L231-F268 HydrophobicContact CG-CE1 3.61Å; L231-F268 HydrophobicContact CG-CE2 4.34Å; L231-F268 HydrophobicContact CG-CZ 3.78Å | ||
| 232 | A | 85.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | trans | -64.6 | 158.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V234 D235 R236 | A232-V234 VanDerWaalsContact C-N 3.28Å; A232-V234 PolarHBondContact O-N 3.02Å; A232-D235 PolarHBondContact O-N 3.28Å; A232-D235 VanDerWaalsContact O-N 3.16Å; A232-R236 WeakPolarHBondContact O-CG 3.46Å; A232-R236 PolarHBondContact O-N 2.98Å | ||
| 233 | G | 78.9 | Confident | 87.4 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.7 | -41.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R236 A237 | G233-R236 PolarHBondContact O-N 2.73Å; G233-A237 PolarHBondContact O-N 3.49Å |
| 234 | V | 82.3 | Confident | 86.7 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -44 | 178 | 179 | 0 | 0 | 0 | 0 | 111.6 | A232 R236 A237 K238 | A232-V234 VanDerWaalsContact C-N 3.28Å; A232-V234 PolarHBondContact O-N 3.02Å; V234-R236 VanDerWaalsContact C-N 3.29Å; V234-R236 PolarHBondContact O-N 3.04Å; V234-A237 VanDerWaalsContact O-CB 3.28Å; V234-A237 WeakPolarHBondContact O-CB 3.4Å; V234-A237 PolarHBondContact O-N 3.02Å; V234-K238 PolarHBondContact O-N 2.76Å; V234-K238 VanDerWaalsContact O-N 3.16Å |
| 235 | D | 85.8 | Confident | 85.6 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.2 | -31.8 | -179.4 | -60.7 | -37 | 0 | 0 | 0 | 111.9 | L231 A232 A237 K238 L239 | L231-D235 HydrophobicContact CD2-CB 3.75Å; A232-D235 PolarHBondContact O-N 3.28Å; A232-D235 VanDerWaalsContact O-N 3.16Å; D235-A237 VanDerWaalsContact C-N 3.26Å; D235-A237 PolarHBondContact O-N 3.31Å; D235-K238 PolarHBondContact O-N 3.33Å; D235-L239 WeakPolarHBondContact O-CB 3.44Å; D235-L239 PolarHBondContact O-N 2.89Å |
| 236 | R | 85.4 | Confident | 83.9 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 171.2 | -64.4 | 177.6 | -136 | 151.8 | 3.3 | 111.6 | L231 A232 G233 V234 L239 A240 F261 | L231-R236 HydrophobicContact CB-CG 3.57Å; L231-R236 HydrophobicContact CD1-CG 4.07Å; L231-R236 HydrophobicContact CG-CG 4.49Å; L231-R236 PolarHBondContact O-NE 3.11Å; L231-R236 PolarHBondContact O-NH2 3.14Å; L231-R236 VanDerWaalsContact O-NH2 3.09Å; A232-R236 WeakPolarHBondContact O-CG 3.46Å; A232-R236 PolarHBondContact O-N 2.98Å; G233-R236 PolarHBondContact O-N 2.73Å; V234-R236 VanDerWaalsContact C-N 3.29Å; V234-R236 PolarHBondContact O-N 3.04Å; R236-L239 PolarHBondContact O-N 3.4Å; R236-A240 WeakPolarHBondContact O-CB 3.06Å; R236-A240 PolarHBondContact O-N 2.71Å; R236-F261 HydrophobicContact CB-CD1 3.74Å; R236-F261 HydrophobicContact CB-CE1 4.2Å |
| 237 | A | 81.9 | Confident | 82 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -49.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | G233 V234 D235 L239 A240 A241 F261 | G233-A237 PolarHBondContact O-N 3.49Å; V234-A237 VanDerWaalsContact O-CB 3.28Å; V234-A237 WeakPolarHBondContact O-CB 3.4Å; V234-A237 PolarHBondContact O-N 3.02Å; D235-A237 VanDerWaalsContact C-N 3.26Å; D235-A237 PolarHBondContact O-N 3.31Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 2.79Å; A237-A240 PolarHBondContact O-N 3.41Å; A237-A241 WeakPolarHBondContact O-CB 3.49Å; A237-A241 PolarHBondContact O-N 3.27Å; A237-F261 HydrophobicContact CB-CE1 3.31Å; A237-F261 HydrophobicContact CB-CZ 3.51Å |
| 238 | K | 86.3 | Confident | 79.8 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.1 | -42.3 | 178.4 | -67.5 | 177.1 | 179.4 | 174.2 | 0 | 111.2 | V234 D235 A241 R242 | V234-K238 PolarHBondContact O-N 2.76Å; V234-K238 VanDerWaalsContact O-N 3.16Å; D235-K238 PolarHBondContact O-N 3.33Å; K238-A241 PolarHBondContact O-N 2.95Å; K238-R242 WeakPolarHBondContact O-CB 3.3Å; K238-R242 VanDerWaalsContact O-CG 3.28Å; K238-R242 WeakPolarHBondContact O-CG 3.4Å; K238-R242 PolarHBondContact O-N 3.39Å |
| 239 | L | 88.1 | Confident | 77.9 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.8 | -172.2 | 59.2 | 0 | 0 | 0 | 111.9 | V220 L221 T224 L231 D235 R236 A237 A241 R242 L243 F268 | V220-L239 HydrophobicContact CG1-CD1 3.85Å; L221-L239 HydrophobicContact CD2-CD2 4.04Å; T224-L239 HydrophobicContact CG2-CD1 4.32Å; T224-L239 HydrophobicContact CG2-CD2 3.89Å; L231-L239 HydrophobicContact CD1-CD2 3.61Å; D235-L239 WeakPolarHBondContact O-CB 3.44Å; D235-L239 PolarHBondContact O-N 2.89Å; R236-L239 PolarHBondContact O-N 3.4Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 2.79Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3.33Å; L239-R242 PolarHBondContact O-N 2.91Å; L239-L243 HydrophobicContact CD1-CD1 4.14Å; L239-L243 HydrophobicContact CD1-CG 4.33Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.49Å; L239-L243 WeakPolarHBondContact O-CB 3.24Å; L239-L243 WeakPolarHBondContact O-CD1 3.2Å; L239-L243 VanDerWaalsContact O-CG 3.23Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.43Å; L239-F268 HydrophobicContact CD2-CE2 3.57Å; L239-F268 HydrophobicContact CD2-CZ 3.92Å |
| 240 | A | 85.5 | Confident | 75.7 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R236 A237 L243 M245 | R236-A240 WeakPolarHBondContact O-CB 3.06Å; R236-A240 PolarHBondContact O-N 2.71Å; A237-A240 PolarHBondContact O-N 3.41Å; A240-L243 PolarHBondContact O-N 2.83Å; A240-M245 PolarHBondContact O-N 3.47Å |
