| 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 | 33.7 | Very low | 30.4 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 100% | 1.118 | 81% | 0.813 | S | S | * | * | 0 | 86.6 | 0 | -162.7 | 174.1 | -171.9 | 0 | 0 | 107.1 | |||||
| 2 | F | 29.4 | Very low | 30 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -138.2 | 88.9 | 169 | -82.3 | -75.5 | 0 | 0 | 0 | 104.4 | ||||
| 3 | V | 34.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -86.7 | 102.3 | 167.8 | 179 | 0 | 0 | 0 | 0 | 103.7 | D5 | V3-D5 PolarHBondContact O-N 2.86Š| ||
| 4 | S | 31.4 | Very low | 29.4 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -75.9 | 105.3 | 172.4 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | V6 | S4-V6 PolarHBondContact O-N 3.39Š| ||
| 5 | D | 31 | Very low | 29.1 | Very low | 136 Ų | 136 | 157.1 Ų | 157.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -52.8 | 115.5 | 162.9 | -71.1 | -45.7 | 0 | 0 | 0 | 108.9 | V3 | V3-D5 PolarHBondContact O-N 2.86Š| ||
| 6 | V | 32.2 | Very low | 29 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -96.1 | 95.2 | 166.5 | 180 | 0 | 0 | 0 | 0 | 105.4 | S4 A8 | S4-V6 PolarHBondContact O-N 3.39Å; V6-A8 PolarHBondContact O-N 3.29Å | ||
| 7 | D | 29.2 | Very low | 28.7 | Very low | 137 Ų | 137 | 153.9 Ų | 153.9 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -46.4 | 126.7 | 177.6 | -76.1 | -48 | 0 | 0 | 0 | 111.9 | F9 | D7-F9 PolarHBondContact O-N 3.04Š| ||
| 8 | A | 31.9 | Very low | 28.7 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -55.5 | 124.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V6 H10 | V6-A8 PolarHBondContact O-N 3.29Å; A8-H10 PolarHBondContact O-N 2.95Å | ||
| 9 | F | 25.3 | Very low | 28.3 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -55.2 | 95.7 | 174.9 | -93.1 | -104.1 | 0 | 0 | 0 | 110.6 | D7 V11 | D7-F9 PolarHBondContact O-N 3.04Å; F9-V11 PolarHBondContact O-N 3.17Å; F9-V11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | H | 26.5 | Very low | 28.1 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 96.2 | 159.4 | -83.8 | -75.8 | 0 | 0 | 0 | 108.1 | A8 N12 | A8-H10 PolarHBondContact O-N 2.95Å; H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.94Å | ||
| 11 | V | 28.9 | Very low | 27.7 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -70 | 95.2 | 164.7 | 176.4 | 0 | 0 | 0 | 0 | 107 | F9 R13 | F9-V11 PolarHBondContact O-N 3.17Å; F9-V11 VanDerWaalsContact O-N 3.08Å; V11-R13 PolarHBondContact O-N 2.86Å | ||
| 12 | N | 25.4 | Very low | 27.3 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -53.1 | 96.2 | 166.2 | -73.5 | -38.5 | 0 | 0 | 0 | 109.3 | H10 T14 | H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.94Å; N12-T14 PolarHBondContact O-N 2.83Å | ||
| 13 | R | 26.4 | Very low | 27 | Very low | 238 Ų | 238 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 96.1 | 163.8 | -165 | 171 | -175.3 | 163.3 | -0.4 | 106.7 | V11 E15 | V11-R13 PolarHBondContact O-N 2.86Å; R13-E15 PolarHBondContact O-N 3.06Å | ||
| 14 | T | 25.7 | Very low | 26.6 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -52 | 121.8 | 174.9 | 19.9 | 0 | 0 | 0 | 0 | 111.4 | N12 A16 | N12-T14 PolarHBondContact O-N 2.83Å; T14-A16 PolarHBondContact O-N 3.4Å | ||
| 15 | E | 24.2 | Very low | 26.3 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 118.2 | 161.3 | -63.7 | 171.8 | 164.3 | 0 | 0 | 108 | R13 | R13-E15 PolarHBondContact O-N 3.06Š| ||
| 16 | A | 28.7 | Very low | 26.1 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -129.9 | 106 | 166 | 0 | 0 | 0 | 0 | 0 | 107.5 | T14 | T14-A16 PolarHBondContact O-N 3.4Š| ||
| 17 | E | 23 | Very low | 25.7 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -58 | 139.1 | 176.7 | -57.8 | 165.8 | 140.5 | 0 | 0 | 111.2 | ||||
| 18 | T | 28.9 | Very low | 25.6 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -159.5 | 119.6 | 138.9 | 3.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | W | 22 | Very low | 25.2 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -84.6 | 134.2 | -176.6 | -64.3 | 36.4 | 0 | 0 | 0 | 109.1 | ||||
| 20 | T | 23.5 | Very low | 25.4 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -136 | 113.4 | 154.9 | 21.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 21 | T | 20.9 | Very low | 25.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 124.7 | -176.7 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | F | 25.1 | Very low | 25.1 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -152.4 | 102.3 | 151.9 | -80.4 | -80.5 | 0 | 0 | 0 | 104 | ||||
| 23 | S | 22.6 | Very low | 25 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | 42.6 | 108.4 | 67.8 | -147.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 24 | T | 24.8 | Very low | 25 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | -170.9 | 140.3 | 43.8 | -7.2 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 25 | D | 26.1 | Very low | 25.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 178.1 | 132.1 | 84.6 | -128.3 | -18.4 | 0 | 0 | 0 | 110.9 | |||||
| 26 | Q | 26 | Very low | 25 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 36.9 | 102.8 | 141.6 | -67.8 | -179.7 | 23.4 | 0 | 0 | 122.6 | ||||
| 27 | T | 24.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 33 | 104.6 | 115.5 | 59.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 28 | K | 27 | Very low | 24.7 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -148.6 | 103.2 | 131 | -110.2 | 176.7 | -177.2 | -178.5 | 0 | 109.4 | ||||
| 29 | S | 24.1 | Very low | 24.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 134 | 157.7 | 56.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 30 | D | 28.3 | Very low | 24.5 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -160.4 | 101.3 | 142.1 | -86.5 | -32.5 | 0 | 0 | 0 | 105.7 | ||||
| 31 | V | 24.3 | Very low | 24.5 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 76.4 | 112.3 | 103.6 | 176 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 32 | L | 24.4 | Very low | 24.6 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -60.7 | 158.1 | 171.1 | -69.1 | 157.8 | 0 | 0 | 0 | 112.4 | ||||
| 33 | A | 25 | Very low | 24.7 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 78.6 | 111.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 34 | S | 25.9 | Very low | 24.9 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -173.5 | 126.1 | 121.1 | -101.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 35 | D | 26.8 | Very low | 24.9 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 74.7 | 107.8 | 139.5 | -53 | -27 | 0 | 0 | 0 | 120.6 | ||||
| 36 | E | 22.5 | Very low | 24.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -25.1 | 128.4 | 144.4 | -68.3 | 175.2 | 126.4 | 0 | 0 | 113.9 | ||||
| 37 | I | 23.1 | Very low | 24.7 | Very low | 145 Ų | 145 | 134 Ų | 134 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -128.5 | 86.3 | 143.3 | -56.2 | 179.5 | 0 | 0 | 0 | 106.6 | L39 | I37-L39 VanDerWaalsContact C-N 3.28Å; I37-L39 HydrophobicContact CG2-CD1 3.93Å; I37-L39 HydrophobicContact CG2-CG 3.81Å; I37-L39 PolarHBondContact O-N 3.31Å | ||
| 38 | V | 22.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 91.3 | 160.6 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | L40 | V38-L40 VanDerWaalsContact C-N 3.29Å; V38-L40 HydrophobicContact CG1-CG 4.29Å; V38-L40 PolarHBondContact O-N 3.06Å | ||
| 39 | L | 23.2 | Very low | 24.4 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 90.5 | 168.8 | -95 | 148.7 | 0 | 0 | 0 | 108.3 | I37 S41 | I37-L39 VanDerWaalsContact C-N 3.28Å; I37-L39 HydrophobicContact CG2-CD1 3.93Å; I37-L39 HydrophobicContact CG2-CG 3.81Å; I37-L39 PolarHBondContact O-N 3.31Å; L39-S41 PolarHBondContact O-N 3.16Å | ||
| 40 | L | 24 | Very low | 24.3 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -63.1 | 85.2 | 160.3 | -73.2 | 162.6 | 0 | 0 | 0 | 108.1 | V38 S42 | V38-L40 VanDerWaalsContact C-N 3.29Å; V38-L40 HydrophobicContact CG1-CG 4.29Å; V38-L40 PolarHBondContact O-N 3.06Å; L40-S42 VanDerWaalsContact C-N 3.25Å; L40-S42 PolarHBondContact O-N 2.9Å | ||
| 41 | S | 23.6 | Very low | 24 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -71.6 | 89.6 | 166.9 | 61.8 | 0 | 0 | 0 | 0 | 108.3 | L39 V43 | L39-S41 PolarHBondContact O-N 3.16Å; S41-V43 PolarHBondContact O-N 3.25Å; S41-V43 VanDerWaalsContact O-N 3.12Å | ||
| 42 | S | 22.8 | Very low | 24 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 103 | 155.7 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | L40 | L40-S42 VanDerWaalsContact C-N 3.25Å; L40-S42 PolarHBondContact O-N 2.9Å | ||
| 43 | V | 27.5 | Very low | 23.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -132 | 98.9 | 170 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | S41 | S41-V43 PolarHBondContact O-N 3.25Å; S41-V43 VanDerWaalsContact O-N 3.12Å | ||
| 44 | D | 26.4 | Very low | 23.7 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 56.9 | 110.8 | 143.1 | -59.1 | -29.5 | 0 | 0 | 0 | 119.3 | T46 | D44-T46 PolarHBondContact O-N 2.9Š| ||
| 45 | D | 24.5 | Very low | 23.8 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -41.9 | 77.9 | 151.8 | -68.9 | -44.4 | 0 | 0 | 0 | 112.7 | T47 | D45-T47 PolarHBondContact O-N 3.46Š| ||
| 46 | T | 24.6 | Very low | 23.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -76.1 | 82.1 | 158.7 | 54.9 | 0 | 0 | 0 | 0 | 108 | D44 L48 | D44-T46 PolarHBondContact O-N 2.9Å; T46-L48 PolarHBondContact O-N 2.8Å | ||
| 47 | T | 24.1 | Very low | 23.9 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | -43.6 | 103.2 | 155.6 | 44 | 0 | 0 | 0 | 0 | 108.9 | D45 L49 | D45-T47 PolarHBondContact O-N 3.46Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 3.21Å | ||
| 48 | L | 23.4 | Very low | 24 | Very low | 159 Ų | 159 | 125 Ų | 125 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -66.9 | 97 | 169.6 | -73.7 | 172.1 | 0 | 0 | 0 | 107.2 | T46 V50 | T46-L48 PolarHBondContact O-N 2.8Å; L48-V50 PolarHBondContact O-N 3.45Å | ||
| 49 | L | 21 | Very low | 24 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -54.5 | 107.9 | 170.3 | -115.4 | 115.2 | 0 | 0 | 0 | 108.4 | T47 D51 | T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 3.21Å; L49-D51 PolarHBondContact O-N 2.74Å; L49-D51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | V | 22.7 | Very low | 24.1 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | trans | -72.9 | 100.8 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | L48 H52 | L48-V50 PolarHBondContact O-N 3.45Å; V50-H52 PolarHBondContact O-CD2 3.29Å; V50-H52 PolarHBondContact O-N 3.37Å | ||
| 51 | D | 22.6 | Very low | 24 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -73.2 | 93.5 | 179.5 | -149.2 | -6 | 0 | 0 | 0 | 109.3 | L49 S53 | L49-D51 PolarHBondContact O-N 2.74Å; L49-D51 VanDerWaalsContact O-N 3.12Å; D51-S53 PolarHBondContact O-N 2.93Å | ||
| 52 | H | 22.8 | Very low | 24 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -73 | 73.8 | 176.2 | -77.6 | -77.5 | 0 | 0 | 0 | 110.5 | V50 V54 | V50-H52 PolarHBondContact O-CD2 3.29Å; V50-H52 PolarHBondContact O-N 3.37Å; H52-V54 VanDerWaalsContact C-N 3.28Å; H52-V54 PolarHBondContact O-N 3.07Å | ||
| 53 | S | 21.9 | Very low | 23.9 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -77.7 | 82.9 | 166 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | D51 S55 | D51-S53 PolarHBondContact O-N 2.93Å; S53-S55 VanDerWaalsContact C-N 3.31Å; S53-S55 PolarHBondContact O-N 2.77Å | ||
| 54 | V | 23.1 | Very low | 23.6 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -71.1 | 87.1 | 167.6 | 180 | 0 | 0 | 0 | 0 | 107.7 | H52 G56 | H52-V54 VanDerWaalsContact C-N 3.28Å; H52-V54 PolarHBondContact O-N 3.07Å; V54-G56 PolarHBondContact O-N 3.27Å | ||
| 55 | S | 26.4 | Very low | 23.3 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -78.6 | 104.9 | 167.4 | 65.3 | 0 | 0 | 0 | 0 | 108.5 | S53 | S53-S55 VanDerWaalsContact C-N 3.31Å; S53-S55 PolarHBondContact O-N 2.77Å | ||
| 56 | G | 25.8 | Very low | 23.2 | Very low | 60 Ų | 60 | 126.9 Ų | 126.9 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | -60.9 | 143.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V54 | V54-G56 PolarHBondContact O-N 3.27Š| ||
| 57 | D | 25.9 | Very low | 23.1 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | trans | 32.2 | 98.1 | 150.1 | -61.8 | -19.6 | 0 | 0 | 0 | 117.7 | ||||
| 58 | G | 26.1 | Very low | 23 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -161.8 | 76.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V60 | G58-V60 PolarHBondContact O-N 2.62Š| ||
| 59 | N | 22.8 | Very low | 22.9 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -63 | 75.1 | 179 | -151.4 | 15.6 | 0 | 0 | 0 | 110.8 | F61 | N59-F61 VanDerWaalsContact C-N 3.34Å; N59-F61 PolarHBondContact O-N 2.96Å; N59-F61 VanDerWaalsContact O-N 3.09Å; N59-F61 WeakPolarHBondContact OD1-CE2 3.35Å | ||
| 60 | V | 24 | Very low | 23 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -84.4 | 84.1 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | G58 T62 | G58-V60 PolarHBondContact O-N 2.62Å; V60-T62 VanDerWaalsContact C-N 3.26Å; V60-T62 HydrophobicContact CG1-CG2 4.08Å; V60-T62 PolarHBondContact O-N 2.98Å | ||
| 61 | F | 21.5 | Very low | 23 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -65 | 82.8 | 163.7 | -91.2 | -92 | 0 | 0 | 0 | 109.6 | N59 G63 | N59-F61 VanDerWaalsContact C-N 3.34Å; N59-F61 PolarHBondContact O-N 2.96Å; N59-F61 VanDerWaalsContact O-N 3.09Å; N59-F61 WeakPolarHBondContact OD1-CE2 3.35Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 2.93Å; F61-G63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | T | 23.7 | Very low | 22.9 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | -78 | 89.9 | 159.4 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | V60 L64 | V60-T62 VanDerWaalsContact C-N 3.26Å; V60-T62 HydrophobicContact CG1-CG2 4.08Å; V60-T62 PolarHBondContact O-N 2.98Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 2.84Å | ||