| 241 | A | 82.8 | Confident | 73.6 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A237 K238 L239 L243 G244 | A237-A241 WeakPolarHBondContact O-CB 3.49Å; A237-A241 PolarHBondContact O-N 3.27Å; K238-A241 PolarHBondContact O-N 2.95Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3.33Å; A241-L243 VanDerWaalsContact C-N 3.29Å; A241-L243 PolarHBondContact O-N 2.92Å; A241-G244 PolarHBondContact O-N 3.28Å |
| 242 | R | 85.6 | Confident | 71.8 | Confident | 172 Ų | 172 | 70 Ų | 70 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.7 | -32.5 | 177.5 | -77 | 175 | 66.1 | -165.9 | 0.1 | 113.7 | K238 L239 G244 | K238-R242 WeakPolarHBondContact O-CB 3.3Å; K238-R242 VanDerWaalsContact O-CG 3.28Å; K238-R242 WeakPolarHBondContact O-CG 3.4Å; K238-R242 PolarHBondContact O-N 3.39Å; L239-R242 PolarHBondContact O-N 2.91Å; R242-G244 PolarHBondContact O-N 2.92Å |
| 243 | L | 85.4 | Confident | 70.1 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 7% | 0.068 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.9 | -179.6 | -69.9 | 167.2 | 0 | 0 | 0 | 113.1 | Q217 V220 L221 L239 A240 A241 M245 | Q217-L243 HydrophobicContact CB-CD2 3.93Å; Q217-L243 HydrophobicContact CG-CB 4.5Å; Q217-L243 HydrophobicContact CG-CD2 4.09Å; Q217-L243 PolarHBondContact NE2-O 3.2Å; Q217-L243 VanDerWaalsContact NE2-O 3.13Å; Q217-L243 WeakPolarHBondContact O-CD2 3.31Å; V220-L243 HydrophobicContact CB-CD2 3.7Å; V220-L243 HydrophobicContact CG1-CD2 3.78Å; V220-L243 HydrophobicContact CG1-CG 4.39Å; L221-L243 HydrophobicContact CD1-CD1 4.28Å; L221-L243 HydrophobicContact CD2-CD1 3.49Å; L221-L243 VanDerWaalsContact CD2-CD1 3.49Å; L221-L243 HydrophobicContact CG-CD1 3.69Å; L221-L243 HydrophobicContact CG-CD2 4.23Å; L239-L243 HydrophobicContact CD1-CD1 4.14Å; L239-L243 HydrophobicContact CD1-CG 4.33Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.49Å; L239-L243 WeakPolarHBondContact O-CB 3.24Å; L239-L243 WeakPolarHBondContact O-CD1 3.2Å; L239-L243 VanDerWaalsContact O-CG 3.23Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 3.43Å; A240-L243 PolarHBondContact O-N 2.83Å; A241-L243 VanDerWaalsContact C-N 3.29Å; A241-L243 PolarHBondContact O-N 2.92Å; L243-M245 HydrophobicContact CB-CE 3.92Å; L243-M245 HydrophobicContact CB-CG 3.87Å; L243-M245 HydrophobicContact CB-SD 4.18Å; L243-M245 HydrophobicContact CD1-CE 3.65Å; L243-M245 HydrophobicContact CD1-SD 4.14Å; L243-M245 HydrophobicContact CG-CE 4.31Å; L243-M245 PolarHBondContact O-N 2.9Å |
| 244 | G | 77.7 | Confident | 68.4 | Low | 40 Ų | 40 | 75 Ų | 75 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 30.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A241 R242 T246 | A241-G244 PolarHBondContact O-N 3.28Å; R242-G244 PolarHBondContact O-N 2.92Å; G244-T246 PolarHBondContact O-N 3.19Å |
| 245 | M | 68.8 | Low | 66.7 | Low | 18 Ų | 18 | 75.8 Ų | 75.8 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | trans | -73.2 | 74.5 | 174.5 | -69.7 | 179.1 | 178.9 | 0 | 0 | 107.8 | F213 L221 A240 L243 P263 | F213-M245 HydrophobicContact CD1-CE 3.34Å; F213-M245 HydrophobicContact CE1-CE 3.21Å; F213-M245 HydrophobicContact CE1-SD 4.24Å; F213-M245 HydrophobicContact CZ-CE 4.44Å; L221-M245 HydrophobicContact CD1-CE 4.47Å; A240-M245 PolarHBondContact O-N 3.47Å; L243-M245 HydrophobicContact CB-CE 3.92Å; L243-M245 HydrophobicContact CB-CG 3.87Å; L243-M245 HydrophobicContact CB-SD 4.18Å; L243-M245 HydrophobicContact CD1-CE 3.65Å; L243-M245 HydrophobicContact CD1-SD 4.14Å; L243-M245 HydrophobicContact CG-CE 4.31Å; L243-M245 PolarHBondContact O-N 2.9Å; M245-P263 HydrophobicContact SD-CB 4.3Å; M245-P263 HydrophobicContact SD-CG 4Å | ||
| 246 | T | 56.7 | Low | 65 | Low | 95 Ų | 95 | 77.7 Ų | 77.7 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | trans | -78.6 | 153.9 | -178.4 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | G244 S248 Q249 | G244-T246 PolarHBondContact O-N 3.19Å; T246-S248 PolarHBondContact O-N 3.28Å; T246-Q249 PolarHBondContact O-N 3.09Å | ||
| 247 | E | 51.9 | Low | 63.4 | Low | 100 Ų | 100 | 80.9 Ų | 80.9 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -39.2 | -36.8 | -168.7 | -161.7 | 176.9 | 148.3 | 0 | 0 | 115.1 | Q249 V250 K251 | E247-Q249 PolarHBondContact O-N 2.92Å; E247-V250 PolarHBondContact O-N 2.99Å; E247-V250 VanDerWaalsContact O-N 3.1Å; E247-K251 HydrophobicContact CG-CD 4.07Å; E247-K251 VanDerWaalsContact O-CB 3.3Å; E247-K251 WeakPolarHBondContact O-CB 3.35Å; E247-K251 PolarHBondContact O-N 3.09Å; E247-K251 IonicContact OE1-NZ 2.99Å; E247-K251 PolarHBondContact OE1-NZ 2.97Å |
| 248 | S | 46.4 | Very low | 62.2 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 68% | 0.678 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -69.5 | -27.2 | -173.2 | -51.2 | 0 | 0 | 0 | 0 | 115.7 | T246 V250 | T246-S248 PolarHBondContact O-N 3.28Å; S248-V250 PolarHBondContact O-N 3.17Å |
| 249 | Q | 50.6 | Low | 60.5 | Low | 95 Ų | 95 | 78.1 Ų | 78.1 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -77.9 | -15.2 | 173.7 | -69.9 | -169.9 | -52 | 0 | 0 | 112.8 | T246 E247 | T246-Q249 PolarHBondContact O-N 3.09Å; E247-Q249 PolarHBondContact O-N 2.92Å |