| 63 | G | 21.5 | Very low | 23 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -63.6 | 90.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F61 K65 | F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 2.93Å; F61-G63 VanDerWaalsContact O-N 3.11Å; G63-K65 PolarHBondContact O-N 2.8Å | ||
| 64 | L | 21.6 | Very low | 23 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 94.1 | 167.8 | -68.8 | 173.4 | 0 | 0 | 0 | 107.8 | T62 P66 | T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 2.84Å; L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.28Å | ||
| 65 | K | 20.4 | Very low | 23.1 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -67 | 114.9 | 174.2 | -163 | 174.6 | -175.3 | 176.3 | 0 | 108.3 | G63 Q67 | G63-K65 PolarHBondContact O-N 2.8Å; K65-Q67 PolarHBondContact O-N 2.96Å; K65-Q67 VanDerWaalsContact O-N 3.17Å | ||
| 66 | P | 22.4 | Very low | 23.1 | Very low | 103 Ų | 103 | 132 Ų | 132 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -70.2 | 113.4 | 179 | -11.5 | 27.2 | 0 | 0 | 0 | 108.6 | L64 I68 | L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-I68 VanDerWaalsContact C-N 3.33Å; P66-I68 HydrophobicContact CB-CG1 4.23Å; P66-I68 PolarHBondContact O-N 3.09Å; P66-I68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | Q | 20.8 | Very low | 23.2 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -75.6 | 92.7 | 163.6 | -83.9 | -168.2 | -13.8 | 0 | 0 | 107.8 | K65 S69 | K65-Q67 PolarHBondContact O-N 2.96Å; K65-Q67 VanDerWaalsContact O-N 3.17Å; Q67-S69 PolarHBondContact O-N 2.97Å; Q67-S69 VanDerWaalsContact O-N 3.12Å | ||
| 68 | I | 23.1 | Very low | 23.3 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | -77.6 | 94.5 | 171.5 | -47.4 | 168 | 0 | 0 | 0 | 106 | P66 V70 | P66-I68 VanDerWaalsContact C-N 3.33Å; P66-I68 HydrophobicContact CB-CG1 4.23Å; P66-I68 PolarHBondContact O-N 3.09Å; P66-I68 VanDerWaalsContact O-N 3.1Å; I68-V70 VanDerWaalsContact C-N 3.33Å; I68-V70 HydrophobicContact CG2-CG2 4.08Å; I68-V70 PolarHBondContact O-N 2.85Å | ||
| 69 | S | 21.1 | Very low | 23.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -69.4 | 97.4 | 163.7 | -175.4 | 0 | 0 | 0 | 0 | 106.9 | Q67 A71 | Q67-S69 PolarHBondContact O-N 2.97Å; Q67-S69 VanDerWaalsContact O-N 3.12Å; S69-A71 VanDerWaalsContact C-N 3.35Å; S69-A71 PolarHBondContact O-N 3.02Å | ||
| 70 | V | 22.9 | Very low | 23.5 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 96.1 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | I68 S72 | I68-V70 VanDerWaalsContact C-N 3.33Å; I68-V70 HydrophobicContact CG2-CG2 4.08Å; I68-V70 PolarHBondContact O-N 2.85Å; V70-S72 PolarHBondContact O-N 3.17Å | ||
| 71 | A | 21.8 | Very low | 23.7 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | trans | -64.1 | 102.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S69 F73 | S69-A71 VanDerWaalsContact C-N 3.35Å; S69-A71 PolarHBondContact O-N 3.02Å; A71-F73 WeakPolarHBondContact O-CD2 3.21Å; A71-F73 PolarHBondContact O-N 3.01Å | ||
| 72 | S | 21.7 | Very low | 24 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 104.2 | 173.1 | -71.2 | 0 | 0 | 0 | 0 | 109.5 | V70 S74 | V70-S72 PolarHBondContact O-N 3.17Å; S72-S74 PolarHBondContact O-N 2.93Å | ||
| 73 | F | 23.9 | Very low | 24 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -75.9 | 106.5 | 162.4 | -70.8 | -84.3 | 0 | 0 | 0 | 107.6 | A71 R75 | A71-F73 WeakPolarHBondContact O-CD2 3.21Å; A71-F73 PolarHBondContact O-N 3.01Å; F73-R75 PolarHBondContact O-N 3.31Å | ||
| 74 | S | 23.2 | Very low | 24.4 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -56.4 | 119.3 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | S72 D76 | S72-S74 PolarHBondContact O-N 2.93Å; S74-D76 PolarHBondContact O-N 2.69Å | ||
| 75 | R | 24.7 | Very low | 24.6 | Very low | 248 Ų | 248 | 140.8 Ų | 140.8 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | -74.8 | 76.8 | 167.6 | -74.5 | -179.8 | 170.4 | 168.5 | -2.9 | 108.7 | F73 | F73-R75 PolarHBondContact O-N 3.31Š| ||
| 76 | D | 27.2 | Very low | 24.7 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -117.4 | 143.5 | 164.4 | -74.5 | -40.6 | 0 | 0 | 0 | 108.3 | S74 | S74-D76 PolarHBondContact O-N 2.69Š| ||
| 77 | L | 27.9 | Very low | 25.1 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 89.2 | 56.6 | 179.8 | -42.7 | 178.3 | 0 | 0 | 0 | 115.7 | P79 | L77-P79 WeakPolarHBondContact O-CD 3.44Š| ||
| 78 | V | 26.6 | Very low | 25.3 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 116.6 | 144.9 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | S80 | V78-S80 PolarHBondContact O-N 2.75Š| ||
| 79 | P | 28.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -60.2 | 128.8 | 174.2 | -19.1 | 31.7 | 0 | 0 | 0 | 109.5 | L77 D81 | L77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-D81 PolarHBondContact O-N 3.06Å | ||
| 80 | S | 24.8 | Very low | 25.9 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 79.5 | 172.4 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | V78 M82 | V78-S80 PolarHBondContact O-N 2.75Å; S80-M82 PolarHBondContact O-N 2.79Å; S80-M82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | D | 29.7 | Very low | 26.2 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -74.4 | 109.5 | 172.6 | -80.7 | -14.5 | 0 | 0 | 0 | 109.4 | P79 I83 | P79-D81 PolarHBondContact O-N 3.06Å; D81-I83 PolarHBondContact O-N 3Å | ||
| 82 | M | 26.3 | Very low | 26.4 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 84% | 0.837 | 81% | 0.814 | S | S | * | * | trans | -33.6 | 119.3 | 172.5 | -86.5 | 167.8 | -114.4 | 0 | 0 | 113.5 | S80 M84 | S80-M82 PolarHBondContact O-N 2.79Å; S80-M82 VanDerWaalsContact O-N 3.13Å; M82-M84 PolarHBondContact O-N 2.99Å; M82-M84 VanDerWaalsContact O-N 3.17Å | ||
| 83 | I | 23.8 | Very low | 26.5 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -55.7 | 107.7 | 159.3 | -60.1 | 160.2 | 0 | 0 | 0 | 108.3 | D81 | D81-I83 PolarHBondContact O-N 3Š| ||
| 84 | M | 29.5 | Very low | 26.5 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -143.7 | 116.1 | 164.2 | -79.7 | -66.3 | -75.4 | 0 | 0 | 109 | M82 | M82-M84 PolarHBondContact O-N 2.99Å; M82-M84 VanDerWaalsContact O-N 3.17Å | ||
| 85 | G | 26.5 | Very low | 26.6 | Very low | 77 Ų | 77 | 149.1 Ų | 149.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 116.3 | 89.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 86 | E | 23.5 | Very low | 26.6 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -54.3 | 138.2 | 164.7 | -64.8 | 165.3 | 140.7 | 0 | 0 | 112.5 | ||||
| 87 | S | 29.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -164.2 | 120.2 | 130.5 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | K89 | S87-K89 PolarHBondContact O-N 3.43Š| ||
| 88 | D | 25.1 | Very low | 26.4 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -56.1 | 112.5 | 175.2 | -73.5 | -53.7 | 0 | 0 | 0 | 112.7 | ||||
| 89 | K | 31.6 | Very low | 26.3 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -139.1 | 105.9 | 145.6 | -71.2 | -167.8 | -179.5 | 171.5 | 0 | 110 | S87 L91 | S87-K89 PolarHBondContact O-N 3.43Å; K89-L91 PolarHBondContact O-N 3.35Å | ||
| 90 | T | 25.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -47.6 | 98.5 | 168.3 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 91 | L | 28.5 | Very low | 26.1 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -112.3 | 118.5 | 161.1 | -77.7 | 174.6 | 0 | 0 | 0 | 109.8 | K89 K93 | K89-L91 PolarHBondContact O-N 3.35Å; L91-K93 PolarHBondContact O-N 3.36Å | ||
| 92 | S | 25.7 | Very low | 26 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -55 | 122.7 | -169 | -43 | 0 | 0 | 0 | 0 | 112 | T94 | S92-T94 VanDerWaalsContact C-N 3.26Å; S92-T94 PolarHBondContact O-N 3.32Å; S92-T94 PolarHBondContact O-OG1 3.32Å | ||
| 93 | K | 24.2 | Very low | 26 | Very low | 210 Ų | 210 | 151.6 Ų | 151.6 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | -56.5 | 81.5 | 169.9 | -157.4 | 174.3 | -169.4 | 175.5 | 0 | 109.8 | L91 A95 | L91-K93 PolarHBondContact O-N 3.36Å; K93-A95 PolarHBondContact O-N 3.34Å | ||
| 94 | T | 25.3 | Very low | 26.1 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 94.7 | 169.1 | -36.5 | 0 | 0 | 0 | 0 | 106.4 | S92 V96 | S92-T94 VanDerWaalsContact C-N 3.26Å; S92-T94 PolarHBondContact O-N 3.32Å; S92-T94 PolarHBondContact O-OG1 3.32Å; T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 PolarHBondContact O-N 3.43Å | ||
| 95 | A | 24.3 | Very low | 26 | Very low | 88 Ų | 88 | 150.9 Ų | 150.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -60.3 | 93.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | K93 S97 | K93-A95 PolarHBondContact O-N 3.34Å; A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 3.03Å | ||
| 96 | V | 24.5 | Very low | 25.9 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 99.8 | 161.8 | -179.7 | 0 | 0 | 0 | 0 | 105.2 | T94 Q98 | T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 PolarHBondContact O-N 3.43Å; V96-Q98 PolarHBondContact O-N 2.76Å | ||
| 97 | S | 25.3 | Very low | 26.2 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -48.9 | 129.3 | 174.6 | 35.6 | 0 | 0 | 0 | 0 | 110.6 | A95 Q99 | A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 3.03Å; S97-Q99 VanDerWaalsContact C-N 3.26Å; S97-Q99 PolarHBondContact O-N 2.79Å | ||
| 98 | Q | 26.1 | Very low | 26.2 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -52 | 88.2 | 160.9 | -76.5 | 170.7 | -17.2 | 0 | 0 | 109.6 | V96 | V96-Q98 PolarHBondContact O-N 2.76Š|
| 99 | Q | 24.6 | Very low | 26.3 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | -152.3 | 58.4 | 172.3 | -143.3 | -177.7 | 15.7 | 0 | 0 | 111.5 | S97 | S97-Q99 VanDerWaalsContact C-N 3.26Å; S97-Q99 PolarHBondContact O-N 2.79Å | ||
| 100 | Q | 23.9 | Very low | 26 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -163.2 | 65.4 | 150.4 | -110.5 | 159.2 | 53.7 | 0 | 0 | 110 | Q102 | Q100-Q102 HydrophobicContact CG-CG 4.49Å; Q100-Q102 PolarHBondContact O-N 2.9Å | ||
| 101 | Q | 25.3 | Very low | 26 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -76.4 | 65.1 | 155.1 | -158.5 | 158.7 | 12.1 | 0 | 0 | 107.2 | Q103 | Q101-Q103 PolarHBondContact O-N 3.07Š| ||
| 102 | Q | 27.7 | Very low | 25.8 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | -82.3 | 104.8 | 164.5 | -88.5 | -178 | 2.2 | 0 | 0 | 106.7 | Q100 F104 | Q100-Q102 HydrophobicContact CG-CG 4.49Å; Q100-Q102 PolarHBondContact O-N 2.9Å; Q102-F104 PolarHBondContact O-N 2.89Å | ||
| 103 | Q | 25.7 | Very low | 25.8 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -42.7 | 104.6 | 163.8 | -69.8 | 167.2 | -75.7 | 0 | 0 | 109.3 | Q101 D105 | Q101-Q103 PolarHBondContact O-N 3.07Å; Q103-D105 PolarHBondContact O-N 2.95Å | ||
| 104 | F | 26.1 | Very low | 25.7 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -86.4 | 97.8 | 154.5 | -96.1 | -84.8 | 0 | 0 | 0 | 106.3 | Q102 G106 | Q102-F104 PolarHBondContact O-N 2.89Å; F104-G106 PolarHBondContact O-N 3.04Å | ||
| 105 | D | 27.2 | Very low | 25.6 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 49.1 | 162.9 | -72.6 | -37.1 | 0 | 0 | 0 | 110.4 | Q103 K107 | Q103-D105 PolarHBondContact O-N 2.95Å; D105-K107 PolarHBondContact O-N 3.07Å; D105-K107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | G | 25.3 | Very low | 25.5 | Very low | 58 Ų | 58 | 147.9 Ų | 147.9 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 100.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | F104 A108 | F104-G106 PolarHBondContact O-N 3.04Å; G106-A108 VanDerWaalsContact C-N 3.27Å; G106-A108 PolarHBondContact O-N 3.42Å | ||
| 107 | K | 28.5 | Very low | 25.5 | Very low | 202 Ų | 202 | 149.5 Ų | 149.5 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -46.5 | 92.5 | 166.6 | -66.3 | 174 | 179.8 | 178.4 | 0 | 108.9 | D105 S109 | D105-K107 PolarHBondContact O-N 3.07Å; D105-K107 VanDerWaalsContact O-N 3.12Å; K107-S109 PolarHBondContact O-N 3.45Å | ||
| 108 | A | 29.1 | Very low | 25.4 | Very low | 86 Ų | 86 | 151.2 Ų | 151.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 105.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | G106 M110 | G106-A108 VanDerWaalsContact C-N 3.27Å; G106-A108 PolarHBondContact O-N 3.42Å; A108-M110 VanDerWaalsContact C-N 3.29Å; A108-M110 PolarHBondContact O-N 2.63Å | ||
| 109 | S | 28.4 | Very low | 25.3 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 96 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | K107 L111 | K107-S109 PolarHBondContact O-N 3.45Å; S109-L111 PolarHBondContact O-N 3.14Å | ||
| 110 | M | 25.8 | Very low | 25.5 | Very low | 176 Ų | 176 | 149 Ų | 149 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -71 | 72.6 | 171 | -65.4 | -154.3 | -62.5 | 0 | 0 | 108.4 | A108 L112 | A108-M110 VanDerWaalsContact C-N 3.29Å; A108-M110 PolarHBondContact O-N 2.63Å; M110-L112 PolarHBondContact O-N 3.22Å | ||
| 111 | L | 24.2 | Very low | 25.9 | Very low | 152 Ų | 152 | 148 Ų | 148 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -76.6 | 101.4 | 165.4 | -76.2 | 165.7 | 0 | 0 | 0 | 106.6 | S109 | S109-L111 PolarHBondContact O-N 3.14Š| ||
| 112 | L | 24.7 | Very low | 26 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -58.5 | 144.7 | 169.1 | -78.2 | 152 | 0 | 0 | 0 | 109.4 | M110 L114 | M110-L112 PolarHBondContact O-N 3.22Å; L112-L114 PolarHBondContact O-N 2.92Å | ||