| 250 | V | 45.4 | Very low | 58.9 | Low | 26 Ų | 26 | 83.8 Ų | 83.8 | 16% | 0.158 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -26.7 | -168.9 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | E247 S248 V252 C259 P263 | E247-V250 PolarHBondContact O-N 2.99Å; E247-V250 VanDerWaalsContact O-N 3.1Å; S248-V250 PolarHBondContact O-N 3.17Å; V250-V252 VanDerWaalsContact C-N 3.26Å; V250-V252 PolarHBondContact O-N 3.21Å; V250-C259 HydrophobicContact CG1-CB 3.08Å; V250-C259 WeakPolarHBondContact CG1-O 3.06Å; V250-P263 HydrophobicContact CG2-CG 4.45Å |
| 251 | K | 47 | Very low | 57.8 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.2 | -179.2 | -161.9 | 132.3 | 176.6 | 165.4 | 0 | 114.2 | E247 G253 E256 | E247-K251 HydrophobicContact CG-CD 4.07Å; E247-K251 VanDerWaalsContact O-CB 3.3Å; E247-K251 WeakPolarHBondContact O-CB 3.35Å; E247-K251 PolarHBondContact O-N 3.09Å; E247-K251 IonicContact OE1-NZ 2.99Å; E247-K251 PolarHBondContact OE1-NZ 2.97Å; K251-G253 PolarHBondContact O-N 3.21Å; K251-E256 IonicContact NZ-OE1 2.84Å; K251-E256 PolarHBondContact NZ-OE1 3.37Å |
| 252 | V | 50.6 | Low | 57 | Low | 90 Ų | 90 | 86.1 Ų | 86.1 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 16 | -176.6 | -134 | 0 | 0 | 0 | 0 | 115.2 | V250 | V250-V252 VanDerWaalsContact C-N 3.26Å; V250-V252 PolarHBondContact O-N 3.21Å |
| 253 | G | 48.5 | Very low | 56.3 | Low | 53 Ų | 53 | 79.5 Ų | 79.5 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 171.1 | 9.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 119 | K251 | K251-G253 PolarHBondContact O-N 3.21Š|
| 254 | W | 44.5 | Very low | 56 | Low | 150 Ų | 150 | 78.9 Ų | 78.9 | 57% | 0.568 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -147 | 134.8 | -174.7 | -64.3 | 88.8 | 0 | 0 | 0 | 113 | S119 C259 | S119-W254 VanDerWaalsContact OG-CH2 3.31Å; S119-W254 WeakPolarHBondContact OG-CH2 3.31Å; W254-C259 HydrophobicContact CB-CB 4.12Å; W254-C259 WeakPolarHBondContact CB-SG 3.45Å; W254-C259 PolarHBondContact O-SG 2.79Å |
| 255 | L | 46.5 | Very low | 56.1 | Low | 113 Ų | 113 | 78.6 Ų | 78.6 | 59% | 0.592 | 41% | 0.413 | S | S | * | . | trans | -47.6 | 133.4 | -174.7 | -134.1 | 84.4 | 0 | 0 | 0 | 114.5 | L195 L257 K258 C259 | L195-L255 HydrophobicContact CD1-CD1 4.45Å; L255-L257 PolarHBondContact O-N 2.86Å; L255-K258 PolarHBondContact O-N 3.49Å; L255-C259 PolarHBondContact O-SG 3.01Å | ||
| 256 | E | 49.5 | Very low | 56.8 | Low | 108 Ų | 108 | 80.9 Ų | 80.9 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -12.2 | -159.3 | -157.3 | 152.7 | -138.6 | 0 | 0 | 119.2 | K251 | K251-E256 IonicContact NZ-OE1 2.84Å; K251-E256 PolarHBondContact NZ-OE1 3.37Å |
| 257 | L | 52.7 | Low | 58.4 | Low | 152 Ų | 152 | 77.8 Ų | 77.8 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -27.6 | -179.8 | -77.5 | 96.4 | 0 | 0 | 0 | 116.1 | L255 C259 | L255-L257 PolarHBondContact O-N 2.86Å; L257-C259 VanDerWaalsContact C-N 3.34Å |
| 258 | K | 56 | Low | 60.1 | Low | 100 Ų | 100 | 73.2 Ų | 73.2 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.1 | -176.8 | -80.9 | 179.5 | 177.6 | 171.6 | 0 | 113.4 | P123 Y127 L255 | P123-K258 PolarHBondContact O-NZ 3.09Å; P123-K258 VanDerWaalsContact O-NZ 3.09Å; Y127-K258 HydrophobicContact CD2-CD 4.46Å; L255-K258 PolarHBondContact O-N 3.49Å |
| 259 | C | 51.6 | Low | 62.1 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -97.1 | -22.9 | -156.2 | -46.8 | 0 | 0 | 0 | 0 | 113.1 | V250 W254 L255 L257 F261 L262 P263 | V250-C259 HydrophobicContact CG1-CB 3.08Å; V250-C259 WeakPolarHBondContact CG1-O 3.06Å; W254-C259 HydrophobicContact CB-CB 4.12Å; W254-C259 WeakPolarHBondContact CB-SG 3.45Å; W254-C259 PolarHBondContact O-SG 2.79Å; L255-C259 PolarHBondContact O-SG 3.01Å; L257-C259 VanDerWaalsContact C-N 3.34Å; C259-F261 PolarHBondContact O-N 3.36Å; C259-L262 PolarHBondContact O-N 3.27Å; C259-P263 WeakPolarHBondContact O-CD 3.32Å |
| 260 | K | 54.5 | Low | 64 | Low | 123 Ų | 123 | 72.3 Ų | 72.3 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -53.7 | -27.5 | 175.8 | -69.6 | -175.8 | 179.1 | 177.9 | 0 | 112.4 | ||
| 261 | F | 61.1 | Low | 66.3 | Low | 63 Ų | 63 | 73.8 Ų | 73.8 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -104.7 | -18.3 | -175.7 | -64.4 | -92.4 | 0 | 0 | 0 | 114.7 | R236 A237 C259 C264 A265 | R236-F261 HydrophobicContact CB-CD1 3.74Å; R236-F261 HydrophobicContact CB-CE1 4.2Å; A237-F261 HydrophobicContact CB-CE1 3.31Å; A237-F261 HydrophobicContact CB-CZ 3.51Å; C259-F261 PolarHBondContact O-N 3.36Å; F261-C264 PolarHBondContact O-N 3.41Å; F261-A265 WeakPolarHBondContact O-CB 3.5Å; F261-A265 PolarHBondContact O-N 3.27Å |
| 262 | L | 65.9 | Low | 68.5 | Low | 75 Ų | 75 | 70 Ų | 70 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | -171.3 | -157.9 | 65.6 | 0 | 0 | 0 | 114 | C259 C264 A265 V266 | C259-L262 PolarHBondContact O-N 3.27Å; L262-C264 VanDerWaalsContact C-N 3.34Å; L262-C264 PolarHBondContact O-N 3.14Å; L262-A265 PolarHBondContact O-N 3.42Å; L262-V266 HydrophobicContact CD1-CG2 4.37Å; L262-V266 HydrophobicContact CG-CG2 4.15Å; L262-V266 VanDerWaalsContact O-CB 3.31Å; L262-V266 WeakPolarHBondContact O-CB 3.35Å; L262-V266 WeakPolarHBondContact O-CG2 3.24Å; L262-V266 PolarHBondContact O-N 2.89Å |