| 113 | P | 26.1 | Very low | 26.1 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -57.4 | 125.4 | 175.6 | -20.5 | 31.3 | 0 | 0 | 0 | 111.1 | H115 | P113-H115 PolarHBondContact O-N 2.95Š| ||
| 114 | L | 22.1 | Very low | 26.2 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 111.2 | 176.5 | -83.2 | 145.5 | 0 | 0 | 0 | 109.8 | L112 | L112-L114 PolarHBondContact O-N 2.92Š| ||
| 115 | H | 22.3 | Very low | 26.1 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -87 | 110.4 | 166.1 | -71.8 | -91.2 | 0 | 0 | 0 | 108.7 | P113 | P113-H115 PolarHBondContact O-N 2.95Š| ||
| 116 | I | 23.6 | Very low | 25.9 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -87.3 | 114 | 174.6 | -59 | 171.8 | 0 | 0 | 0 | 107.7 | L118 | I116-L118 HydrophobicContact CG2-CD2 4.48Š| ||
| 117 | L | 23 | Very low | 25.8 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -89.4 | 114.7 | 168.2 | -101.4 | 148.6 | 0 | 0 | 0 | 107.9 | D119 | L117-D119 PolarHBondContact O-N 2.64Š| ||
| 118 | L | 23.6 | Very low | 25.7 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -81 | 109 | 175.4 | -68.3 | 163.9 | 0 | 0 | 0 | 108.4 | I116 F120 | I116-L118 HydrophobicContact CG2-CD2 4.48Å; L118-F120 HydrophobicContact CB-CD2 4.28Å; L118-F120 HydrophobicContact CB-CE2 3.73Å; L118-F120 HydrophobicContact CB-CZ 4.34Å; L118-F120 HydrophobicContact CD1-CE2 4.45Å | ||
| 119 | D | 25.1 | Very low | 25.5 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -89.1 | 112.7 | 174.8 | -147.4 | -6.2 | 0 | 0 | 0 | 108.8 | L117 | L117-D119 PolarHBondContact O-N 2.64Š| ||
| 120 | F | 27.4 | Very low | 25.3 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -100.7 | 92.7 | 177.6 | -69.4 | -90.3 | 0 | 0 | 0 | 108 | L118 | L118-F120 HydrophobicContact CB-CD2 4.28Å; L118-F120 HydrophobicContact CB-CE2 3.73Å; L118-F120 HydrophobicContact CB-CZ 4.34Å; L118-F120 HydrophobicContact CD1-CE2 4.45Å | ||
| 121 | N | 33.6 | Very low | 25.5 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -139.1 | 106 | 164.1 | -90 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 122 | G | 27.1 | Very low | 25.5 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 149.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 123 | E | 28.8 | Very low | 25.8 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | 73.3 | 69.6 | 161.1 | -52.3 | 179.7 | -174.9 | 0 | 0 | 116.7 | ||||
| 124 | S | 28.1 | Very low | 25.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -128.6 | 85.9 | 151.6 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | C126 | S124-C126 PolarHBondContact O-N 3.24Š| ||
| 125 | S | 24.3 | Very low | 26 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 115.4 | 166.5 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | V127 | S125-V127 PolarHBondContact O-N 3.47Š| ||
| 126 | C | 23.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -78.6 | 106.4 | 174 | 18.1 | 0 | 0 | 0 | 0 | 110 | S124 L128 | S124-C126 PolarHBondContact O-N 3.24Å; C126-L128 PolarHBondContact O-N 3.45Å | ||
| 127 | V | 22.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 110 | 167 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | S125 S129 | S125-V127 PolarHBondContact O-N 3.47Å; V127-S129 PolarHBondContact O-N 3.48Å | ||
| 128 | L | 26 | Very low | 26.7 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 110.9 | 171.5 | -65.8 | 172 | 0 | 0 | 0 | 108.2 | C126 D130 | C126-L128 PolarHBondContact O-N 3.45Å; L128-D130 PolarHBondContact O-N 3.28Å | ||
| 129 | S | 24.7 | Very low | 26.8 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -84.1 | 111.6 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | V127 S131 | V127-S129 PolarHBondContact O-N 3.48Å; S129-S131 PolarHBondContact O-N 2.94Å; S129-S131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | D | 25.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 102.7 | 169.8 | -75.6 | -34.2 | 0 | 0 | 0 | 110.2 | L128 | L128-D130 PolarHBondContact O-N 3.28Š| ||
| 131 | S | 28.9 | Very low | 27.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -121.9 | 93 | 166.3 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | S129 P133 | S129-S131 PolarHBondContact O-N 2.94Å; S129-S131 VanDerWaalsContact O-N 3.15Å; S131-P133 VanDerWaalsContact O-CD 3.32Å; S131-P133 WeakPolarHBondContact O-CD 3.45Å | ||
| 132 | L | 24.2 | Very low | 27 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.2 | 168.7 | -76.8 | 160 | 0 | 0 | 0 | 110.2 | ||
| 133 | P | 30.4 | Very low | 27.2 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 122.7 | 168.4 | -2 | 21.8 | 0 | 0 | 0 | 109.8 | S131 | S131-P133 VanDerWaalsContact O-CD 3.32Å; S131-P133 WeakPolarHBondContact O-CD 3.45Å |
| 134 | S | 26.8 | Very low | 27.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 143.2 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 135 | S | 27.1 | Very low | 27.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -47.2 | 148.8 | 163.9 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 136 | N | 27.5 | Very low | 28.2 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | 98.4 | 88.4 | 169.5 | -57 | -20.4 | 0 | 0 | 0 | 116.1 | ||||
| 137 | A | 30.1 | Very low | 28.6 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -152.9 | 128.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 138 | E | 25.8 | Very low | 29.3 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -59.4 | 153.2 | -172.5 | -79 | 158 | 104.6 | 0 | 0 | 115.4 | T140 | E138-T140 PolarHBondContact O-N 3.34Š| ||
| 139 | M | 25.8 | Very low | 29.9 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -47.6 | 105.5 | 163.6 | -66.4 | 173.8 | -161 | 0 | 0 | 111.4 | ||||
| 140 | T | 31.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -133.4 | 119.8 | 151.3 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | E138 A142 | E138-T140 PolarHBondContact O-N 3.34Å; T140-A142 PolarHBondContact O-N 3.5Å | ||
| 141 | H | 28.2 | Very low | 31 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 93% | 0.931 | 78% | 0.779 | S | S | * | * | trans | -65.2 | 80.5 | 171.1 | -69.2 | -91.6 | 0 | 0 | 0 | 108.9 | ||||
| 142 | A | 30.1 | Very low | 31.5 | Very low | 74 Ų | 74 | 129 Ų | 129 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 102.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | T140 | T140-A142 PolarHBondContact O-N 3.5Š| ||
| 143 | S | 30.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 38.7 | 99.9 | 148.8 | -47.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 144 | L | 29.9 | Very low | 33.3 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | -36.8 | 123.8 | 168 | -74.2 | 159.3 | 0 | 0 | 0 | 110.3 | A146 | L144-A146 PolarHBondContact O-N 3.15Å; L144-A146 VanDerWaalsContact O-N 3.16Å | ||
| 145 | P | 34.9 | Very low | 34.2 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -56.7 | 126.8 | -179.4 | 21.9 | -31 | 0 | 0 | 0 | 108.1 | S147 | P145-S147 PolarHBondContact O-N 3.18Š| ||
| 146 | A | 38.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -50.5 | 111.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | L144 P148 | L144-A146 PolarHBondContact O-N 3.15Å; L144-A146 VanDerWaalsContact O-N 3.16Å; A146-P148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | S | 31.9 | Very low | 37.3 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -46 | 123.7 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | P145 V149 | P145-S147 PolarHBondContact O-N 3.18Å; S147-V149 PolarHBondContact O-N 3.4Å | ||
| 148 | P | 38.6 | Very low | 38.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -60.9 | 105.4 | -178.6 | 23.3 | -30.8 | 0 | 0 | 0 | 107.3 | A146 S150 | A146-P148 VanDerWaalsContact O-N 3.15Å; P148-S150 PolarHBondContact O-N 3.03Å | ||
| 149 | V | 37.5 | Very low | 40.2 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -67.2 | 83.9 | 168.9 | -176.4 | 0 | 0 | 0 | 0 | 105.4 | S147 N151 | S147-V149 PolarHBondContact O-N 3.4Å; V149-N151 VanDerWaalsContact C-N 3.25Å; V149-N151 PolarHBondContact O-N 2.86Å | ||
| 150 | S | 35.2 | Very low | 41.8 | Very low | 85 Ų | 85 | 123 Ų | 123 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | trans | -68 | 94.7 | 169.1 | 60 | 0 | 0 | 0 | 0 | 106.2 | P148 I152 | P148-S150 PolarHBondContact O-N 3.03Å; S150-I152 PolarHBondContact O-N 3.43Å | ||
| 151 | N | 38.9 | Very low | 43.3 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -64.9 | 75.2 | 162.6 | -77 | -32.8 | 0 | 0 | 0 | 107.5 | V149 Q153 | V149-N151 VanDerWaalsContact C-N 3.25Å; V149-N151 PolarHBondContact O-N 2.86Å; N151-Q153 PolarHBondContact O-N 3.16Å | ||
| 152 | I | 38.3 | Very low | 44.1 | Very low | 130 Ų | 130 | 120 Ų | 120 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | trans | -70.9 | 90.9 | 169.1 | -56.2 | 171.7 | 0 | 0 | 0 | 104.9 | S150 L154 | S150-I152 PolarHBondContact O-N 3.43Å; I152-L154 HydrophobicContact CG2-CG 4.49Å; I152-L154 PolarHBondContact O-N 3.06Å; I152-L154 VanDerWaalsContact O-N 3.07Å | ||
| 153 | Q | 45.7 | Very low | 44.8 | Very low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -67.7 | 102.8 | 163 | -73.3 | -178 | 5.7 | 0 | 0 | 105.9 | N151 R155 | N151-Q153 PolarHBondContact O-N 3.16Å; Q153-R155 PolarHBondContact O-N 3.46Å | ||
| 154 | L | 46 | Very low | 45.6 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | trans | -65.7 | 79.1 | 163.7 | -75.2 | 164.4 | 0 | 0 | 0 | 107.2 | I152 | I152-L154 HydrophobicContact CG2-CG 4.49Å; I152-L154 PolarHBondContact O-N 3.06Å; I152-L154 VanDerWaalsContact O-N 3.07Å | ||
| 155 | R | 47 | Very low | 46.2 | Very low | 201 Ų | 201 | 125.5 Ų | 125.5 | 76% | 0.758 | 68% | 0.684 | S | S | * | * | trans | -86.5 | 111.9 | 169.6 | -165.3 | 176 | -170.6 | 165.9 | 1.4 | 105.4 | Q153 P157 | Q153-R155 PolarHBondContact O-N 3.46Å; R155-P157 WeakPolarHBondContact O-CD 3.17Å; R155-P157 VanDerWaalsContact O-N 3.13Å | ||
| 156 | D | 58.3 | Low | 46.8 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 41% | 0.406 | 69% | 0.686 | S | S | . | * | trans | -62.1 | 113.6 | 172.7 | -174.8 | -11.6 | 0 | 0 | 0 | 107.7 | H158 E159 | D156-H158 PolarHBondContact O-N 2.84Å; D156-H158 VanDerWaalsContact O-N 3.09Å; D156-H158 PolarHBondContact OD1-N 3.47Å; D156-E159 HydrophobicContact CB-CB 4.4Å; D156-E159 PolarHBondContact O-N 2.82Å; D156-E159 VanDerWaalsContact O-N 3.17Å | ||
| 157 | P | 60.9 | Low | 47 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -15.9 | -179 | 24.1 | -30.8 | 0 | 0 | 0 | 112.6 | R155 | R155-P157 WeakPolarHBondContact O-CD 3.17Å; R155-P157 VanDerWaalsContact O-N 3.13Å |
| 158 | H | 57.4 | Low | 47.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 45% | 0.449 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.2 | 8.9 | -179.8 | -62.6 | -66.5 | 0 | 0 | 0 | 113.9 | D156 A160 D161 Y162 | D156-H158 PolarHBondContact O-N 2.84Å; D156-H158 VanDerWaalsContact O-N 3.09Å; D156-H158 PolarHBondContact OD1-N 3.47Å; H158-A160 PolarHBondContact O-N 3.21Å; H158-D161 HydrophobicContact CB-CB 4.49Å; H158-D161 IonicContact CG-OD2 3.75Å; H158-D161 IonicContact ND1-OD2 2.96Å; H158-D161 PolarHBondContact ND1-OD2 3.04Å; H158-D161 WeakPolarHBondContact O-CB 3.46Å; H158-D161 PolarHBondContact O-N 3.15Å; H158-Y162 HydrophobicContact CB-CE2 4.07Å; H158-Y162 WeakPolarHBondContact O-CD2 3.41Å; H158-Y162 WeakPolarHBondContact O-CE2 3.18Å |
| 159 | E | 59.8 | Low | 47.9 | Very low | 95 Ų | 95 | 130 Ų | 130 | 44% | 0.444 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.6 | -28.6 | 179.4 | -158.5 | -167 | 156.6 | 0 | 0 | 112.7 | D156 R164 | D156-E159 HydrophobicContact CB-CB 4.4Å; D156-E159 PolarHBondContact O-N 2.82Å; D156-E159 VanDerWaalsContact O-N 3.17Å; E159-R164 IonicContact OE1-CZ 3.81Å; E159-R164 IonicContact OE1-NH2 2.69Å; E159-R164 PolarHBondContact OE1-NH2 2.83Å |
| 160 | A | 58.2 | Low | 48.3 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -21.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | H158 Y162 | H158-A160 PolarHBondContact O-N 3.21Å; A160-Y162 VanDerWaalsContact C-N 3.34Å |
| 161 | D | 64.1 | Low | 48.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -16.3 | -178.9 | -62.9 | -34.8 | 0 | 0 | 0 | 111.8 | H158 P163 | H158-D161 HydrophobicContact CB-CB 4.49Å; H158-D161 IonicContact CG-OD2 3.75Å; H158-D161 IonicContact ND1-OD2 2.96Å; H158-D161 PolarHBondContact ND1-OD2 3.04Å; H158-D161 WeakPolarHBondContact O-CB 3.46Å; H158-D161 PolarHBondContact O-N 3.15Å; D161-P163 WeakPolarHBondContact O-CD 3.35Å |
| 162 | Y | 44.3 | Very low | 49.2 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 57% | 0.569 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -86.5 | 118.4 | 176.8 | -61 | -69.8 | 0 | 0 | 0 | 111 | H158 A160 R164 | H158-Y162 HydrophobicContact CB-CE2 4.07Å; H158-Y162 WeakPolarHBondContact O-CD2 3.41Å; H158-Y162 WeakPolarHBondContact O-CE2 3.18Å; A160-Y162 VanDerWaalsContact C-N 3.34Å; Y162-R164 PolarHBondContact O-N 2.89Å |
| 163 | P | 45 | Very low | 49.6 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | trans | -62.4 | 113.8 | 173.7 | 23.7 | -30.9 | 0 | 0 | 0 | 109.5 | D161 M165 | D161-P163 WeakPolarHBondContact O-CD 3.35Å; P163-M165 PolarHBondContact O-N 2.83Å | ||
| 164 | R | 48.6 | Very low | 49.5 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | trans | -67.5 | 96.3 | 171.1 | -68.2 | -176.5 | 177.4 | -163 | -1.2 | 108.6 | E159 Y162 V166 | E159-R164 IonicContact OE1-CZ 3.81Å; E159-R164 IonicContact OE1-NH2 2.69Å; E159-R164 PolarHBondContact OE1-NH2 2.83Å; Y162-R164 PolarHBondContact O-N 2.89Å; R164-V166 PolarHBondContact O-N 3.16Å | ||
| 165 | M | 41.7 | Very low | 49.4 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 80% | 0.798 | 66% | 0.662 | S | S | * | * | trans | -70.6 | 117.2 | 168.8 | -68.7 | -116.8 | -52.5 | 0 | 0 | 108.4 | P163 V167 | P163-M165 PolarHBondContact O-N 2.83Å; M165-V167 PolarHBondContact O-N 3.24Å | ||
| 166 | V | 46.7 | Very low | 49.5 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 66% | 0.658 | S | S | * | * | trans | -68.1 | 102.3 | 166.4 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | R164 K168 | R164-V166 PolarHBondContact O-N 3.16Å; V166-K168 PolarHBondContact O-N 3.47Å | ||
| 167 | V | 43.4 | Very low | 49 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | trans | -65.8 | 102.3 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | M165 F170 | M165-V167 PolarHBondContact O-N 3.24Å; V167-F170 HydrophobicContact CG1-CD2 3.61Å; V167-F170 HydrophobicContact CG1-CE2 3.46Å; V167-F170 VanDerWaalsContact CG1-CE2 3.46Å | ||
| 168 | K | 45.5 | Very low | 48.6 | Very low | 174 Ų | 174 | 135 Ų | 135 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | trans | -63.3 | 137.1 | 165.3 | -77.3 | -176.4 | 175.9 | -178 | 0 | 107.5 | V166 F170 | V166-K168 PolarHBondContact O-N 3.47Å; K168-F170 PolarHBondContact O-N 3.47Å | ||
| 169 | N | 44.3 | Very low | 48.2 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | -48.4 | 109.5 | -176.8 | -73.3 | -23 | 0 | 0 | 0 | 110.5 | E171 E172 | N169-E171 PolarHBondContact O-N 3.1Å; N169-E172 PolarHBondContact O-N 3.43Å; N169-E172 VanDerWaalsContact O-N 3.07Å | ||
| 170 | F | 44.6 | Very low | 47.7 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -54.9 | -25 | 179.4 | -86.8 | -84.9 | 0 | 0 | 0 | 112.8 | V167 K168 E172 E173 Y174 | V167-F170 HydrophobicContact CG1-CD2 3.61Å; V167-F170 HydrophobicContact CG1-CE2 3.46Å; V167-F170 VanDerWaalsContact CG1-CE2 3.46Å; K168-F170 PolarHBondContact O-N 3.47Å; F170-E172 PolarHBondContact O-N 3.49Å; F170-E173 PolarHBondContact O-N 3.26Å; F170-Y174 PolarHBondContact O-N 3.16Å; F170-Y174 VanDerWaalsContact O-N 3.1Å |
| 171 | E | 44.9 | Very low | 47.5 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.4 | -39.7 | 177.2 | -67.5 | -177.5 | 169.2 | 0 | 0 | 112.4 | N169 Y174 Y175 | N169-E171 PolarHBondContact O-N 3.1Å; E171-Y174 PolarHBondContact O-N 2.98Å; E171-Y175 WeakPolarHBondContact O-CD2 3.3Å; E171-Y175 PolarHBondContact O-N 3.39Å |
| 172 | E | 47.7 | Very low | 47.2 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 66% | 0.659 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.7 | -37.8 | -179.8 | -81.5 | -176.8 | 168.1 | 0 | 0 | 112.2 | N169 F170 S176 | N169-E172 PolarHBondContact O-N 3.43Å; N169-E172 VanDerWaalsContact O-N 3.07Å; F170-E172 PolarHBondContact O-N 3.49Å; E172-S176 VanDerWaalsContact O-CB 3.23Å; E172-S176 WeakPolarHBondContact O-CB 3.23Å; E172-S176 PolarHBondContact O-N 2.77Å; E172-S176 VanDerWaalsContact O-N 3.14Å; E172-S176 PolarHBondContact O-OG 3.25Å |
| 173 | E | 46.9 | Very low | 47.5 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.2 | -36.2 | 177.4 | -92.2 | -177.6 | 171.6 | 0 | 0 | 112.2 | F170 | F170-E173 PolarHBondContact O-N 3.26Å |
| 174 | Y | 44.9 | Very low | 47.9 | Very low | 168 Ų | 168 | 139 Ų | 139 | 66% | 0.659 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.3 | -42.3 | -178.1 | -137.9 | -89.5 | 0 | 0 | 0 | 111.9 | F170 E171 S177 | F170-Y174 PolarHBondContact O-N 3.16Å; F170-Y174 VanDerWaalsContact O-N 3.1Å; E171-Y174 PolarHBondContact O-N 2.98Å; Y174-S177 PolarHBondContact O-OG 3.15Å |
| 175 | Y | 43.6 | Very low | 48 | Very low | 199 Ų | 199 | 133 Ų | 133 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82.5 | -20.7 | 179.6 | -67 | -65.7 | 0 | 0 | 0 | 114.4 | E171 S177 | E171-Y175 WeakPolarHBondContact O-CD2 3.3Å; E171-Y175 PolarHBondContact O-N 3.39Å; Y175-S177 VanDerWaalsContact C-N 3.27Å; Y175-S177 PolarHBondContact O-N 3.13Å |
| 176 | S | 49.1 | Very low | 48.6 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.6 | -20.6 | 178.2 | -64 | 0 | 0 | 0 | 0 | 113.1 | E172 Q178 | E172-S176 VanDerWaalsContact O-CB 3.23Å; E172-S176 WeakPolarHBondContact O-CB 3.23Å; E172-S176 PolarHBondContact O-N 2.77Å; E172-S176 VanDerWaalsContact O-N 3.14Å; E172-S176 PolarHBondContact O-OG 3.25Å; S176-Q178 PolarHBondContact O-N 3.08Å |
| 177 | S | 48.5 | Very low | 48.7 | Very low | 54 Ų | 54 | 129.7 Ų | 129.7 | 38% | 0.378 | 62% | 0.617 | S | S | . | * | trans | -86.7 | 96.5 | 177.5 | 77.5 | 0 | 0 | 0 | 0 | 110.1 | Y174 Y175 R179 T180 | Y174-S177 PolarHBondContact O-OG 3.15Å; Y175-S177 VanDerWaalsContact C-N 3.27Å; Y175-S177 PolarHBondContact O-N 3.13Å; S177-R179 PolarHBondContact O-N 3.11Å; S177-T180 PolarHBondContact O-N 3.25Å | ||
| 178 | Q | 50.6 | Low | 49 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 91% | 0.911 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 12.5 | 171.2 | -144.6 | 145.8 | 17 | 0 | 0 | 113.8 | S176 | S176-Q178 PolarHBondContact O-N 3.08Š|
| 179 | R | 49.2 | Very low | 49.5 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 78% | 0.781 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 0 | 178.9 | -77.3 | -170 | 172.9 | -174.4 | -1.9 | 113.6 | S177 D181 D182 | S177-R179 PolarHBondContact O-N 3.11Å; R179-D181 PolarHBondContact O-N 3Å; R179-D182 PolarHBondContact O-N 3.44Å |
| 180 | T | 50.2 | Low | 49.3 | Very low | 65 Ų | 65 | 129 Ų | 129 | 40% | 0.399 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -18.8 | -179.9 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | S177 | S177-T180 PolarHBondContact O-N 3.25Å |
| 181 | D | 53.4 | Low | 49.4 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.6 | -25.1 | -178.4 | -82.2 | -8 | 0 | 0 | 0 | 113.8 | R179 Y183 L184 N185 | R179-D181 PolarHBondContact O-N 3Å; D181-Y183 PolarHBondContact O-N 2.94Å; D181-L184 PolarHBondContact O-N 2.97Å; D181-N185 WeakPolarHBondContact O-CB 3.23Å; D181-N185 PolarHBondContact O-N 3.23Å; D181-N185 PolarHBondContact O-ND2 2.98Å |
| 182 | D | 58.1 | Low | 49.4 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | -176.9 | -73.6 | -17.5 | 0 | 0 | 0 | 111.8 | R179 F186 | R179-D182 PolarHBondContact O-N 3.44Å; D182-F186 VanDerWaalsContact O-CB 3.29Å; D182-F186 WeakPolarHBondContact O-CB 3.32Å; D182-F186 PolarHBondContact O-N 3.5Å |
| 183 | Y | 51.2 | Low | 49.2 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -41.4 | -179.5 | -155.6 | -96.3 | 0 | 0 | 0 | 111.8 | D181 F186 I187 | D181-Y183 PolarHBondContact O-N 2.94Å; Y183-F186 WeakPolarHBondContact O-CB 3.49Å; Y183-F186 PolarHBondContact O-N 2.9Å; Y183-I187 HydrophobicContact CD1-CD1 3.83Å; Y183-I187 HydrophobicContact CD1-CG1 4.48Å; Y183-I187 HydrophobicContact CE1-CD1 3.88Å; Y183-I187 HydrophobicContact CE1-CG1 4.49Å; Y183-I187 WeakPolarHBondContact O-CG1 3.3Å; Y183-I187 PolarHBondContact O-N 3.5Å |
| 184 | L | 53.2 | Low | 49.1 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.7 | -37.2 | 174.8 | -77.2 | 169 | 0 | 0 | 0 | 111.7 | D181 I187 R188 | D181-L184 PolarHBondContact O-N 2.97Å; L184-I187 PolarHBondContact O-N 2.97Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 WeakPolarHBondContact O-CG 3.14Å; L184-R188 PolarHBondContact O-N 3.25Å |
| 185 | N | 50.7 | Low | 48.9 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 39% | 0.385 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 172.6 | -78.6 | -29 | 0 | 0 | 0 | 111.7 | D181 I187 R188 F189 | D181-N185 WeakPolarHBondContact O-CB 3.23Å; D181-N185 PolarHBondContact O-N 3.23Å; D181-N185 PolarHBondContact O-ND2 2.98Å; N185-I187 VanDerWaalsContact C-N 3.33Å; N185-I187 PolarHBondContact O-N 2.94Å; N185-R188 PolarHBondContact O-N 3.29Å; N185-F189 HydrophobicContact CB-CD2 4.36Å; N185-F189 WeakPolarHBondContact O-CB 3.15Å; N185-F189 PolarHBondContact O-N 3.49Å |
| 186 | F | 53.6 | Low | 48.8 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 48% | 0.478 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.1 | -42.4 | 174.6 | -168.1 | -78.1 | 0 | 0 | 0 | 111.5 | D182 Y183 G190 Y191 | D182-F186 VanDerWaalsContact O-CB 3.29Å; D182-F186 WeakPolarHBondContact O-CB 3.32Å; D182-F186 PolarHBondContact O-N 3.5Å; Y183-F186 WeakPolarHBondContact O-CB 3.49Å; Y183-F186 PolarHBondContact O-N 2.9Å; F186-G190 WeakPolarHBondContact O-CA 3.47Å; F186-G190 PolarHBondContact O-N 3.25Å; F186-Y191 AromaticContact CD2-CD2 3.61Å; F186-Y191 HydrophobicContact CD2-CD2 3.61Å; F186-Y191 HydrophobicContact CD2-CG 4.21Å; F186-Y191 AromaticContact CE2-CD2 3.28Å; F186-Y191 HydrophobicContact CE2-CD2 3.28Å; F186-Y191 HydrophobicContact CE2-CE2 4.24Å; F186-Y191 AromaticContact CE2-CG 3.58Å; F186-Y191 HydrophobicContact CE2-CG 3.58Å; F186-Y191 HydrophobicContact CZ-CD2 4.42Å; F186-Y191 HydrophobicContact CZ-CG 4.37Å |
| 187 | I | 48.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 129 Ų | 129 | 59% | 0.59 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67 | -43.5 | 176.1 | -65.5 | 167.6 | 0 | 0 | 0 | 111.1 | Y183 L184 N185 | Y183-I187 HydrophobicContact CD1-CD1 3.83Å; Y183-I187 HydrophobicContact CD1-CG1 4.48Å; Y183-I187 HydrophobicContact CE1-CD1 3.88Å; Y183-I187 HydrophobicContact CE1-CG1 4.49Å; Y183-I187 WeakPolarHBondContact O-CG1 3.3Å; Y183-I187 PolarHBondContact O-N 3.5Å; L184-I187 PolarHBondContact O-N 2.97Å; N185-I187 VanDerWaalsContact C-N 3.33Å; N185-I187 PolarHBondContact O-N 2.94Å |
| 188 | R | 49.5 | Very low | 47.6 | Very low | 188 Ų | 188 | 131 Ų | 131 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.1 | -38.3 | -174.7 | -74.6 | -176.8 | -172 | -164.5 | 4.6 | 114 | L184 N185 | L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 WeakPolarHBondContact O-CG 3.14Å; L184-R188 PolarHBondContact O-N 3.25Å; N185-R188 PolarHBondContact O-N 3.29Å |
| 189 | F | 57.6 | Low | 47.2 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -116.7 | -4.4 | -170.9 | -58.2 | -67.3 | 0 | 0 | 0 | 113.6 | N185 | N185-F189 HydrophobicContact CB-CD2 4.36Å; N185-F189 WeakPolarHBondContact O-CB 3.15Å; N185-F189 PolarHBondContact O-N 3.49Å |
| 190 | G | 38.5 | Very low | 46.3 | Very low | 37 Ų | 37 | 126.2 Ų | 126.2 | 38% | 0.381 | 63% | 0.628 | S | S | . | * | trans | 69.4 | 166.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F186 R192 | F186-G190 WeakPolarHBondContact O-CA 3.47Å; F186-G190 PolarHBondContact O-N 3.25Å; G190-R192 PolarHBondContact O-N 3.33Å | ||
| 191 | Y | 47.1 | Very low | 45.6 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | trans | -65 | 98.9 | 172.2 | -162.7 | -120.5 | 0 | 0 | 0 | 110 | F186 G193 | F186-Y191 AromaticContact CD2-CD2 3.61Å; F186-Y191 HydrophobicContact CD2-CD2 3.61Å; F186-Y191 HydrophobicContact CD2-CG 4.21Å; F186-Y191 AromaticContact CE2-CD2 3.28Å; F186-Y191 HydrophobicContact CE2-CD2 3.28Å; F186-Y191 HydrophobicContact CE2-CE2 4.24Å; F186-Y191 AromaticContact CE2-CG 3.58Å; F186-Y191 HydrophobicContact CE2-CG 3.58Å; F186-Y191 HydrophobicContact CZ-CD2 4.42Å; F186-Y191 HydrophobicContact CZ-CG 4.37Å; Y191-G193 PolarHBondContact O-N 3.47Å | ||
| 192 | R | 45.5 | Very low | 44.7 | Very low | 224 Ų | 224 | 129.8 Ų | 129.8 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | trans | -74.6 | 69.4 | 157.1 | -71.2 | -86.3 | -174 | -151.3 | -3.2 | 106.6 | G190 E194 | G190-R192 PolarHBondContact O-N 3.33Å; R192-E194 PolarHBondContact O-N 2.9Å | ||
| 193 | G | 43.4 | Very low | 43.5 | Very low | 30 Ų | 30 | 135.5 Ų | 135.5 | 31% | 0.309 | 66% | 0.657 | S | S | . | * | trans | -50.2 | 119.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y191 V195 | Y191-G193 PolarHBondContact O-N 3.47Å; G193-V195 PolarHBondContact O-N 3.49Å | ||
| 194 | E | 44.7 | Very low | 42.6 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | trans | -50.7 | 114.4 | 171.2 | -69.1 | -163.2 | 163.6 | 0 | 0 | 105.8 | R192 P196 | R192-E194 PolarHBondContact O-N 2.9Å; E194-P196 WeakPolarHBondContact O-CD 3.21Å | ||
| 195 | V | 40.3 | Very low | 41.8 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -51.2 | 114.5 | 169.6 | 172.6 | 0 | 0 | 0 | 0 | 103.9 | G193 K197 | G193-V195 PolarHBondContact O-N 3.49Å; V195-K197 PolarHBondContact O-N 3Å | ||
| 196 | P | 42 | Very low | 41 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | -54.7 | 114.1 | -176.4 | 18.3 | -29.1 | 0 | 0 | 0 | 105.4 | E194 S198 | E194-P196 WeakPolarHBondContact O-CD 3.21Å; P196-S198 VanDerWaalsContact C-N 3.34Å; P196-S198 PolarHBondContact O-N 2.82Å | ||
| 197 | K | 40.1 | Very low | 39.8 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | -48.3 | 112.5 | 169.6 | -76.1 | 176.8 | 179.6 | 170.8 | 0 | 104.3 | V195 | V195-K197 PolarHBondContact O-N 3Š| ||
| 198 | S | 32.9 | Very low | 39.2 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -33.6 | 125.5 | -179.3 | 165.4 | 0 | 0 | 0 | 0 | 108.8 | P196 E200 | P196-S198 VanDerWaalsContact C-N 3.34Å; P196-S198 PolarHBondContact O-N 2.82Å; S198-E200 PolarHBondContact O-N 2.9Å | ||
| 199 | P | 41.4 | Very low | 38.3 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | trans | -54.1 | 122.3 | -179.4 | 21.8 | -30.9 | 0 | 0 | 0 | 107.9 | P201 | P199-P201 WeakPolarHBondContact O-CD 3.15Š| ||
| 200 | E | 31.5 | Very low | 37.2 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -46.5 | 113.1 | 177.7 | -158.2 | 178.9 | -155.3 | 0 | 0 | 108.6 | S198 | S198-E200 PolarHBondContact O-N 2.9Š| ||
| 201 | P | 34.9 | Very low | 36.7 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | trans | -74.2 | 142.9 | 178 | 31.2 | -30.7 | 0 | 0 | 0 | 107.4 | P199 | P199-P201 WeakPolarHBondContact O-CD 3.15Š| ||
| 202 | H | 33.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 68.7 | 168.3 | -39.9 | -62.2 | 0 | 0 | 0 | 117.7 | ||||
| 203 | R | 33.9 | Very low | 35.1 | Very low | 236 Ų | 236 | 138.3 Ų | 138.3 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | -112.3 | 87.1 | 122.7 | -108.1 | -178.5 | 176.1 | 141.9 | -1.2 | 108.9 | L205 | R203-L205 PolarHBondContact O-N 2.92Š| |||