| 263 | P | 72.1 | Confident | 70.4 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 21% | 0.214 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | -179.6 | 22.6 | -30.4 | 0 | 0 | 0 | 111.7 | F213 M245 V250 C259 W267 | F213-P263 HydrophobicContact CE1-CB 4.07Å; F213-P263 HydrophobicContact CZ-CB 4.06Å; M245-P263 HydrophobicContact SD-CB 4.3Å; M245-P263 HydrophobicContact SD-CG 4Å; V250-P263 HydrophobicContact CG2-CG 4.45Å; C259-P263 WeakPolarHBondContact O-CD 3.32Å; P263-W267 VanDerWaalsContact O-CB 3.25Å; P263-W267 WeakPolarHBondContact O-CB 3.4Å; P263-W267 PolarHBondContact O-N 2.8Å |
| 264 | C | 77.3 | Confident | 72.3 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | F261 L262 V266 W267 F268 | F261-C264 PolarHBondContact O-N 3.41Å; L262-C264 VanDerWaalsContact C-N 3.34Å; L262-C264 PolarHBondContact O-N 3.14Å; C264-V266 PolarHBondContact O-N 2.92Å; C264-W267 PolarHBondContact O-N 3.07Å; C264-F268 WeakPolarHBondContact O-CD2 3.29Å; C264-F268 PolarHBondContact O-N 3.31Å |
| 265 | A | 81.3 | Confident | 74.5 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | F261 L262 F268 Q269 | F261-A265 WeakPolarHBondContact O-CB 3.5Å; F261-A265 PolarHBondContact O-N 3.27Å; L262-A265 PolarHBondContact O-N 3.42Å; A265-F268 PolarHBondContact O-N 3.47Å; A265-Q269 WeakPolarHBondContact O-CB 3.47Å; A265-Q269 PolarHBondContact O-N 3.1Å |
| 266 | V | 83.1 | Confident | 76.7 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | L262 C264 Q269 N270 | L262-V266 HydrophobicContact CD1-CG2 4.37Å; L262-V266 HydrophobicContact CG-CG2 4.15Å; L262-V266 VanDerWaalsContact O-CB 3.31Å; L262-V266 WeakPolarHBondContact O-CB 3.35Å; L262-V266 WeakPolarHBondContact O-CG2 3.24Å; L262-V266 PolarHBondContact O-N 2.89Å; C264-V266 PolarHBondContact O-N 2.92Å; V266-Q269 PolarHBondContact O-N 3.44Å; V266-N270 WeakPolarHBondContact CG1-ND2 3.33Å; V266-N270 WeakPolarHBondContact O-CB 3.41Å; V266-N270 VanDerWaalsContact O-CG 3.25Å; V266-N270 PolarHBondContact O-N 2.85Å; V266-N270 PolarHBondContact O-ND2 2.85Å |
| 267 | W | 89.2 | Confident | 78.6 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.3 | -172.3 | 98.1 | 0 | 0 | 0 | 111.4 | F213 L221 E222 F225 P263 C264 Q269 N270 R271 | F213-W267 AromaticContact CD2-CD1 3.65Å; F213-W267 HydrophobicContact CE2-CB 4.13Å; F213-W267 AromaticContact CE2-CD1 3.46Å; F213-W267 VanDerWaalsContact CE2-CD1 3.46Å; F213-W267 HydrophobicContact CE2-CG 4.15Å; F213-W267 HydrophobicContact CZ-CB 4.13Å; L221-W267 HydrophobicContact CB-CD2 4.04Å; L221-W267 HydrophobicContact CB-CE3 4.01Å; L221-W267 HydrophobicContact CB-CH2 3.65Å; L221-W267 HydrophobicContact CB-CZ2 3.65Å; L221-W267 HydrophobicContact CB-CZ3 3.82Å; L221-W267 HydrophobicContact CD1-CD2 3.92Å; L221-W267 HydrophobicContact CD1-CG 3.94Å; L221-W267 HydrophobicContact CD2-CD2 4.15Å; L221-W267 HydrophobicContact CD2-CE3 3.98Å; L221-W267 HydrophobicContact CD2-CZ3 4.45Å; L221-W267 HydrophobicContact CG-CD2 4.28Å; L221-W267 HydrophobicContact CG-CE3 4.41Å; E222-W267 HydrophobicContact CG-CH2 4.01Å; E222-W267 HydrophobicContact CG-CZ2 3.93Å; F225-W267 HydrophobicContact CB-CH2 4.11Å; F225-W267 HydrophobicContact CB-CZ3 3.96Å; F225-W267 HydrophobicContact CD2-CZ3 4.35Å; F225-W267 HydrophobicContact CG-CZ3 4.35Å; P263-W267 VanDerWaalsContact O-CB 3.25Å; P263-W267 WeakPolarHBondContact O-CB 3.4Å; P263-W267 PolarHBondContact O-N 2.8Å; C264-W267 PolarHBondContact O-N 3.07Å; W267-Q269 VanDerWaalsContact C-N 3.33Å; W267-Q269 PolarHBondContact O-N 3.29Å; W267-N270 PolarHBondContact O-N 2.91Å; W267-R271 HydrophobicContact CD2-CB 4.44Å; W267-R271 HydrophobicContact CE3-CB 4.03Å; W267-R271 HydrophobicContact CH2-CB 4.08Å; W267-R271 HydrophobicContact CH2-CG 3.72Å; W267-R271 HydrophobicContact CZ2-CB 4.5Å; W267-R271 HydrophobicContact CZ2-CG 4.34Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.83Å; W267-R271 VanDerWaalsContact O-CB 3.24Å; W267-R271 WeakPolarHBondContact O-CB 3.25Å; W267-R271 PolarHBondContact O-N 2.93Å |
| 268 | F | 88.7 | Confident | 80.2 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.2 | -92.3 | -101.4 | 0 | 0 | 0 | 112.2 | L221 T224 F225 L231 L239 C264 A265 R271 R272 | L221-F268 HydrophobicContact CD2-CE2 3.96Å; T224-F268 HydrophobicContact CG2-CZ 4.23Å; F225-F268 HydrophobicContact CB-CE1 4.25Å; F225-F268 HydrophobicContact CB-CZ 4.35Å; F225-F268 AromaticContact CD2-CD1 3.97Å; F225-F268 HydrophobicContact CD2-CD1 3.97Å; F225-F268 AromaticContact CD2-CE1 3.9Å; F225-F268 HydrophobicContact CD2-CE1 3.9Å; L231-F268 HydrophobicContact CD1-CD1 3.9Å; L231-F268 HydrophobicContact CD1-CD2 3.71Å; L231-F268 HydrophobicContact CD1-CE1 3.49Å; L231-F268 VanDerWaalsContact CD1-CE1 3.49Å; L231-F268 HydrophobicContact CD1-CE2 3.3Å; L231-F268 HydrophobicContact CD1-CG 4.02Å; L231-F268 HydrophobicContact CD1-CZ 3.19Å; L231-F268 HydrophobicContact CD2-CZ 4.49Å; L231-F268 HydrophobicContact CG-CD1 4.09Å; L231-F268 HydrophobicContact CG-CE1 3.61Å; L231-F268 HydrophobicContact CG-CE2 4.34Å; L231-F268 HydrophobicContact CG-CZ 3.78Å; L239-F268 HydrophobicContact CD2-CE2 3.57Å; L239-F268 HydrophobicContact CD2-CZ 3.92Å; C264-F268 WeakPolarHBondContact O-CD2 3.29Å; C264-F268 PolarHBondContact O-N 3.31Å; A265-F268 PolarHBondContact O-N 3.47Å; F268-R271 PolarHBondContact O-N 2.99Å; F268-R272 WeakPolarHBondContact O-CB 3.42Å; F268-R272 WeakPolarHBondContact O-CG 3.39Å; F268-R272 PolarHBondContact O-N 3.4Å |