| 204 | R | 31.1 | Very low | 34.3 | Very low | 225 Ų | 225 | 148.4 Ų | 148.4 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 94.9 | 158.4 | -76.6 | -178.7 | 171.1 | 177 | -1.6 | 106.2 | S206 | R204-S206 VanDerWaalsContact C-N 3.27Å; R204-S206 PolarHBondContact O-N 3.41Å | ||
| 205 | L | 36.9 | Very low | 33.5 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 103.7 | 159.4 | -70.5 | 172.3 | 0 | 0 | 0 | 104.8 | R203 M207 | R203-L205 PolarHBondContact O-N 2.92Å; L205-M207 PolarHBondContact O-N 2.85Å | ||
| 206 | S | 34 | Very low | 33 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -51.4 | 108.4 | 174.1 | 22.1 | 0 | 0 | 0 | 0 | 108 | R204 | R204-S206 VanDerWaalsContact C-N 3.27Å; R204-S206 PolarHBondContact O-N 3.41Å | ||
| 207 | M | 28.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.1 | 164.4 | -85.1 | -93.5 | 95.2 | 0 | 0 | 107.1 | L205 A209 | L205-M207 PolarHBondContact O-N 2.85Å; M207-A209 PolarHBondContact O-N 2.82Å |
| 208 | P | 35.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.2 | 177.1 | 21.4 | -28.8 | 0 | 0 | 0 | 108.8 | Q210 | P208-Q210 PolarHBondContact O-N 3.18Š|
| 209 | A | 31.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 129.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M207 G211 | M207-A209 PolarHBondContact O-N 2.82Å; A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.46Å |
| 210 | Q | 34.2 | Very low | 31 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -59.8 | 93.7 | 175.7 | -70.2 | -171.8 | -27.6 | 0 | 0 | 109.4 | P208 N212 | P208-Q210 PolarHBondContact O-N 3.18Å; Q210-N212 PolarHBondContact O-N 2.92Å | ||
| 211 | G | 27.1 | Very low | 31 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -64.8 | 112.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | A209 A213 | A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 3.46Å; G211-A213 PolarHBondContact O-N 3.06Å | ||
| 212 | N | 27.3 | Very low | 30.6 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -48.7 | 101.1 | 168.6 | -99.7 | -25.8 | 0 | 0 | 0 | 110.7 | Q210 | Q210-N212 PolarHBondContact O-N 2.92Š| ||
| 213 | A | 32.7 | Very low | 30.4 | Very low | 95 Ų | 95 | 159.9 Ų | 159.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -127.9 | 74.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G211 S215 | G211-A213 PolarHBondContact O-N 3.06Å; A213-S215 PolarHBondContact O-N 2.8Å; A213-S215 VanDerWaalsContact O-N 3.17Å | ||
| 214 | R | 25.5 | Very low | 30.1 | Very low | 241 Ų | 241 | 155.5 Ų | 155.5 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -62.4 | 103.8 | 153.5 | -84.8 | 177.4 | 157.9 | -179 | -5.4 | 107.2 | ||||
| 215 | S | 28.4 | Very low | 29.9 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -160.6 | 106.9 | 155.3 | -163.5 | 0 | 0 | 0 | 0 | 110.8 | A213 | A213-S215 PolarHBondContact O-N 2.8Å; A213-S215 VanDerWaalsContact O-N 3.17Å | ||
| 216 | N | 29.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 60.4 | 96.1 | 145.4 | -56.3 | -28.4 | 0 | 0 | 0 | 118.3 | V218 | N216-V218 PolarHBondContact O-N 2.77Š| ||
| 217 | Y | 25.3 | Very low | 29.7 | Very low | 248 Ų | 248 | 152.2 Ų | 152.2 | 97% | 0.973 | 81% | 0.808 | S | S | * | * | trans | -37.8 | 103.6 | 143.6 | -74.1 | -97.5 | 0 | 0 | 0 | 111.3 | ||||
| 218 | V | 28.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -131 | 110.3 | 161.4 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | N216 | N216-V218 PolarHBondContact O-N 2.77Š| ||
| 219 | S | 30 | Very low | 29.7 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 58.2 | 102.7 | 148.7 | -53.7 | 0 | 0 | 0 | 0 | 119.1 | S221 | S219-S221 PolarHBondContact O-N 3.08Š| ||
| 220 | K | 30.5 | Very low | 29.6 | Very low | 214 Ų | 214 | 151.3 Ų | 151.3 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -29.6 | 118.4 | 146.3 | -65.1 | 169.9 | 176.9 | 175.9 | 0 | 111.8 | ||||
| 221 | S | 32.3 | Very low | 29.6 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | 162.1 | 102.7 | 122.9 | -170 | 0 | 0 | 0 | 0 | 107.9 | S219 R223 | S219-S221 PolarHBondContact O-N 3.08Å; S221-R223 PolarHBondContact O-N 3.33Å | |||
| 222 | R | 26.7 | Very low | 29.9 | Very low | 256 Ų | 256 | 152.2 Ų | 152.2 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | trans | -58.9 | 98.7 | 174 | -74 | 175.9 | 171.1 | -176.3 | -3.5 | 109.2 | ||||
| 223 | R | 28.9 | Very low | 30.3 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -108.6 | 130.5 | 148.9 | -73 | -172.5 | -171.4 | 151.5 | 2 | 107.1 | S221 | S221-R223 PolarHBondContact O-N 3.33Š| ||
| 224 | D | 28 | Very low | 30 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 66.7 | 68 | 154.2 | -44.2 | -29.5 | 0 | 0 | 0 | 116.7 | ||||
| 225 | C | 27.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -117.5 | 76.5 | 148.4 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | L227 | C225-L227 PolarHBondContact O-N 2.82Š| ||
| 226 | L | 31.4 | Very low | 30.5 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -56.6 | 91.9 | 150 | -76.6 | 165.3 | 0 | 0 | 0 | 106.2 | G228 | L226-G228 PolarHBondContact O-N 3.39Š| ||
| 227 | L | 34.4 | Very low | 30.4 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | trans | -60.9 | 95.6 | 164.8 | -88.5 | 146.7 | 0 | 0 | 0 | 106 | C225 Y229 | C225-L227 PolarHBondContact O-N 2.82Å; L227-Y229 HydrophobicContact CB-CE2 4.23Å; L227-Y229 WeakPolarHBondContact O-CD2 3.36Å; L227-Y229 PolarHBondContact O-N 3.18Å | ||
| 228 | G | 28.8 | Very low | 30.5 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | -61.1 | 90.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | L226 G230 | L226-G228 PolarHBondContact O-N 3.39Å; G228-G230 PolarHBondContact O-N 3.29Å | ||
| 229 | Y | 34.9 | Very low | 30.6 | Very low | 210 Ų | 210 | 135 Ų | 135 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -60.5 | 112.2 | 164 | -76.7 | -84.9 | 0 | 0 | 0 | 106.5 | L227 K231 | L227-Y229 HydrophobicContact CB-CE2 4.23Å; L227-Y229 WeakPolarHBondContact O-CD2 3.36Å; L227-Y229 PolarHBondContact O-N 3.18Å; Y229-K231 PolarHBondContact O-N 3.45Å | ||
| 230 | G | 29.4 | Very low | 30.5 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -50.4 | 134.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | G228 | G228-G230 PolarHBondContact O-N 3.29Š| ||
| 231 | K | 34.9 | Very low | 30.4 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -52.5 | 126.4 | 174.4 | -67.1 | 175.3 | 178.6 | 179.8 | 0 | 108.3 | Y229 V233 | Y229-K231 PolarHBondContact O-N 3.45Å; K231-V233 PolarHBondContact O-N 3.16Å | ||
| 232 | P | 33.8 | Very low | 30.3 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | trans | -63.9 | 115 | 176.7 | 24.8 | -30.6 | 0 | 0 | 0 | 108.4 | G234 | P232-G234 PolarHBondContact O-N 2.94Š| ||
| 233 | V | 35.3 | Very low | 30.2 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -85 | 94.9 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 106.6 | K231 | K231-V233 PolarHBondContact O-N 3.16Š| ||
| 234 | G | 27.3 | Very low | 30.3 | Very low | 36 Ų | 36 | 125.7 Ų | 125.7 | 37% | 0.371 | 74% | 0.742 | S | S | . | * | S | Bend | trans | 171.4 | 168 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P232 A236 A237 | P232-G234 PolarHBondContact O-N 2.94Å; G234-A236 PolarHBondContact O-N 3.45Å; G234-A237 VanDerWaalsContact O-CB 3.28Å; G234-A237 WeakPolarHBondContact O-CB 3.42Å; G234-A237 PolarHBondContact O-N 3.2Å |
| 235 | P | 33.2 | Very low | 30.4 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -59.3 | -10.6 | -177.8 | -19.9 | 30 | 0 | 0 | 0 | 114.6 | A237 T238 | P235-A237 PolarHBondContact O-N 2.73Å; P235-T238 PolarHBondContact O-OG1 2.72Å |
| 236 | A | 29.5 | Very low | 30.6 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -75 | -8.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G234 T238 | G234-A236 PolarHBondContact O-N 3.45Å; A236-T238 PolarHBondContact O-N 3.38Å |
| 237 | A | 27.6 | Very low | 30.6 | Very low | 47 Ų | 47 | 127.1 Ų | 127.1 | 39% | 0.388 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -71.4 | -9.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G234 P235 I239 | G234-A237 VanDerWaalsContact O-CB 3.28Å; G234-A237 WeakPolarHBondContact O-CB 3.42Å; G234-A237 PolarHBondContact O-N 3.2Å; P235-A237 PolarHBondContact O-N 2.73Å; A237-I239 VanDerWaalsContact C-N 3.27Å; A237-I239 PolarHBondContact O-N 3.02Å |
| 238 | T | 28.7 | Very low | 30.7 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -80.4 | -2.2 | -178.8 | -6.5 | 0 | 0 | 0 | 0 | 114.2 | P235 A236 S240 | P235-T238 PolarHBondContact O-OG1 2.72Å; A236-T238 PolarHBondContact O-N 3.38Å; T238-S240 VanDerWaalsContact C-N 3.31Å; T238-S240 PolarHBondContact O-N 2.95Å |
| 239 | I | 30.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -98.6 | 63.4 | 171 | -45 | 176.2 | 0 | 0 | 0 | 108.2 | A237 | A237-I239 VanDerWaalsContact C-N 3.27Å; A237-I239 PolarHBondContact O-N 3.02Å | ||
| 240 | S | 27.8 | Very low | 30.9 | Very low | 77 Ų | 77 | 133 Ų | 133 | 54% | 0.538 | 72% | 0.723 | S | S | . | * | trans | -123.8 | 131.4 | 176 | -162.3 | 0 | 0 | 0 | 0 | 108.5 | T238 | T238-S240 VanDerWaalsContact C-N 3.31Å; T238-S240 PolarHBondContact O-N 2.95Å | ||
| 241 | H | 27.7 | Very low | 31.2 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.815 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 92.2 | 14.3 | 171.1 | -53.4 | -59.1 | 0 | 0 | 0 | 120.9 | G243 | H241-G243 PolarHBondContact O-N 2.72Š|
| 242 | F | 29.5 | Very low | 31.7 | Very low | 205 Ų | 205 | 129.2 Ų | 129.2 | 90% | 0.899 | 71% | 0.707 | S | S | * | * | trans | -88.9 | 97.4 | 142.3 | -78.5 | -80 | 0 | 0 | 0 | 106.9 | L244 | F242-L244 PolarHBondContact O-N 2.94Š| ||
| 243 | G | 25.2 | Very low | 32.3 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -47.4 | 113.6 | 165 | 0 | 0 | 0 | 0 | 0 | 107.4 | H241 E245 | H241-G243 PolarHBondContact O-N 2.72Å; G243-E245 PolarHBondContact O-N 3.25Å | ||
| 244 | L | 30.8 | Very low | 32.8 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | -62.7 | 68.4 | 155.8 | -85.3 | 145.5 | 0 | 0 | 0 | 106.2 | F242 R246 | F242-L244 PolarHBondContact O-N 2.94Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.42Å; L244-R246 VanDerWaalsContact O-N 3.07Å | ||
| 245 | E | 30.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -47.4 | 120.4 | 139.8 | -81.8 | -159.9 | 158 | 0 | 0 | 103.8 | G243 C247 | G243-E245 PolarHBondContact O-N 3.25Å; E245-C247 PolarHBondContact O-N 3.32Å | ||
| 246 | R | 32.2 | Very low | 35 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | trans | -61.9 | 77.7 | 169.5 | -64.5 | 177.8 | -176.1 | 163.7 | 0.1 | 105.5 | L244 D248 | L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.42Å; L244-R246 VanDerWaalsContact O-N 3.07Å; R246-D248 PolarHBondContact O-N 2.96Å | ||
| 247 | C | 30.7 | Very low | 36.6 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 49% | 0.486 | 67% | 0.668 | S | S | . | * | trans | -63.3 | 83.9 | 155.5 | -84.8 | 0 | 0 | 0 | 0 | 103.5 | E245 R249 | E245-C247 PolarHBondContact O-N 3.32Å; C247-R249 HydrophobicContact CB-CB 3.98Å; C247-R249 HydrophobicContact CB-CG 3.76Å; C247-R249 PolarHBondContact O-N 2.98Å | ||
| 248 | D | 36.1 | Very low | 38.2 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | trans | -58.7 | 39.6 | 140.4 | -79.5 | -39 | 0 | 0 | 0 | 109.7 | R246 R250 | R246-D248 PolarHBondContact O-N 2.96Å; D248-R250 PolarHBondContact O-N 3.43Å | ||
| 249 | R | 33.3 | Very low | 40 | Very low | 214 Ų | 214 | 125.6 Ų | 125.6 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -71.8 | 43.6 | 156.1 | -70.3 | -173.2 | -175.6 | -165.6 | 2 | 108.3 | C247 P251 | C247-R249 HydrophobicContact CB-CB 3.98Å; C247-R249 HydrophobicContact CB-CG 3.76Å; C247-R249 PolarHBondContact O-N 2.98Å; R249-P251 WeakPolarHBondContact O-CD 3.5Å | ||
| 250 | R | 35.6 | Very low | 41.9 | Very low | 193 Ų | 193 | 122.1 Ų | 122.1 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | trans | -65.6 | 115.9 | 150.9 | -72.5 | -170.5 | -174 | -175.6 | 2.2 | 103.5 | D248 S252 | D248-R250 PolarHBondContact O-N 3.43Å; R250-S252 VanDerWaalsContact C-N 3.28Å; R250-S252 PolarHBondContact O-N 2.99Å | ||
| 251 | P | 35.2 | Very low | 44 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | trans | -62.4 | 97.2 | 178 | 24.5 | -30.3 | 0 | 0 | 0 | 107.4 | R249 L253 F254 | R249-P251 WeakPolarHBondContact O-CD 3.5Å; P251-L253 PolarHBondContact O-N 3.21Å; P251-F254 HydrophobicContact CB-CD2 3.78Å; P251-F254 HydrophobicContact CB-CE2 3.8Å; P251-F254 HydrophobicContact CG-CD2 3.75Å; P251-F254 HydrophobicContact CG-CE2 3.73Å | ||
| 252 | S | 44.3 | Very low | 46 | Very low | 94 Ų | 94 | 114.6 Ų | 114.6 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 7.3 | 178 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | R250 | R250-S252 VanDerWaalsContact C-N 3.28Å; R250-S252 PolarHBondContact O-N 2.99Å |
| 253 | L | 47.1 | Very low | 48 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -22.5 | -170.5 | -65.9 | 173.3 | 0 | 0 | 0 | 113.9 | P251 G255 R256 A257 | P251-L253 PolarHBondContact O-N 3.21Å; L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 2.9Å; L253-R256 PolarHBondContact O-N 3.44Å; L253-A257 PolarHBondContact O-N 3.46Å |
| 254 | F | 45.5 | Very low | 50.3 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -35.6 | -179.6 | -76 | -74.1 | 0 | 0 | 0 | 112.3 | P251 M321 | P251-F254 HydrophobicContact CB-CD2 3.78Å; P251-F254 HydrophobicContact CB-CE2 3.8Å; P251-F254 HydrophobicContact CG-CD2 3.75Å; P251-F254 HydrophobicContact CG-CE2 3.73Å; F254-M321 HydrophobicContact CB-CE 3.68Å; F254-M321 HydrophobicContact CG-CE 4.28Å |
| 255 | G | 50.6 | Low | 52.3 | Low | 23 Ų | 23 | 106.9 Ų | 106.9 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -73.1 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L253 V259 | L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 2.9Å; G255-V259 WeakPolarHBondContact O-CB 3.28Å; G255-V259 VanDerWaalsContact O-CG2 3.23Å; G255-V259 WeakPolarHBondContact O-CG2 3.5Å; G255-V259 PolarHBondContact O-N 2.86Å |
| 256 | R | 57.4 | Low | 54.1 | Low | 178 Ų | 178 | 101.3 Ų | 101.3 | 67% | 0.672 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -43.1 | -175.9 | -78.7 | -170.7 | -178.9 | -164.8 | -0.4 | 112.6 | L253 L258 V259 N260 | L253-R256 PolarHBondContact O-N 3.44Å; R256-L258 PolarHBondContact O-N 3.22Å; R256-V259 PolarHBondContact O-N 3.33Å; R256-N260 WeakPolarHBondContact O-CB 3.29Å; R256-N260 PolarHBondContact O-N 3.28Å; R256-N260 PolarHBondContact O-OD1 2.81Å |
| 257 | A | 61.5 | Low | 56.2 | Low | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L253 V259 N260 D261 | L253-A257 PolarHBondContact O-N 3.46Å; A257-V259 PolarHBondContact O-N 3.47Å; A257-N260 PolarHBondContact O-N 2.9Å; A257-D261 WeakPolarHBondContact O-CB 3.23Å; A257-D261 PolarHBondContact O-N 3.36Å |
| 258 | L | 62.2 | Low | 58.2 | Low | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 177.9 | -93.9 | 146.3 | 0 | 0 | 0 | 113.6 | R256 D261 L262 I314 R317 I318 M321 | R256-L258 PolarHBondContact O-N 3.22Å; L258-D261 PolarHBondContact O-N 3.31Å; L258-L262 WeakPolarHBondContact O-CB 3.46Å; L258-L262 PolarHBondContact O-N 2.83Å; L258-I314 HydrophobicContact CD2-CG2 4.32Å; L258-R317 HydrophobicContact CD2-CB 4.11Å; L258-I318 HydrophobicContact CB-CD1 4.42Å; L258-I318 HydrophobicContact CB-CG1 3.95Å; L258-I318 HydrophobicContact CD2-CG1 4.04Å; L258-M321 HydrophobicContact CD1-CG 4.36Å |
| 259 | V | 66.1 | Low | 59.9 | Low | 40 Ų | 40 | 89.7 Ų | 89.7 | 24% | 0.242 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | G255 R256 A257 D261 L262 E263 F326 | G255-V259 WeakPolarHBondContact O-CB 3.28Å; G255-V259 VanDerWaalsContact O-CG2 3.23Å; G255-V259 WeakPolarHBondContact O-CG2 3.5Å; G255-V259 PolarHBondContact O-N 2.86Å; R256-V259 PolarHBondContact O-N 3.33Å; A257-V259 PolarHBondContact O-N 3.47Å; V259-D261 VanDerWaalsContact C-N 3.32Å; V259-L262 WeakPolarHBondContact O-CB 3.25Å; V259-L262 PolarHBondContact O-N 3.03Å; V259-E263 PolarHBondContact O-N 2.95Å; V259-F326 HydrophobicContact CG2-CE1 4.13Å |
| 260 | N | 71 | Confident | 61.9 | Low | 96 Ų | 96 | 84.3 Ų | 84.3 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 174.9 | -65.8 | -6 | 0 | 0 | 0 | 111.3 | R256 A257 L262 E263 R264 | R256-N260 WeakPolarHBondContact O-CB 3.29Å; R256-N260 PolarHBondContact O-N 3.28Å; R256-N260 PolarHBondContact O-OD1 2.81Å; A257-N260 PolarHBondContact O-N 2.9Å; N260-L262 VanDerWaalsContact C-N 3.33Å; N260-E263 PolarHBondContact O-N 3.11Å; N260-R264 WeakPolarHBondContact O-CB 3.44Å; N260-R264 PolarHBondContact O-N 2.94Å |
| 261 | D | 70.9 | Confident | 63.7 | Low | 80 Ų | 80 | 77.4 Ų | 77.4 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.9 | -69.5 | -21.7 | 0 | 0 | 0 | 110.7 | A257 L258 V259 E265 | A257-D261 WeakPolarHBondContact O-CB 3.23Å; A257-D261 PolarHBondContact O-N 3.36Å; L258-D261 PolarHBondContact O-N 3.31Å; V259-D261 VanDerWaalsContact C-N 3.32Å; D261-E265 WeakPolarHBondContact O-CB 3.21Å; D261-E265 VanDerWaalsContact O-CG 3.29Å; D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.01Å |
| 262 | L | 70.3 | Confident | 65.4 | Low | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.1 | -176.3 | 72.6 | 0 | 0 | 0 | 112.1 | L258 V259 N260 E265 Y266 L311 I314 C315 I318 V337 | L258-L262 WeakPolarHBondContact O-CB 3.46Å; L258-L262 PolarHBondContact O-N 2.83Å; V259-L262 WeakPolarHBondContact O-CB 3.25Å; V259-L262 PolarHBondContact O-N 3.03Å; N260-L262 VanDerWaalsContact C-N 3.33Å; L262-E265 PolarHBondContact O-N 3.21Å; L262-Y266 VanDerWaalsContact O-CB 3.26Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 PolarHBondContact O-N 3.34Å; L262-L311 HydrophobicContact CD1-CD2 3.7Å; L262-I314 HydrophobicContact CB-CG2 3.85Å; L262-I314 HydrophobicContact CD1-CB 4.12Å; L262-I314 HydrophobicContact CD1-CG2 3.72Å; L262-I314 HydrophobicContact CG-CG2 4.39Å; L262-C315 WeakPolarHBondContact CD1-SG 3.16Å; L262-I318 HydrophobicContact CB-CD1 3.95Å; L262-I318 HydrophobicContact CD2-CD1 3.84Å; L262-I318 HydrophobicContact CG-CD1 4.32Å; L262-V337 HydrophobicContact CD2-CG1 4.47Å |
| 263 | E | 72.4 | Confident | 66.6 | Low | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 179.5 | -173.3 | 169.6 | -158.4 | 0 | 0 | 110.9 | V259 N260 E265 Y266 E267 | V259-E263 PolarHBondContact O-N 2.95Å; N260-E263 PolarHBondContact O-N 3.11Å; E263-E265 PolarHBondContact O-N 3.31Å; E263-Y266 WeakPolarHBondContact O-CB 3.27Å; E263-Y266 PolarHBondContact O-N 2.93Å; E263-Y266 VanDerWaalsContact O-N 3.16Å; E263-E267 WeakPolarHBondContact O-CG 3.36Å; E263-E267 PolarHBondContact O-N 3.26Å |
| 264 | R | 73.2 | Confident | 67.8 | Low | 139 Ų | 139 | 67.8 Ų | 67.8 | 53% | 0.525 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 177 | -178.9 | 178.9 | 177.5 | -117.9 | 7.5 | 112.8 | N260 Y266 K268 | N260-R264 WeakPolarHBondContact O-CB 3.44Å; N260-R264 PolarHBondContact O-N 2.94Å; R264-Y266 VanDerWaalsContact C-N 3.26Å; R264-Y266 PolarHBondContact O-N 3.06Å; R264-K268 WeakPolarHBondContact O-CG 3.44Å; R264-K268 PolarHBondContact O-N 3.28Å |
| 265 | E | 73.5 | Confident | 69 | Low | 22 Ų | 22 | 62.7 Ų | 62.7 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.7 | -25.3 | 179.1 | -66.4 | -50.8 | 134.4 | 0 | 0 | 112.2 | D261 L262 E263 K268 L269 Q307 L310 L311 I314 | D261-E265 WeakPolarHBondContact O-CB 3.21Å; D261-E265 VanDerWaalsContact O-CG 3.29Å; D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.01Å; L262-E265 PolarHBondContact O-N 3.21Å; E263-E265 PolarHBondContact O-N 3.31Å; E265-K268 IonicContact OE1-NZ 2.72Å; E265-K268 PolarHBondContact OE1-NZ 2.96Å; E265-K268 WeakPolarHBondContact OE2-CD 3.35Å; E265-K268 IonicContact OE2-NZ 3.38Å; E265-K268 PolarHBondContact OE2-NZ 3.39Å; E265-L269 PolarHBondContact O-N 2.96Å; E265-L269 VanDerWaalsContact O-N 3.09Å; E265-Q307 PolarHBondContact O-NE2 3.24Å; E265-Q307 PolarHBondContact OE2-NE2 3.02Å; E265-L310 HydrophobicContact CG-CD2 4.15Å; E265-L311 HydrophobicContact CB-CD2 3.76Å; E265-L311 HydrophobicContact CB-CG 4.25Å; E265-I314 HydrophobicContact CB-CD1 4.09Å; E265-I314 HydrophobicContact CG-CD1 3.74Å |
| 266 | Y | 68 | Low | 69.9 | Low | 42 Ų | 42 | 62 Ų | 62 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.1 | -42.2 | 175.5 | -179.8 | -101.4 | 0 | 0 | 0 | 111.7 | L262 E263 R264 K268 L269 Q270 L311 Q340 | L262-Y266 VanDerWaalsContact O-CB 3.26Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 PolarHBondContact O-N 3.34Å; E263-Y266 WeakPolarHBondContact O-CB 3.27Å; E263-Y266 PolarHBondContact O-N 2.93Å; E263-Y266 VanDerWaalsContact O-N 3.16Å; R264-Y266 VanDerWaalsContact C-N 3.26Å; R264-Y266 PolarHBondContact O-N 3.06Å; Y266-K268 VanDerWaalsContact C-N 3.28Å; Y266-K268 PolarHBondContact O-N 3.12Å; Y266-L269 WeakPolarHBondContact O-CB 3.5Å; Y266-L269 PolarHBondContact O-N 2.88Å; Y266-L269 VanDerWaalsContact O-N 3.11Å; Y266-Q270 HydrophobicContact CD1-CG 4.42Å; Y266-Q270 HydrophobicContact CE1-CG 4.02Å; Y266-Q270 PolarHBondContact O-N 3.13Å; Y266-Q270 PolarHBondContact OH-NE2 2.95Å; Y266-Q270 VanDerWaalsContact OH-NE2 3.12Å; Y266-L311 HydrophobicContact CD2-CD1 4.38Å; Y266-Q340 PolarHBondContact OH-OE1 2.91Å; Y266-Q340 VanDerWaalsContact OH-OE1 3.07Å |
| 267 | E | 75.3 | Confident | 70.5 | Confident | 117 Ų | 117 | 55.6 Ų | 55.6 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 171.3 | -72.5 | -177.7 | 162 | 0 | 0 | 111.7 | E263 Q270 S271 | E263-E267 WeakPolarHBondContact O-CG 3.36Å; E263-E267 PolarHBondContact O-N 3.26Å; E267-Q270 PolarHBondContact O-N 3.41Å; E267-S271 PolarHBondContact O-N 3.25Å |
| 268 | K | 72.9 | Confident | 71 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 172.8 | -72.9 | 174.3 | -177.6 | 174.7 | 0 | 112.3 | R264 E265 Y266 Q270 S271 I272 | R264-K268 WeakPolarHBondContact O-CG 3.44Å; R264-K268 PolarHBondContact O-N 3.28Å; E265-K268 IonicContact OE1-NZ 2.72Å; E265-K268 PolarHBondContact OE1-NZ 2.96Å; E265-K268 WeakPolarHBondContact OE2-CD 3.35Å; E265-K268 IonicContact OE2-NZ 3.38Å; E265-K268 PolarHBondContact OE2-NZ 3.39Å; Y266-K268 VanDerWaalsContact C-N 3.28Å; Y266-K268 PolarHBondContact O-N 3.12Å; K268-Q270 VanDerWaalsContact C-N 3.3Å; K268-Q270 PolarHBondContact O-N 3.07Å; K268-S271 WeakPolarHBondContact O-CB 3.41Å; K268-S271 PolarHBondContact O-N 3.23Å; K268-I272 VanDerWaalsContact O-CG1 3.29Å; K268-I272 WeakPolarHBondContact O-CG1 3.49Å; K268-I272 PolarHBondContact O-N 3.42Å |
| 269 | L | 72.3 | Confident | 71.2 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 176 | -178.1 | 72 | 0 | 0 | 0 | 111.1 | E265 Y266 S271 I272 F273 I304 Q307 L311 | E265-L269 PolarHBondContact O-N 2.96Å; E265-L269 VanDerWaalsContact O-N 3.09Å; Y266-L269 WeakPolarHBondContact O-CB 3.5Å; Y266-L269 PolarHBondContact O-N 2.88Å; Y266-L269 VanDerWaalsContact O-N 3.11Å; L269-S271 VanDerWaalsContact C-N 3.35Å; L269-S271 PolarHBondContact O-N 3.11Å; L269-I272 PolarHBondContact O-N 2.84Å; L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.29Å; L269-F273 PolarHBondContact O-N 3.39Å; L269-I304 HydrophobicContact CD1-CG2 3.9Å; L269-Q307 HydrophobicContact CB-CG 3.84Å; L269-Q307 HydrophobicContact CD1-CB 3.77Å; L269-Q307 HydrophobicContact CD1-CG 3.82Å; L269-Q307 HydrophobicContact CG-CG 4.45Å; L269-L311 HydrophobicContact CB-CD1 3.73Å; L269-L311 HydrophobicContact CD2-CD1 3.5Å; L269-L311 HydrophobicContact CG-CD1 4.12Å |
| 270 | Q | 74.8 | Confident | 71 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177 | -70.8 | -171.4 | -17.6 | 0 | 0 | 112 | Y266 E267 K268 F273 A274 | Y266-Q270 HydrophobicContact CD1-CG 4.42Å; Y266-Q270 HydrophobicContact CE1-CG 4.02Å; Y266-Q270 PolarHBondContact O-N 3.13Å; Y266-Q270 PolarHBondContact OH-NE2 2.95Å; Y266-Q270 VanDerWaalsContact OH-NE2 3.12Å; E267-Q270 PolarHBondContact O-N 3.41Å; K268-Q270 VanDerWaalsContact C-N 3.3Å; K268-Q270 PolarHBondContact O-N 3.07Å; Q270-F273 PolarHBondContact O-N 2.83Å; Q270-A274 WeakPolarHBondContact O-CB 3.44Å; Q270-A274 PolarHBondContact O-N 3.28Å |
| 271 | S | 73.5 | Confident | 70.8 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | E267 K268 L269 F273 A274 A275 L487 | E267-S271 PolarHBondContact O-N 3.25Å; K268-S271 WeakPolarHBondContact O-CB 3.41Å; K268-S271 PolarHBondContact O-N 3.23Å; L269-S271 VanDerWaalsContact C-N 3.35Å; L269-S271 PolarHBondContact O-N 3.11Å; S271-F273 VanDerWaalsContact C-N 3.28Å; S271-F273 PolarHBondContact O-N 2.84Å; S271-A274 PolarHBondContact O-N 3.35Å; S271-A275 PolarHBondContact O-N 3.43Å; S271-L487 WeakPolarHBondContact OG-CD1 3.36Å |
| 272 | I | 71.4 | Confident | 70.2 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.4 | -59.9 | 164.6 | 0 | 0 | 0 | 110.1 | K268 L269 A275 W276 L300 A303 I304 Q307 | K268-I272 VanDerWaalsContact O-CG1 3.29Å; K268-I272 WeakPolarHBondContact O-CG1 3.49Å; K268-I272 PolarHBondContact O-N 3.42Å; L269-I272 PolarHBondContact O-N 2.84Å; I272-A275 PolarHBondContact O-N 3.33Å; I272-W276 WeakPolarHBondContact O-CB 3.42Å; I272-W276 PolarHBondContact O-N 2.69Å; I272-L300 HydrophobicContact CG2-CD2 4.2Å; I272-A303 HydrophobicContact CG2-CB 3.94Å; I272-I304 HydrophobicContact CB-CG1 4.39Å; I272-I304 HydrophobicContact CG2-CG1 3.58Å; I272-Q307 HydrophobicContact CD1-CB 4.22Å; I272-Q307 HydrophobicContact CD1-CG 4.19Å |
| 273 | F | 69.2 | Low | 69.4 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.3 | -171.5 | -108.8 | 0 | 0 | 0 | 112.2 | L269 Q270 S271 W276 Q277 I304 T344 | L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.29Å; L269-F273 PolarHBondContact O-N 3.39Å; Q270-F273 PolarHBondContact O-N 2.83Å; S271-F273 VanDerWaalsContact C-N 3.28Å; S271-F273 PolarHBondContact O-N 2.84Å; F273-W276 AromaticContact CD2-CE3 3.99Å; F273-W276 HydrophobicContact CD2-CE3 3.99Å; F273-W276 HydrophobicContact CD2-CZ3 4.37Å; F273-W276 AromaticContact CE2-CE3 3.82Å; F273-W276 HydrophobicContact CE2-CE3 3.82Å; F273-W276 AromaticContact CE2-CZ3 3.75Å; F273-W276 HydrophobicContact CE2-CZ3 3.75Å; F273-W276 HydrophobicContact CZ-CZ3 4.4Å; F273-W276 PolarHBondContact O-N 3.23Å; F273-Q277 HydrophobicContact CD1-CG 4.43Å; F273-Q277 HydrophobicContact CE1-CG 4.27Å; F273-Q277 HydrophobicContact CZ-CG 4.49Å; F273-Q277 WeakPolarHBondContact O-CG 3.44Å; F273-Q277 PolarHBondContact O-N 3.38Å; F273-I304 HydrophobicContact CD2-CD1 4.02Å; F273-T344 HydrophobicContact CD2-CG2 4.42Å; F273-T344 HydrophobicContact CE1-CG2 4.32Å; F273-T344 HydrophobicContact CE2-CG2 4.22Å; F273-T344 HydrophobicContact CZ-CG2 4.16Å |
| 274 | A | 71.5 | Confident | 68.5 | Low | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q270 S271 W276 Q277 L278 | Q270-A274 WeakPolarHBondContact O-CB 3.44Å; Q270-A274 PolarHBondContact O-N 3.28Å; S271-A274 PolarHBondContact O-N 3.35Å; A274-W276 VanDerWaalsContact C-N 3.32Å; A274-W276 PolarHBondContact O-N 3.34Å; A274-Q277 PolarHBondContact O-N 2.96Å; A274-L278 WeakPolarHBondContact O-CG 3.32Å; A274-L278 PolarHBondContact O-N 3.09Å |
| 275 | A | 70.6 | Confident | 67.5 | Low | 25 Ų | 25 | 54.7 Ų | 54.7 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S271 I272 L278 S279 L300 | S271-A275 PolarHBondContact O-N 3.43Å; I272-A275 PolarHBondContact O-N 3.33Å; A275-L278 PolarHBondContact O-N 3.33Å; A275-S279 PolarHBondContact O-N 3.12Å; A275-L300 HydrophobicContact CB-CD2 4.3Å |