| 269 | Q | 87.2 | Confident | 81.6 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.7 | -175.8 | 63.2 | 18.8 | 0 | 0 | 112.1 | A265 V266 W267 R271 R272 T273 | A265-Q269 WeakPolarHBondContact O-CB 3.47Å; A265-Q269 PolarHBondContact O-N 3.1Å; V266-Q269 PolarHBondContact O-N 3.44Å; W267-Q269 VanDerWaalsContact C-N 3.33Å; W267-Q269 PolarHBondContact O-N 3.29Å; Q269-R271 VanDerWaalsContact C-N 3.33Å; Q269-R272 PolarHBondContact O-N 3.45Å; Q269-T273 PolarHBondContact O-N 3.05Å; Q269-T273 PolarHBondContact O-OG1 3.38Å |
| 270 | N | 92.4 | Very high | 83.3 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.8 | -72.3 | -23.9 | 0 | 0 | 0 | 111.3 | V266 W267 T273 K274 | V266-N270 WeakPolarHBondContact CG1-ND2 3.33Å; V266-N270 WeakPolarHBondContact O-CB 3.41Å; V266-N270 VanDerWaalsContact O-CG 3.25Å; V266-N270 PolarHBondContact O-N 2.85Å; V266-N270 PolarHBondContact O-ND2 2.85Å; W267-N270 PolarHBondContact O-N 2.91Å; N270-T273 WeakPolarHBondContact O-CB 3.16Å; N270-T273 PolarHBondContact O-N 3.27Å; N270-K274 PolarHBondContact O-N 3.03Å |
| 271 | R | 92.9 | Very high | 85 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.9 | -174 | 64.8 | -174.4 | 168.1 | 2.4 | 111.5 | F225 W267 F268 Q269 T273 K274 W275 | F225-R271 HydrophobicContact CD1-CG 3.7Å; F225-R271 HydrophobicContact CD2-CB 4.17Å; F225-R271 HydrophobicContact CD2-CG 3.56Å; F225-R271 HydrophobicContact CE1-CG 3.67Å; F225-R271 HydrophobicContact CE2-CB 4.04Å; F225-R271 HydrophobicContact CE2-CG 3.54Å; F225-R271 HydrophobicContact CG-CG 3.64Å; F225-R271 HydrophobicContact CZ-CB 4.41Å; F225-R271 HydrophobicContact CZ-CG 3.59Å; W267-R271 HydrophobicContact CD2-CB 4.44Å; W267-R271 HydrophobicContact CE3-CB 4.03Å; W267-R271 HydrophobicContact CH2-CB 4.08Å; W267-R271 HydrophobicContact CH2-CG 3.72Å; W267-R271 HydrophobicContact CZ2-CB 4.5Å; W267-R271 HydrophobicContact CZ2-CG 4.34Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.83Å; W267-R271 VanDerWaalsContact O-CB 3.24Å; W267-R271 WeakPolarHBondContact O-CB 3.25Å; W267-R271 PolarHBondContact O-N 2.93Å; F268-R271 PolarHBondContact O-N 2.99Å; Q269-R271 VanDerWaalsContact C-N 3.33Å; R271-T273 VanDerWaalsContact C-N 3.29Å; R271-T273 PolarHBondContact O-N 3.16Å; R271-K274 PolarHBondContact O-N 3.45Å; R271-W275 PolarHBondContact O-N 3.21Å |
| 272 | R | 91.9 | Very high | 86.2 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 172.4 | -77.9 | -167.3 | -64.6 | -88.7 | 1.4 | 112.6 | F225 K229 F268 Q269 W275 R276 | F225-R272 HydrophobicContact CE2-CG 3.94Å; F225-R272 HydrophobicContact CZ-CG 4.43Å; K229-R272 PolarHBondContact O-NH1 3.4Å; F268-R272 WeakPolarHBondContact O-CB 3.42Å; F268-R272 WeakPolarHBondContact O-CG 3.39Å; F268-R272 PolarHBondContact O-N 3.4Å; Q269-R272 PolarHBondContact O-N 3.45Å; R272-W275 PolarHBondContact O-N 3.06Å; R272-R276 PolarHBondContact O-N 3.42Å |
| 273 | T | 90.8 | Very high | 87.2 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | Q269 N270 R271 R276 K277 | Q269-T273 PolarHBondContact O-N 3.05Å; Q269-T273 PolarHBondContact O-OG1 3.38Å; N270-T273 WeakPolarHBondContact O-CB 3.16Å; N270-T273 PolarHBondContact O-N 3.27Å; R271-T273 VanDerWaalsContact C-N 3.29Å; R271-T273 PolarHBondContact O-N 3.16Å; T273-R276 PolarHBondContact OG1-NH2 3.09Å; T273-K277 WeakPolarHBondContact O-CG 3.3Å; T273-K277 PolarHBondContact O-N 2.95Å |
| 274 | K | 90 | Very high | 88 | Confident | 119 Ų | 119 | 73 Ų | 73 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.4 | -73 | -174.5 | 176.6 | -175 | 0 | 112.1 | N270 R271 K277 Q278 | N270-K274 PolarHBondContact O-N 3.03Å; R271-K274 PolarHBondContact O-N 3.45Å; K274-K277 PolarHBondContact O-N 3.35Å; K274-Q278 PolarHBondContact O-N 3.42Å |
| 275 | W | 90.3 | Very high | 88.6 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 30% | 0.303 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 178.3 | 174 | 68.7 | 0 | 0 | 0 | 112 | F225 R271 R272 K277 Q278 E279 | F225-W275 HydrophobicContact CE1-CB 4.41Å; F225-W275 HydrophobicContact CZ-CB 4.13Å; F225-W275 HydrophobicContact CZ-CG 4.4Å; R271-W275 PolarHBondContact O-N 3.21Å; R272-W275 PolarHBondContact O-N 3.06Å; W275-K277 VanDerWaalsContact C-N 3.32Å; W275-K277 PolarHBondContact O-N 3.48Å; W275-Q278 WeakPolarHBondContact O-CB 3.1Å; W275-Q278 PolarHBondContact O-N 3.4Å; W275-E279 VanDerWaalsContact CE2-OE1 3.22Å; W275-E279 WeakPolarHBondContact CH2-OE2 3.4Å; W275-E279 WeakPolarHBondContact CZ2-OE1 3.41Å; W275-E279 VanDerWaalsContact CZ2-OE2 3.25Å; W275-E279 WeakPolarHBondContact CZ2-OE2 3.35Å; W275-E279 PolarHBondContact NE1-OE1 3.37Å; W275-E279 PolarHBondContact O-N 2.92Å |
| 276 | R | 91 | Very high | 88.9 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 176.1 | -76.1 | -175.7 | -79.8 | 113.4 | -2.8 | 113.2 | R272 T273 Q278 E279 A280 | R272-R276 PolarHBondContact O-N 3.42Å; T273-R276 PolarHBondContact OG1-NH2 3.09Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; R276-E279 PolarHBondContact O-N 3Å; R276-A280 WeakPolarHBondContact O-CB 3.41Å; R276-A280 PolarHBondContact O-N 2.94Å |