| 276 | W | 70.7 | Confident | 66.4 | Low | 8 Ų | 8 | 59.5 Ų | 59.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.1 | -179.2 | 70.4 | 0 | 0 | 0 | 112.4 | I272 F273 A274 L278 S279 L280 S297 L300 I304 M348 R351 | I272-W276 WeakPolarHBondContact O-CB 3.42Å; I272-W276 PolarHBondContact O-N 2.69Å; F273-W276 AromaticContact CD2-CE3 3.99Å; F273-W276 HydrophobicContact CD2-CE3 3.99Å; F273-W276 HydrophobicContact CD2-CZ3 4.37Å; F273-W276 AromaticContact CE2-CE3 3.82Å; F273-W276 HydrophobicContact CE2-CE3 3.82Å; F273-W276 AromaticContact CE2-CZ3 3.75Å; F273-W276 HydrophobicContact CE2-CZ3 3.75Å; F273-W276 HydrophobicContact CZ-CZ3 4.4Å; F273-W276 PolarHBondContact O-N 3.23Å; A274-W276 VanDerWaalsContact C-N 3.32Å; A274-W276 PolarHBondContact O-N 3.34Å; W276-L278 VanDerWaalsContact C-N 3.33Å; W276-L278 PolarHBondContact O-N 3.24Å; W276-S279 WeakPolarHBondContact O-CB 3.3Å; W276-S279 PolarHBondContact O-N 2.98Å; W276-L280 HydrophobicContact CD2-CD1 3.83Å; W276-L280 HydrophobicContact CD2-CG 4.45Å; W276-L280 HydrophobicContact CE3-CD1 3.94Å; W276-L280 HydrophobicContact CH2-CD1 3.6Å; W276-L280 HydrophobicContact CZ2-CD1 3.47Å; W276-L280 VanDerWaalsContact CZ2-CD1 3.47Å; W276-L280 HydrophobicContact CZ2-CG 4.42Å; W276-L280 HydrophobicContact CZ3-CD1 3.83Å; W276-L280 WeakPolarHBondContact O-CG 3.35Å; W276-L280 PolarHBondContact O-N 3.33Å; W276-S297 PolarHBondContact NE1-O 3.06Å; W276-L300 HydrophobicContact CB-CB 4.02Å; W276-L300 HydrophobicContact CB-CD1 4.46Å; W276-L300 HydrophobicContact CG-CB 4.23Å; W276-I304 HydrophobicContact CB-CD1 3.61Å; W276-I304 HydrophobicContact CD2-CD1 3.79Å; W276-I304 HydrophobicContact CE3-CD1 4.1Å; W276-I304 HydrophobicContact CG-CD1 3.59Å; W276-M348 HydrophobicContact CH2-CG 3.88Å; W276-M348 HydrophobicContact CZ2-CG 4.37Å; W276-M348 HydrophobicContact CZ3-CG 4.26Å; W276-R351 HydrophobicContact CH2-CB 4.44Å |
| 277 | Q | 69.6 | Low | 65.5 | Low | 43 Ų | 43 | 63.5 Ų | 63.5 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.6 | -72.8 | -168.4 | -0.4 | 0 | 0 | 112.5 | F273 A274 L280 R281 | F273-Q277 HydrophobicContact CD1-CG 4.43Å; F273-Q277 HydrophobicContact CE1-CG 4.27Å; F273-Q277 HydrophobicContact CZ-CG 4.49Å; F273-Q277 WeakPolarHBondContact O-CG 3.44Å; F273-Q277 PolarHBondContact O-N 3.38Å; A274-Q277 PolarHBondContact O-N 2.96Å; Q277-L280 PolarHBondContact O-N 3.05Å; Q277-R281 WeakPolarHBondContact O-CG 3.45Å; Q277-R281 PolarHBondContact O-N 3.33Å |
| 278 | L | 72.4 | Confident | 64.2 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 174.6 | -72.9 | 170.2 | 0 | 0 | 0 | 111.5 | A274 A275 W276 L280 R281 S282 | A274-L278 WeakPolarHBondContact O-CG 3.32Å; A274-L278 PolarHBondContact O-N 3.09Å; A275-L278 PolarHBondContact O-N 3.33Å; W276-L278 VanDerWaalsContact C-N 3.33Å; W276-L278 PolarHBondContact O-N 3.24Å; L278-L280 PolarHBondContact O-N 3.35Å; L278-R281 PolarHBondContact O-N 3.03Å; L278-S282 PolarHBondContact O-N 3.43Å; L278-S282 PolarHBondContact O-OG 3.45Å |
| 279 | S | 65.3 | Low | 63.2 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 175 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | A275 W276 S282 D283 | A275-S279 PolarHBondContact O-N 3.12Å; W276-S279 WeakPolarHBondContact O-CB 3.3Å; W276-S279 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-N 3.19Å; S279-S282 PolarHBondContact O-OG 3.03Å; S279-D283 PolarHBondContact O-N 3.04Å; S279-D283 VanDerWaalsContact O-N 3.09Å |
| 280 | L | 62.9 | Low | 62.2 | Low | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 177.1 | -71.3 | 174.8 | 0 | 0 | 0 | 112.9 | W276 Q277 L278 S282 D283 T284 | W276-L280 HydrophobicContact CD2-CD1 3.83Å; W276-L280 HydrophobicContact CD2-CG 4.45Å; W276-L280 HydrophobicContact CE3-CD1 3.94Å; W276-L280 HydrophobicContact CH2-CD1 3.6Å; W276-L280 HydrophobicContact CZ2-CD1 3.47Å; W276-L280 VanDerWaalsContact CZ2-CD1 3.47Å; W276-L280 HydrophobicContact CZ2-CG 4.42Å; W276-L280 HydrophobicContact CZ3-CD1 3.83Å; W276-L280 WeakPolarHBondContact O-CG 3.35Å; W276-L280 PolarHBondContact O-N 3.33Å; Q277-L280 PolarHBondContact O-N 3.05Å; L278-L280 PolarHBondContact O-N 3.35Å; L280-S282 VanDerWaalsContact C-N 3.33Å; L280-D283 WeakPolarHBondContact O-CB 3.1Å; L280-D283 PolarHBondContact O-N 3.1Å; L280-T284 PolarHBondContact O-N 2.88Å |
| 281 | R | 65.5 | Low | 61.4 | Low | 159 Ų | 159 | 69.2 Ų | 69.2 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 174.5 | -73.1 | 179.5 | -179.6 | -172.1 | 2.3 | 111.4 | Q277 L278 D283 T284 E285 | Q277-R281 WeakPolarHBondContact O-CG 3.45Å; Q277-R281 PolarHBondContact O-N 3.33Å; L278-R281 PolarHBondContact O-N 3.03Å; R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 2.95Å; R281-T284 PolarHBondContact O-N 3.13Å; R281-T284 PolarHBondContact O-OG1 3.31Å; R281-E285 PolarHBondContact O-N 2.81Å |
| 282 | S | 58.8 | Low | 60.8 | Low | 24 Ų | 24 | 71.8 Ų | 71.8 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.9 | -27.2 | 176.8 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | L278 S279 L280 T284 E285 K286 | L278-S282 PolarHBondContact O-N 3.43Å; L278-S282 PolarHBondContact O-OG 3.45Å; S279-S282 PolarHBondContact O-N 3.19Å; S279-S282 PolarHBondContact O-OG 3.03Å; L280-S282 VanDerWaalsContact C-N 3.33Å; S282-T284 VanDerWaalsContact C-N 3.31Å; S282-E285 PolarHBondContact O-N 3.38Å; S282-K286 WeakPolarHBondContact O-CB 3.37Å; S282-K286 PolarHBondContact O-N 3.12Å |
| 283 | D | 54.2 | Low | 60.3 | Low | 49 Ų | 49 | 70.8 Ų | 70.8 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 170.2 | -88.3 | -26.5 | 0 | 0 | 0 | 112 | S279 L280 R281 S293 | S279-D283 PolarHBondContact O-N 3.04Å; S279-D283 VanDerWaalsContact O-N 3.09Å; L280-D283 WeakPolarHBondContact O-CB 3.1Å; L280-D283 PolarHBondContact O-N 3.1Å; R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 2.95Å; D283-S293 WeakPolarHBondContact OD1-CB 3.38Å; D283-S293 PolarHBondContact OD1-OG 3.19Å |
| 284 | T | 52.4 | Low | 60.1 | Low | 105 Ų | 105 | 77.8 Ų | 77.8 | 64% | 0.644 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73.1 | -28.5 | 178.3 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | L280 R281 S282 | L280-T284 PolarHBondContact O-N 2.88Å; R281-T284 PolarHBondContact O-N 3.13Å; R281-T284 PolarHBondContact O-OG1 3.31Å; S282-T284 VanDerWaalsContact C-N 3.31Å |
| 285 | E | 53.2 | Low | 59.9 | Low | 137 Ų | 137 | 77.7 Ų | 77.7 | 64% | 0.64 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -85.5 | -35.6 | 177.4 | -72.2 | 176.8 | 177.2 | 0 | 0 | 112.5 | R281 S282 T287 | R281-E285 PolarHBondContact O-N 2.81Å; S282-E285 PolarHBondContact O-N 3.38Å; E285-T287 PolarHBondContact O-N 3.17Å |
| 286 | K | 49.1 | Very low | 59.9 | Low | 123 Ų | 123 | 80 Ų | 80 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -85.4 | 82.9 | 179.2 | -70.4 | -175.2 | -179.4 | 179.9 | 0 | 111.1 | S282 A288 | S282-K286 WeakPolarHBondContact O-CB 3.37Å; S282-K286 PolarHBondContact O-N 3.12Å; K286-A288 PolarHBondContact O-N 3.3Å |
| 287 | T | 49.9 | Very low | 59.7 | Low | 125 Ų | 125 | 80.2 Ų | 80.2 | 77% | 0.767 | 43% | 0.43 | S | S | * | . | trans | -45.6 | 112.5 | 166.7 | 42 | 0 | 0 | 0 | 0 | 112.3 | E285 S289 | E285-T287 PolarHBondContact O-N 3.17Å; T287-S289 PolarHBondContact O-N 3.05Å | ||
| 288 | A | 48.3 | Very low | 59.9 | Low | 111 Ų | 111 | 83.2 Ų | 83.2 | 92% | 0.917 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 72.4 | -3.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | K286 | K286-A288 PolarHBondContact O-N 3.3Š|
| 289 | S | 50.8 | Low | 60.1 | Low | 97 Ų | 97 | 83.8 Ų | 83.8 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | trans | -124.3 | -14.3 | -174 | 65.2 | 0 | 0 | 0 | 0 | 119.1 | T287 I291 | T287-S289 PolarHBondContact O-N 3.05Å; S289-I291 PolarHBondContact O-N 2.92Å | ||
| 290 | N | 52.6 | Low | 60.4 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 35% | 0.348 | 46% | 0.455 | S | S | . | . | trans | -94.7 | 95.2 | -176.2 | -97.7 | -12.2 | 0 | 0 | 0 | 112.6 | D292 S293 | N290-D292 PolarHBondContact O-N 2.96Å; N290-S293 WeakPolarHBondContact CB-OG 3.48Å; N290-S293 PolarHBondContact O-N 3.45Å; N290-S293 PolarHBondContact O-OG 3.5Å; N290-S293 VanDerWaalsContact O-OG 3.04Å | ||
| 291 | I | 56.9 | Low | 61 | Low | 146 Ų | 146 | 86.8 Ų | 86.8 | 75% | 0.749 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.6 | -29.7 | 161.5 | -65.8 | 169 | 0 | 0 | 0 | 110.1 | S289 A295 | S289-I291 PolarHBondContact O-N 2.92Å; I291-A295 PolarHBondContact O-N 2.92Å; I291-A295 VanDerWaalsContact O-N 3.13Å |
| 292 | D | 62 | Low | 61.5 | Low | 101 Ų | 101 | 86.1 Ų | 86.1 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | -178.1 | -65.8 | -17.6 | 0 | 0 | 0 | 113.2 | N290 R294 A295 E296 | N290-D292 PolarHBondContact O-N 2.96Å; D292-R294 VanDerWaalsContact C-N 3.3Å; D292-R294 PolarHBondContact O-N 3.45Å; D292-A295 WeakPolarHBondContact O-CB 3.44Å; D292-A295 PolarHBondContact O-N 3.45Å; D292-A295 VanDerWaalsContact O-N 3.1Å; D292-E296 WeakPolarHBondContact O-CG 3.42Å; D292-E296 PolarHBondContact O-N 3.46Å |
| 293 | S | 60.9 | Low | 62.1 | Low | 8 Ų | 8 | 86.2 Ų | 86.2 | 6% | 0.056 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.6 | -31.9 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | D283 N290 E296 S297 | D283-S293 WeakPolarHBondContact OD1-CB 3.38Å; D283-S293 PolarHBondContact OD1-OG 3.19Å; N290-S293 WeakPolarHBondContact CB-OG 3.48Å; N290-S293 PolarHBondContact O-N 3.45Å; N290-S293 PolarHBondContact O-OG 3.5Å; N290-S293 VanDerWaalsContact O-OG 3.04Å; S293-E296 PolarHBondContact O-N 3Å; S293-S297 WeakPolarHBondContact O-CB 3.49Å; S293-S297 PolarHBondContact O-N 3.22Å; S293-S297 PolarHBondContact O-OG 2.83Å |
| 294 | R | 65 | Low | 63.1 | Low | 171 Ų | 171 | 84 Ų | 84 | 65% | 0.645 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.3 | -37.2 | 170.7 | -171.3 | 176.7 | -174.1 | 169 | 6 | 112.6 | D292 S297 Q298 | D292-R294 VanDerWaalsContact C-N 3.3Å; D292-R294 PolarHBondContact O-N 3.45Å; R294-S297 WeakPolarHBondContact CA-OG 3.29Å; R294-S297 PolarHBondContact O-OG 3.49Å; R294-S297 VanDerWaalsContact O-OG 3.06Å; R294-Q298 VanDerWaalsContact O-CG 3.31Å; R294-Q298 WeakPolarHBondContact O-CG 3.42Å; R294-Q298 PolarHBondContact O-N 3.48Å |
| 295 | A | 66.9 | Low | 64.2 | Low | 46 Ų | 46 | 83.2 Ų | 83.2 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I291 D292 Q298 V299 | I291-A295 PolarHBondContact O-N 2.92Å; I291-A295 VanDerWaalsContact O-N 3.13Å; D292-A295 WeakPolarHBondContact O-CB 3.44Å; D292-A295 PolarHBondContact O-N 3.45Å; D292-A295 VanDerWaalsContact O-N 3.1Å; A295-Q298 PolarHBondContact O-N 3.26Å; A295-V299 WeakPolarHBondContact O-CG2 3.26Å; A295-V299 PolarHBondContact O-N 2.95Å |
| 296 | E | 70.4 | Confident | 65.2 | Low | 74 Ų | 74 | 80.2 Ų | 80.2 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 174.5 | -73.7 | 176.5 | -172.8 | 0 | 0 | 111.8 | D292 S293 Q298 V299 L300 | D292-E296 WeakPolarHBondContact O-CG 3.42Å; D292-E296 PolarHBondContact O-N 3.46Å; S293-E296 PolarHBondContact O-N 3Å; E296-Q298 VanDerWaalsContact C-N 3.31Å; E296-Q298 PolarHBondContact O-N 3.04Å; E296-V299 PolarHBondContact O-N 3.46Å; E296-L300 WeakPolarHBondContact O-CB 3.35Å; E296-L300 WeakPolarHBondContact O-CG 3.39Å; E296-L300 PolarHBondContact O-N 2.91Å |
| 297 | S | 67.2 | Low | 66.4 | Low | 12 Ų | 12 | 75.5 Ų | 75.5 | 8% | 0.084 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.6 | -32.5 | 179 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | W276 S293 R294 Q301 | W276-S297 PolarHBondContact NE1-O 3.06Å; S293-S297 WeakPolarHBondContact O-CB 3.49Å; S293-S297 PolarHBondContact O-N 3.22Å; S293-S297 PolarHBondContact O-OG 2.83Å; R294-S297 WeakPolarHBondContact CA-OG 3.29Å; R294-S297 PolarHBondContact O-OG 3.49Å; R294-S297 VanDerWaalsContact O-OG 3.06Å; S297-Q301 VanDerWaalsContact O-CB 3.32Å; S297-Q301 WeakPolarHBondContact O-CB 3.47Å; S297-Q301 PolarHBondContact O-N 3.47Å |
| 298 | Q | 74.3 | Confident | 67.5 | Low | 106 Ų | 106 | 70.8 Ų | 70.8 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 173 | -74.8 | 177.4 | 5.7 | 0 | 0 | 112.8 | R294 A295 E296 L300 Q301 Q302 | R294-Q298 VanDerWaalsContact O-CG 3.31Å; R294-Q298 WeakPolarHBondContact O-CG 3.42Å; R294-Q298 PolarHBondContact O-N 3.48Å; A295-Q298 PolarHBondContact O-N 3.26Å; E296-Q298 VanDerWaalsContact C-N 3.31Å; E296-Q298 PolarHBondContact O-N 3.04Å; Q298-L300 VanDerWaalsContact C-N 3.34Å; Q298-Q301 PolarHBondContact O-N 3.4Å; Q298-Q302 PolarHBondContact O-N 3.19Å |
| 299 | V | 74.7 | Confident | 68.9 | Low | 81 Ų | 81 | 69.8 Ų | 69.8 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | A295 E296 Q301 Q302 A303 | A295-V299 WeakPolarHBondContact O-CG2 3.26Å; A295-V299 PolarHBondContact O-N 2.95Å; E296-V299 PolarHBondContact O-N 3.46Å; V299-Q301 PolarHBondContact O-N 2.91Å; V299-Q302 PolarHBondContact O-N 2.97Å; V299-A303 PolarHBondContact O-N 3.35Å |
| 300 | L | 71.7 | Confident | 70.1 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.1 | -75.1 | 168.3 | 0 | 0 | 0 | 111.7 | I272 A275 W276 E296 Q298 Q302 A303 I304 I491 | I272-L300 HydrophobicContact CG2-CD2 4.2Å; A275-L300 HydrophobicContact CB-CD2 4.3Å; W276-L300 HydrophobicContact CB-CB 4.02Å; W276-L300 HydrophobicContact CB-CD1 4.46Å; W276-L300 HydrophobicContact CG-CB 4.23Å; E296-L300 WeakPolarHBondContact O-CB 3.35Å; E296-L300 WeakPolarHBondContact O-CG 3.39Å; E296-L300 PolarHBondContact O-N 2.91Å; Q298-L300 VanDerWaalsContact C-N 3.34Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 3.37Å; L300-A303 WeakPolarHBondContact O-CB 3.5Å; L300-A303 PolarHBondContact O-N 3.35Å; L300-I304 VanDerWaalsContact O-CG1 3.26Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 2.9Å; L300-I491 HydrophobicContact CD2-CD1 4.42Å |