| 277 | K | 90.5 | Very high | 89.1 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 65% | 0.652 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 175.4 | -74.3 | -178.4 | 177.4 | -169.8 | 0 | 112 | T273 K274 W275 S281 | T273-K277 WeakPolarHBondContact O-CG 3.3Å; T273-K277 PolarHBondContact O-N 2.95Å; K274-K277 PolarHBondContact O-N 3.35Å; W275-K277 VanDerWaalsContact C-N 3.32Å; W275-K277 PolarHBondContact O-N 3.48Å; K277-S281 WeakPolarHBondContact O-CB 3.4Å; K277-S281 PolarHBondContact O-N 2.8Å; K277-S281 PolarHBondContact O-OG 3.23Å |
| 278 | Q | 87.1 | Confident | 89.1 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 177.6 | -170.8 | 176.3 | 2.6 | 0 | 0 | 111 | K274 W275 R276 S281 Q282 | K274-Q278 PolarHBondContact O-N 3.42Å; W275-Q278 WeakPolarHBondContact O-CB 3.1Å; W275-Q278 PolarHBondContact O-N 3.4Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-S281 PolarHBondContact O-N 3.22Å; Q278-S281 PolarHBondContact O-OG 3.13Å; Q278-Q282 WeakPolarHBondContact O-CG 3.41Å; Q278-Q282 PolarHBondContact O-N 2.99Å |
| 279 | E | 85.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 90.8 Ų | 90.8 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.4 | -69.2 | -173.5 | 140.5 | 0 | 0 | 112.3 | W275 R276 S281 Q282 M283 | W275-E279 VanDerWaalsContact CE2-OE1 3.22Å; W275-E279 WeakPolarHBondContact CH2-OE2 3.4Å; W275-E279 WeakPolarHBondContact CZ2-OE1 3.41Å; W275-E279 VanDerWaalsContact CZ2-OE2 3.25Å; W275-E279 WeakPolarHBondContact CZ2-OE2 3.35Å; W275-E279 PolarHBondContact NE1-OE1 3.37Å; W275-E279 PolarHBondContact O-N 2.92Å; R276-E279 PolarHBondContact O-N 3Å; E279-S281 VanDerWaalsContact C-N 3.29Å; E279-S281 PolarHBondContact O-N 3.44Å; E279-Q282 PolarHBondContact O-N 3.39Å; E279-Q282 VanDerWaalsContact O-N 3.16Å; E279-M283 PolarHBondContact O-N 3.02Å |
| 280 | A | 87.4 | Confident | 89 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R276 M283 A284 | R276-A280 WeakPolarHBondContact O-CB 3.41Å; R276-A280 PolarHBondContact O-N 2.94Å; A280-M283 PolarHBondContact O-N 3.14Å; A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 3.39Å |
| 281 | S | 89.2 | Confident | 88.8 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 177.2 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | K277 Q278 E279 K285 | K277-S281 WeakPolarHBondContact O-CB 3.4Å; K277-S281 PolarHBondContact O-N 2.8Å; K277-S281 PolarHBondContact O-OG 3.23Å; Q278-S281 PolarHBondContact O-N 3.22Å; Q278-S281 PolarHBondContact O-OG 3.13Å; E279-S281 VanDerWaalsContact C-N 3.29Å; E279-S281 PolarHBondContact O-N 3.44Å; S281-K285 WeakPolarHBondContact O-CB 3.43Å; S281-K285 VanDerWaalsContact O-CG 3.31Å; S281-K285 WeakPolarHBondContact O-CG 3.32Å; S281-K285 PolarHBondContact O-N 2.77Å |
| 282 | Q | 87.4 | Confident | 88.6 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177 | -74.3 | -179.6 | 102.5 | 0 | 0 | 110.9 | Q278 E279 K285 A286 | Q278-Q282 WeakPolarHBondContact O-CG 3.41Å; Q278-Q282 PolarHBondContact O-N 2.99Å; E279-Q282 PolarHBondContact O-N 3.39Å; E279-Q282 VanDerWaalsContact O-N 3.16Å; Q282-K285 PolarHBondContact O-N 3.36Å; Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 2.76Å |
| 283 | M | 86.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 99.4 Ų | 99.4 | 72% | 0.719 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 175.2 | -170.3 | 177.6 | -74.8 | 0 | 0 | 111.8 | E279 A280 A286 K287 | E279-M283 PolarHBondContact O-N 3.02Å; A280-M283 PolarHBondContact O-N 3.14Å; M283-A286 PolarHBondContact O-N 3.19Å; M283-K287 VanDerWaalsContact O-CB 3.31Å; M283-K287 WeakPolarHBondContact O-CB 3.22Å; M283-K287 PolarHBondContact O-N 3.37Å |
| 284 | A | 88.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 101.9 Ų | 101.9 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A280 K287 S288 | A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 3.39Å; A284-K287 PolarHBondContact O-N 3.17Å; A284-S288 PolarHBondContact O-N 2.87Å; A284-S288 PolarHBondContact O-OG 3.45Å |
| 285 | K | 89.6 | Confident | 87.2 | Confident | 144 Ų | 144 | 105.2 Ų | 105.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 174.8 | -75.5 | 177.9 | 179 | -172 | 0 | 112.5 | S281 Q282 K287 S288 E289 | S281-K285 WeakPolarHBondContact O-CB 3.43Å; S281-K285 VanDerWaalsContact O-CG 3.31Å; S281-K285 WeakPolarHBondContact O-CG 3.32Å; S281-K285 PolarHBondContact O-N 2.77Å; Q282-K285 PolarHBondContact O-N 3.36Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 2.99Å; K285-S288 WeakPolarHBondContact CA-OG 3.38Å; K285-S288 PolarHBondContact O-N 3.27Å; K285-S288 PolarHBondContact O-OG 2.94Å; K285-E289 WeakPolarHBondContact O-CB 3.46Å; K285-E289 WeakPolarHBondContact O-CG 3.48Å; K285-E289 PolarHBondContact O-N 3.48Å |
| 286 | A | 87.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q282 M283 E289 Q290 | Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 2.76Å; M283-A286 PolarHBondContact O-N 3.19Å; A286-E289 PolarHBondContact O-N 3.31Å; A286-Q290 VanDerWaalsContact O-CB 3.27Å; A286-Q290 WeakPolarHBondContact O-CB 3.34Å; A286-Q290 PolarHBondContact O-N 2.94Å |
| 287 | K | 88.4 | Confident | 85.3 | Confident | 152 Ų | 152 | 103.1 Ų | 103.1 | 66% | 0.661 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 174.4 | -173.1 | 176.5 | -179.7 | 178.9 | 0 | 112.2 | M283 A284 K285 Q290 D291 | M283-K287 VanDerWaalsContact O-CB 3.31Å; M283-K287 WeakPolarHBondContact O-CB 3.22Å; M283-K287 PolarHBondContact O-N 3.37Å; A284-K287 PolarHBondContact O-N 3.17Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 2.99Å; K287-Q290 PolarHBondContact O-N 3.42Å; K287-D291 WeakPolarHBondContact O-CB 3.36Å; K287-D291 PolarHBondContact O-N 3.46Å |
| 288 | S | 87.6 | Confident | 84.1 | Confident | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.9 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | A284 K285 R292 | A284-S288 PolarHBondContact O-N 2.87Å; A284-S288 PolarHBondContact O-OG 3.45Å; K285-S288 WeakPolarHBondContact CA-OG 3.38Å; K285-S288 PolarHBondContact O-N 3.27Å; K285-S288 PolarHBondContact O-OG 2.94Å; S288-R292 VanDerWaalsContact O-CB 3.31Å; S288-R292 WeakPolarHBondContact O-CB 3.43Å; S288-R292 PolarHBondContact O-N 2.88Å |
| 289 | E | 89.1 | Confident | 82.8 | Confident | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 172.5 | -72.8 | -60.1 | 142.9 | 0 | 0 | 111.2 | K285 A286 R292 L293 | K285-E289 WeakPolarHBondContact O-CB 3.46Å; K285-E289 WeakPolarHBondContact O-CG 3.48Å; K285-E289 PolarHBondContact O-N 3.48Å; A286-E289 PolarHBondContact O-N 3.31Å; E289-R292 PolarHBondContact O-N 3.16Å; E289-R292 IonicContact OE1-NE 3.65Å; E289-R292 IonicContact OE2-CZ 3.84Å; E289-R292 IonicContact OE2-NE 2.81Å; E289-R292 PolarHBondContact OE2-NE 3.06Å; E289-R292 IonicContact OE2-NH2 2.92Å; E289-R292 PolarHBondContact OE2-NH2 3.33Å; E289-L293 WeakPolarHBondContact O-CB 3.47Å; E289-L293 VanDerWaalsContact O-CG 3.25Å; E289-L293 WeakPolarHBondContact O-CG 3.23Å; E289-L293 PolarHBondContact O-N 3.4Å |
| 290 | Q | 86.4 | Confident | 81.5 | Confident | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 174.6 | -175.8 | -178.7 | 0.9 | 0 | 0 | 111.7 | A286 K287 L293 M294 | A286-Q290 VanDerWaalsContact O-CB 3.27Å; A286-Q290 WeakPolarHBondContact O-CB 3.34Å; A286-Q290 PolarHBondContact O-N 2.94Å; K287-Q290 PolarHBondContact O-N 3.42Å; Q290-L293 PolarHBondContact O-N 2.7Å; Q290-M294 WeakPolarHBondContact O-CB 3.49Å; Q290-M294 PolarHBondContact O-N 2.84Å |
| 291 | D | 86.8 | Confident | 80 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.9 | -169.4 | 58.3 | 0 | 0 | 0 | 111.7 | K287 M294 R295 | K287-D291 WeakPolarHBondContact O-CB 3.36Å; K287-D291 PolarHBondContact O-N 3.46Å; D291-M294 WeakPolarHBondContact O-CB 3.34Å; D291-M294 PolarHBondContact O-N 3.08Å; D291-R295 WeakPolarHBondContact O-CB 3.49Å; D291-R295 PolarHBondContact O-N 3.44Å |
| 292 | R | 88.6 | Confident | 78.5 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 43% | 0.434 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -48 | 172.9 | -173 | 175.9 | 75.7 | 97.1 | -4.8 | 111.7 | S288 E289 M294 R295 E296 | S288-R292 VanDerWaalsContact O-CB 3.31Å; S288-R292 WeakPolarHBondContact O-CB 3.43Å; S288-R292 PolarHBondContact O-N 2.88Å; E289-R292 PolarHBondContact O-N 3.16Å; E289-R292 IonicContact OE1-NE 3.65Å; E289-R292 IonicContact OE2-CZ 3.84Å; E289-R292 IonicContact OE2-NE 2.81Å; E289-R292 PolarHBondContact OE2-NE 3.06Å; E289-R292 IonicContact OE2-NH2 2.92Å; E289-R292 PolarHBondContact OE2-NH2 3.33Å; R292-M294 VanDerWaalsContact C-N 3.29Å; R292-M294 PolarHBondContact O-N 3.39Å; R292-R295 PolarHBondContact O-N 3.32Å; R292-E296 WeakPolarHBondContact CG-OE1 3.28Å; R292-E296 IonicContact CZ-OE1 3.88Å; R292-E296 IonicContact NH1-OE1 2.7Å; R292-E296 PolarHBondContact NH1-OE1 3.47Å; R292-E296 IonicContact NH1-OE2 3.35Å; R292-E296 WeakPolarHBondContact O-CB 3.49Å; R292-E296 WeakPolarHBondContact O-CG 3.28Å; R292-E296 PolarHBondContact O-N 3.07Å |
| 293 | L | 85.5 | Confident | 77.2 | Confident | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65 | -33.3 | 176.2 | -70.6 | 174 | 0 | 0 | 0 | 112.1 | E289 Q290 S297 | E289-L293 WeakPolarHBondContact O-CB 3.47Å; E289-L293 VanDerWaalsContact O-CG 3.25Å; E289-L293 WeakPolarHBondContact O-CG 3.23Å; E289-L293 PolarHBondContact O-N 3.4Å; Q290-L293 PolarHBondContact O-N 2.7Å; L293-S297 PolarHBondContact O-N 3.41Å |
| 294 | M | 80.8 | Confident | 75.8 | Confident | 97 Ų | 97 | 114.3 Ų | 114.3 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -55.6 | 169.6 | -120.6 | -173.5 | 170.6 | 0 | 0 | 109.3 | Q290 D291 R292 E296 S297 W300 | Q290-M294 WeakPolarHBondContact O-CB 3.49Å; Q290-M294 PolarHBondContact O-N 2.84Å; D291-M294 WeakPolarHBondContact O-CB 3.34Å; D291-M294 PolarHBondContact O-N 3.08Å; R292-M294 VanDerWaalsContact C-N 3.29Å; R292-M294 PolarHBondContact O-N 3.39Å; M294-E296 VanDerWaalsContact C-N 3.29Å; M294-E296 PolarHBondContact O-N 3.09Å; M294-S297 VanDerWaalsContact O-CB 3.29Å; M294-S297 WeakPolarHBondContact O-CB 3.18Å; M294-S297 PolarHBondContact O-N 3.33Å; M294-W300 HydrophobicContact CE-CZ2 3.59Å; M294-W300 HydrophobicContact CG-CZ2 3.92Å; M294-W300 PolarHBondContact O-NE1 3.17Å; M294-W300 VanDerWaalsContact O-NE1 3.1Å; M294-W300 HydrophobicContact SD-CH2 4.46Å; M294-W300 HydrophobicContact SD-CZ2 3.5Å; M294-W300 VanDerWaalsContact SD-CZ2 3.5Å |
| 295 | R | 77.5 | Confident | 74.3 | Confident | 189 Ų | 189 | 116.4 Ų | 116.4 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.9 | -33.8 | -178.1 | -175.3 | 177.5 | -75.7 | -164.2 | -4.4 | 113.8 | D291 R292 S297 | D291-R295 WeakPolarHBondContact O-CB 3.49Å; D291-R295 PolarHBondContact O-N 3.44Å; R292-R295 PolarHBondContact O-N 3.32Å; R295-S297 VanDerWaalsContact C-N 3.29Å |
| 296 | E | 75.1 | Confident | 72.7 | Confident | 114 Ų | 114 | 119.1 Ų | 119.1 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.3 | -11.2 | 176.5 | -72.3 | 174.9 | -169.7 | 0 | 0 | 113.1 | R292 M294 | R292-E296 WeakPolarHBondContact CG-OE1 3.28Å; R292-E296 IonicContact CZ-OE1 3.88Å; R292-E296 IonicContact NH1-OE1 2.7Å; R292-E296 PolarHBondContact NH1-OE1 3.47Å; R292-E296 IonicContact NH1-OE2 3.35Å; R292-E296 WeakPolarHBondContact O-CB 3.49Å; R292-E296 WeakPolarHBondContact O-CG 3.28Å; R292-E296 PolarHBondContact O-N 3.07Å; M294-E296 VanDerWaalsContact C-N 3.29Å; M294-E296 PolarHBondContact O-N 3.09Å |
| 297 | S | 67 | Low | 71.1 | Confident | 41 Ų | 41 | 124 Ų | 124 | 29% | 0.287 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -69.4 | 127.5 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | L293 M294 R295 E299 W300 | L293-S297 PolarHBondContact O-N 3.41Å; M294-S297 VanDerWaalsContact O-CB 3.29Å; M294-S297 WeakPolarHBondContact O-CB 3.18Å; M294-S297 PolarHBondContact O-N 3.33Å; R295-S297 VanDerWaalsContact C-N 3.29Å; S297-E299 PolarHBondContact O-N 2.81Å; S297-W300 PolarHBondContact O-N 3.35Å |
| 298 | P | 64.3 | Low | 69.5 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.8 | -22.4 | 179.9 | -26.4 | 33.6 | 0 | 0 | 0 | 114.5 | W300 | P298-W300 VanDerWaalsContact C-N 3.33Å; P298-W300 PolarHBondContact O-N 3.18Å |
| 299 | E | 61.1 | Low | 67.8 | Low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -19.3 | 178.9 | -62.3 | -159 | 153.6 | 0 | 0 | 114.5 | S297 S302 | S297-E299 PolarHBondContact O-N 2.81Å; E299-S302 PolarHBondContact O-N 2.95Å |
| 300 | W | 57.4 | Low | 66.1 | Low | 121 Ų | 121 | 132 Ų | 132 | 46% | 0.458 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.6 | -30.7 | 176.3 | -80.8 | 86.3 | 0 | 0 | 0 | 113.1 | M294 S297 P298 S302 R303 | M294-W300 HydrophobicContact CE-CZ2 3.59Å; M294-W300 HydrophobicContact CG-CZ2 3.92Å; M294-W300 PolarHBondContact O-NE1 3.17Å; M294-W300 VanDerWaalsContact O-NE1 3.1Å; M294-W300 HydrophobicContact SD-CH2 4.46Å; M294-W300 HydrophobicContact SD-CZ2 3.5Å; M294-W300 VanDerWaalsContact SD-CZ2 3.5Å; S297-W300 PolarHBondContact O-N 3.35Å; P298-W300 VanDerWaalsContact C-N 3.33Å; P298-W300 PolarHBondContact O-N 3.18Å; W300-S302 PolarHBondContact O-N 3.38Å; W300-R303 PolarHBondContact O-N 3.36Å |
| 301 | H | 55.2 | Low | 64.6 | Low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70 | -23.1 | 176.2 | -68.2 | 85.4 | 0 | 0 | 0 | 111.6 | R303 | H301-R303 VanDerWaalsContact C-N 3.34Å |
| 302 | S | 59.3 | Low | 63.4 | Low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -0.7 | 176.4 | -51.4 | 0 | 0 | 0 | 0 | 114.5 | E299 W300 | E299-S302 PolarHBondContact O-N 2.95Å; W300-S302 PolarHBondContact O-N 3.38Å |
| 303 | R | 58.6 | Low | 62.1 | Low | 193 Ų | 193 | 138.7 Ų | 138.7 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 9.2 | 177.4 | -83.8 | -167.6 | -158.1 | -155.3 | 4.5 | 114.6 | W300 H301 P305 | W300-R303 PolarHBondContact O-N 3.36Å; H301-R303 VanDerWaalsContact C-N 3.34Å; R303-P305 VanDerWaalsContact O-CD 3.24Å; R303-P305 WeakPolarHBondContact O-CD 3.45Å |
| 304 | L | 57.4 | Low | 60.8 | Low | 138 Ų | 138 | 140.6 Ų | 140.6 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -67.4 | 120.1 | 166.2 | -71.3 | 179.5 | 0 | 0 | 0 | 108.2 | E306 | L304-E306 PolarHBondContact O-N 3.46Š|
| 305 | P | 56.9 | Low | 59.7 | Low | 105 Ų | 105 | 143.2 Ų | 143.2 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -60.7 | 114.9 | 166.7 | -14.4 | 29.5 | 0 | 0 | 0 | 107.2 | R303 E307 | R303-P305 VanDerWaalsContact O-CD 3.24Å; R303-P305 WeakPolarHBondContact O-CD 3.45Å; P305-E307 HydrophobicContact CB-CB 4.24Å; P305-E307 PolarHBondContact O-N 3.13Å | ||
| 306 | E | 56.6 | Low | 58.5 | Low | 200 Ų | 200 | 140.3 Ų | 140.3 | 94% | 0.935 | 72% | 0.715 | S | S | * | * | trans | -57.4 | 81.8 | 152.9 | -93.4 | -92.5 | 164.3 | 0 | 0 | 106.9 | L304 | L304-E306 PolarHBondContact O-N 3.46Š| ||
| 307 | E | 54.3 | Low | 57.4 | Low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -143.2 | 70.7 | 175.1 | -150.2 | -176.4 | -168.7 | 0 | 0 | 109.6 | P305 | P305-E307 HydrophobicContact CB-CB 4.24Å; P305-E307 PolarHBondContact O-N 3.13Å | ||
| 308 | Y | 53.2 | Low | 56.8 | Low | 222 Ų | 222 | 149.3 Ų | 149.3 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -154.1 | 79.5 | 135.7 | -150.9 | -98.1 | 0 | 0 | 0 | 108.7 | ||||
| 309 | S | 53.3 | Low | 56.2 | Low | 91 Ų | 91 | 152.8 Ų | 152.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -74.2 | 143 | 168 | 24.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 310 | D | 52.2 | Low | 55.8 | Low | 157 Ų | 157 | 153.7 Ų | 153.7 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | 36.5 | 102.5 | 150.8 | -82.9 | -56.8 | 0 | 0 | 0 | 119.5 | ||||
| 311 | V | 54.9 | Low | 55.6 | Low | 208 Ų | 208 | 156.6 Ų | 156.6 | 100% | 1.261 | 80% | 0.802 | S | S | * | * | -147.5 | 0 | 125.1 | -175.5 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 311 of 311 residues in 121.2 ms
(Link to these results)