| 301 | Q | 76 | Confident | 71 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 29% | 0.29 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 174 | -173.2 | 178.9 | 10.5 | 0 | 0 | 111.9 | S297 Q298 V299 A303 I304 L305 M348 | S297-Q301 VanDerWaalsContact O-CB 3.32Å; S297-Q301 WeakPolarHBondContact O-CB 3.47Å; S297-Q301 PolarHBondContact O-N 3.47Å; Q298-Q301 PolarHBondContact O-N 3.4Å; V299-Q301 PolarHBondContact O-N 2.91Å; Q301-A303 VanDerWaalsContact C-N 3.34Å; Q301-I304 PolarHBondContact O-N 3.49Å; Q301-L305 WeakPolarHBondContact O-CG 3.31Å; Q301-L305 PolarHBondContact O-N 2.64Å; Q301-L305 VanDerWaalsContact O-N 3.14Å; Q301-M348 HydrophobicContact CG-SD 4.49Å |
| 302 | Q | 76.2 | Confident | 71.8 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 176.1 | -172.7 | 174.9 | -3 | 0 | 0 | 111.7 | Q298 V299 L300 L305 S306 | Q298-Q302 PolarHBondContact O-N 3.19Å; V299-Q302 PolarHBondContact O-N 2.97Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 3.37Å; Q302-L305 PolarHBondContact O-N 3.47Å; Q302-S306 PolarHBondContact O-N 2.88Å; Q302-S306 PolarHBondContact O-OG 3.41Å |
| 303 | A | 71.8 | Confident | 72.3 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I272 V299 L300 Q301 L305 S306 Q307 | I272-A303 HydrophobicContact CG2-CB 3.94Å; V299-A303 PolarHBondContact O-N 3.35Å; L300-A303 WeakPolarHBondContact O-CB 3.5Å; L300-A303 PolarHBondContact O-N 3.35Å; Q301-A303 VanDerWaalsContact C-N 3.34Å; A303-L305 VanDerWaalsContact C-N 3.35Å; A303-L305 PolarHBondContact O-N 3.48Å; A303-S306 WeakPolarHBondContact CA-OG 3.38Å; A303-S306 PolarHBondContact O-N 3.27Å; A303-S306 PolarHBondContact O-OG 3.02Å; A303-Q307 WeakPolarHBondContact O-CB 3.4Å; A303-Q307 PolarHBondContact O-N 2.98Å |
| 304 | I | 74.7 | Confident | 72.8 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 176.8 | -63.7 | 161.9 | 0 | 0 | 0 | 110.9 | L269 I272 F273 W276 L300 Q301 S306 Q307 H308 M348 | L269-I304 HydrophobicContact CD1-CG2 3.9Å; I272-I304 HydrophobicContact CB-CG1 4.39Å; I272-I304 HydrophobicContact CG2-CG1 3.58Å; F273-I304 HydrophobicContact CD2-CD1 4.02Å; W276-I304 HydrophobicContact CB-CD1 3.61Å; W276-I304 HydrophobicContact CD2-CD1 3.79Å; W276-I304 HydrophobicContact CE3-CD1 4.1Å; W276-I304 HydrophobicContact CG-CD1 3.59Å; L300-I304 VanDerWaalsContact O-CG1 3.26Å; L300-I304 WeakPolarHBondContact O-CG1 3.44Å; L300-I304 PolarHBondContact O-N 2.9Å; Q301-I304 PolarHBondContact O-N 3.49Å; I304-S306 PolarHBondContact O-N 2.86Å; I304-Q307 PolarHBondContact O-N 3.09Å; I304-H308 VanDerWaalsContact O-CB 3.27Å; I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-N 2.86Å; I304-M348 HydrophobicContact CB-CE 4.33Å; I304-M348 HydrophobicContact CG2-CE 3.32Å; I304-M348 HydrophobicContact CG2-SD 4.22Å |
| 305 | L | 75.9 | Confident | 72.9 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 179.2 | -69.5 | 175.7 | 0 | 0 | 0 | 112 | Q301 Q302 A303 H308 Q309 M348 | Q301-L305 WeakPolarHBondContact O-CG 3.31Å; Q301-L305 PolarHBondContact O-N 2.64Å; Q301-L305 VanDerWaalsContact O-N 3.14Å; Q302-L305 PolarHBondContact O-N 3.47Å; A303-L305 VanDerWaalsContact C-N 3.35Å; A303-L305 PolarHBondContact O-N 3.48Å; L305-H308 PolarHBondContact O-N 2.95Å; L305-Q309 PolarHBondContact O-N 3.31Å; L305-M348 HydrophobicContact CD2-CE 4.46Å; L305-M348 HydrophobicContact CD2-SD 4.34Å |
| 306 | S | 73.7 | Confident | 73.1 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 177.3 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | Q302 A303 I304 Q309 L310 | Q302-S306 PolarHBondContact O-N 2.88Å; Q302-S306 PolarHBondContact O-OG 3.41Å; A303-S306 WeakPolarHBondContact CA-OG 3.38Å; A303-S306 PolarHBondContact O-N 3.27Å; A303-S306 PolarHBondContact O-OG 3.02Å; I304-S306 PolarHBondContact O-N 2.86Å; S306-Q309 PolarHBondContact O-N 3.31Å; S306-L310 PolarHBondContact O-N 3.29Å |
| 307 | Q | 74.7 | Confident | 72.9 | Confident | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 178.7 | -170 | 67.5 | 11.9 | 0 | 0 | 111.6 | E265 L269 I272 A303 I304 Q309 L310 L311 | E265-Q307 PolarHBondContact O-NE2 3.24Å; E265-Q307 PolarHBondContact OE2-NE2 3.02Å; L269-Q307 HydrophobicContact CB-CG 3.84Å; L269-Q307 HydrophobicContact CD1-CB 3.77Å; L269-Q307 HydrophobicContact CD1-CG 3.82Å; L269-Q307 HydrophobicContact CG-CG 4.45Å; I272-Q307 HydrophobicContact CD1-CB 4.22Å; I272-Q307 HydrophobicContact CD1-CG 4.19Å; A303-Q307 WeakPolarHBondContact O-CB 3.4Å; A303-Q307 PolarHBondContact O-N 2.98Å; I304-Q307 PolarHBondContact O-N 3.09Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å; Q307-L310 PolarHBondContact O-N 2.95Å; Q307-L311 PolarHBondContact O-N 3.45Å |
| 308 | H | 72.8 | Confident | 72.7 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 174 | -170.9 | -93.2 | 0 | 0 | 0 | 111.9 | I304 L305 L311 R312 M341 E345 | I304-H308 VanDerWaalsContact O-CB 3.27Å; I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-N 2.86Å; L305-H308 PolarHBondContact O-N 2.95Å; H308-L311 PolarHBondContact O-N 3.17Å; H308-R312 PolarHBondContact O-N 2.75Å; H308-M341 WeakPolarHBondContact CD2-CE 3.43Å; H308-M341 WeakPolarHBondContact NE2-CE 3.47Å; H308-M341 WeakPolarHBondContact O-CE 3.46Å; H308-E345 IonicContact CE1-OE2 3.47Å; H308-E345 PolarHBondContact CE1-OE2 3.22Å |
| 309 | Q | 78 | Confident | 72.1 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 174.3 | -174.6 | 59.7 | 46.2 | 0 | 0 | 111.5 | L305 S306 Q307 L311 R312 D313 | L305-Q309 PolarHBondContact O-N 3.31Å; S306-Q309 PolarHBondContact O-N 3.31Å; Q307-Q309 VanDerWaalsContact C-N 3.35Å; Q309-L311 VanDerWaalsContact C-N 3.34Å; Q309-L311 PolarHBondContact O-N 3.36Å; Q309-R312 WeakPolarHBondContact O-CB 3.42Å; Q309-R312 PolarHBondContact O-N 3.45Å; Q309-D313 PolarHBondContact NE2-OD1 2.99Å; Q309-D313 PolarHBondContact O-N 3.47Å |
| 310 | L | 74.8 | Confident | 71.8 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.9 | 179.4 | 66 | 0 | 0 | 0 | 111.8 | E265 S306 Q307 R312 D313 I314 | E265-L310 HydrophobicContact CG-CD2 4.15Å; S306-L310 PolarHBondContact O-N 3.29Å; Q307-L310 PolarHBondContact O-N 2.95Å; L310-R312 VanDerWaalsContact C-N 3.33Å; L310-R312 PolarHBondContact O-N 2.86Å; L310-D313 PolarHBondContact O-N 3.24Å; L310-I314 HydrophobicContact CD1-CD1 4.48Å; L310-I314 HydrophobicContact CG-CD1 4.14Å; L310-I314 WeakPolarHBondContact O-CG1 3.38Å; L310-I314 PolarHBondContact O-N 3.41Å |
| 311 | L | 73.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.9 | -82.7 | 165.5 | 0 | 0 | 0 | 112.8 | L262 E265 Y266 L269 Q307 H308 Q309 D313 I314 C315 M341 | L262-L311 HydrophobicContact CD1-CD2 3.7Å; E265-L311 HydrophobicContact CB-CD2 3.76Å; E265-L311 HydrophobicContact CB-CG 4.25Å; Y266-L311 HydrophobicContact CD2-CD1 4.38Å; L269-L311 HydrophobicContact CB-CD1 3.73Å; L269-L311 HydrophobicContact CD2-CD1 3.5Å; L269-L311 HydrophobicContact CG-CD1 4.12Å; Q307-L311 PolarHBondContact O-N 3.45Å; H308-L311 PolarHBondContact O-N 3.17Å; Q309-L311 VanDerWaalsContact C-N 3.34Å; Q309-L311 PolarHBondContact O-N 3.36Å; L311-D313 VanDerWaalsContact C-N 3.34Å; L311-I314 PolarHBondContact O-N 3.36Å; L311-C315 PolarHBondContact O-N 2.91Å; L311-C315 PolarHBondContact O-SG 2.92Å; L311-M341 HydrophobicContact CB-CE 3.48Å; L311-M341 VanDerWaalsContact CB-CE 3.48Å; L311-M341 HydrophobicContact CB-SD 3.87Å; L311-M341 HydrophobicContact CD1-CE 4.34Å; L311-M341 HydrophobicContact CD1-SD 4.47Å |
| 312 | R | 71.9 | Confident | 69.8 | Low | 121 Ų | 121 | 65.5 Ų | 65.5 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.7 | -175.1 | -179.4 | 170 | -171.3 | -1.8 | 111.1 | H308 Q309 L310 I314 C315 E316 | H308-R312 PolarHBondContact O-N 2.75Å; Q309-R312 WeakPolarHBondContact O-CB 3.42Å; Q309-R312 PolarHBondContact O-N 3.45Å; L310-R312 VanDerWaalsContact C-N 3.33Å; L310-R312 PolarHBondContact O-N 2.86Å; R312-I314 VanDerWaalsContact C-N 3.32Å; R312-I314 PolarHBondContact O-N 3.14Å; R312-C315 PolarHBondContact O-N 3.39Å; R312-E316 IonicContact CZ-OE1 3.44Å; R312-E316 IonicContact NE-OE1 2.95Å; R312-E316 PolarHBondContact NE-OE1 3.05Å; R312-E316 IonicContact NH2-OE1 3.13Å; R312-E316 PolarHBondContact NH2-OE1 3.17Å; R312-E316 VanDerWaalsContact NH2-OE1 3.13Å; R312-E316 WeakPolarHBondContact O-CG 3.45Å; R312-E316 PolarHBondContact O-N 3.45Å |
| 313 | D | 72.8 | Confident | 68.3 | Low | 61 Ų | 61 | 63.4 Ų | 63.4 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.7 | -66 | -6.5 | 0 | 0 | 0 | 111.4 | Q309 L310 L311 E316 R317 | Q309-D313 PolarHBondContact NE2-OD1 2.99Å; Q309-D313 PolarHBondContact O-N 3.47Å; L310-D313 PolarHBondContact O-N 3.24Å; L311-D313 VanDerWaalsContact C-N 3.34Å; D313-E316 PolarHBondContact O-N 3.47Å; D313-R317 VanDerWaalsContact O-CG 3.3Å; D313-R317 WeakPolarHBondContact O-CG 3.33Å; D313-R317 PolarHBondContact O-N 2.83Å |
| 314 | I | 72.4 | Confident | 67 | Low | 17 Ų | 17 | 67.3 Ų | 67.3 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 174.7 | -64.8 | 166.9 | 0 | 0 | 0 | 110.5 | L258 L262 E265 L310 L311 R312 E316 R317 I318 | L258-I314 HydrophobicContact CD2-CG2 4.32Å; L262-I314 HydrophobicContact CB-CG2 3.85Å; L262-I314 HydrophobicContact CD1-CB 4.12Å; L262-I314 HydrophobicContact CD1-CG2 3.72Å; L262-I314 HydrophobicContact CG-CG2 4.39Å; E265-I314 HydrophobicContact CB-CD1 4.09Å; E265-I314 HydrophobicContact CG-CD1 3.74Å; L310-I314 HydrophobicContact CD1-CD1 4.48Å; L310-I314 HydrophobicContact CG-CD1 4.14Å; L310-I314 WeakPolarHBondContact O-CG1 3.38Å; L310-I314 PolarHBondContact O-N 3.41Å; L311-I314 PolarHBondContact O-N 3.36Å; R312-I314 VanDerWaalsContact C-N 3.32Å; R312-I314 PolarHBondContact O-N 3.14Å; I314-E316 PolarHBondContact O-N 2.86Å; I314-R317 PolarHBondContact O-N 3.06Å; I314-I318 HydrophobicContact CG2-CD1 3.86Å; I314-I318 HydrophobicContact CG2-CG1 4.43Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.35Å; I314-I318 PolarHBondContact O-N 3.12Å |
| 315 | C | 66.5 | Low | 65.6 | Low | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.8 | -70.3 | 0 | 0 | 0 | 0 | 112 | L262 L311 R312 R317 I318 L319 V334 L338 | L262-C315 WeakPolarHBondContact CD1-SG 3.16Å; L311-C315 PolarHBondContact O-N 2.91Å; L311-C315 PolarHBondContact O-SG 2.92Å; R312-C315 PolarHBondContact O-N 3.39Å; C315-R317 VanDerWaalsContact C-N 3.35Å; C315-R317 PolarHBondContact O-N 3.27Å; C315-I318 PolarHBondContact O-N 2.96Å; C315-L319 VanDerWaalsContact O-CG 3.32Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.03Å; C315-V334 HydrophobicContact CB-CG1 4.4Å; C315-L338 HydrophobicContact CB-CD1 4.36Å |
| 316 | E | 70.9 | Confident | 64 | Low | 76 Ų | 76 | 67.1 Ų | 67.1 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.4 | -74.6 | -176.8 | -170.3 | 0 | 0 | 111.1 | R312 D313 I314 L319 Q320 | R312-E316 IonicContact CZ-OE1 3.44Å; R312-E316 IonicContact NE-OE1 2.95Å; R312-E316 PolarHBondContact NE-OE1 3.05Å; R312-E316 IonicContact NH2-OE1 3.13Å; R312-E316 PolarHBondContact NH2-OE1 3.17Å; R312-E316 VanDerWaalsContact NH2-OE1 3.13Å; R312-E316 WeakPolarHBondContact O-CG 3.45Å; R312-E316 PolarHBondContact O-N 3.45Å; D313-E316 PolarHBondContact O-N 3.47Å; I314-E316 PolarHBondContact O-N 2.86Å; E316-L319 PolarHBondContact O-N 2.84Å; E316-Q320 WeakPolarHBondContact O-CB 3.47Å; E316-Q320 VanDerWaalsContact O-CG 3.25Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.85Å |
| 317 | R | 66.1 | Low | 62.5 | Low | 157 Ų | 157 | 72 Ų | 72 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 172.7 | -72.6 | 176.3 | -168.9 | -169.2 | 5.3 | 112.4 | L258 D313 I314 C315 L319 Q320 M321 | L258-R317 HydrophobicContact CD2-CB 4.11Å; D313-R317 VanDerWaalsContact O-CG 3.3Å; D313-R317 WeakPolarHBondContact O-CG 3.33Å; D313-R317 PolarHBondContact O-N 2.83Å; I314-R317 PolarHBondContact O-N 3.06Å; C315-R317 VanDerWaalsContact C-N 3.35Å; C315-R317 PolarHBondContact O-N 3.27Å; R317-L319 VanDerWaalsContact C-N 3.35Å; R317-L319 PolarHBondContact O-N 3.5Å; R317-Q320 PolarHBondContact O-N 2.92Å; R317-M321 VanDerWaalsContact O-CG 3.3Å; R317-M321 WeakPolarHBondContact O-CG 3.48Å; R317-M321 PolarHBondContact O-N 2.89Å; R317-M321 VanDerWaalsContact O-N 3.15Å |
| 318 | I | 63.9 | Low | 61.1 | Low | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 176.7 | -72.7 | 170.9 | 0 | 0 | 0 | 110.7 | L258 L262 I314 C315 Q320 M321 F326 V334 | L258-I318 HydrophobicContact CB-CD1 4.42Å; L258-I318 HydrophobicContact CB-CG1 3.95Å; L258-I318 HydrophobicContact CD2-CG1 4.04Å; L262-I318 HydrophobicContact CB-CD1 3.95Å; L262-I318 HydrophobicContact CD2-CD1 3.84Å; L262-I318 HydrophobicContact CG-CD1 4.32Å; I314-I318 HydrophobicContact CG2-CD1 3.86Å; I314-I318 HydrophobicContact CG2-CG1 4.43Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.35Å; I314-I318 PolarHBondContact O-N 3.12Å; C315-I318 PolarHBondContact O-N 2.96Å; I318-Q320 VanDerWaalsContact C-N 3.34Å; I318-Q320 PolarHBondContact O-N 3.42Å; I318-M321 PolarHBondContact O-N 3.37Å; I318-F326 HydrophobicContact CG2-CE1 3.85Å; I318-F326 HydrophobicContact CG2-CE2 4.13Å; I318-F326 HydrophobicContact CG2-CZ 3.41Å; I318-F326 VanDerWaalsContact CG2-CZ 3.41Å; I318-F326 WeakPolarHBondContact O-CE2 3.39Å; I318-V334 HydrophobicContact CG2-CG2 3.9Å |
| 319 | L | 61.8 | Low | 59.6 | Low | 104 Ų | 104 | 82.2 Ų | 82.2 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 178.2 | -71.3 | 170.5 | 0 | 0 | 0 | 112.4 | C315 E316 R317 M321 V334 L338 | C315-L319 VanDerWaalsContact O-CG 3.32Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.03Å; E316-L319 PolarHBondContact O-N 2.84Å; R317-L319 VanDerWaalsContact C-N 3.35Å; R317-L319 PolarHBondContact O-N 3.5Å; L319-M321 VanDerWaalsContact C-N 3.29Å; L319-M321 PolarHBondContact O-N 2.9Å; L319-V334 HydrophobicContact CD2-CG1 4.22Å; L319-V334 HydrophobicContact CG-CG1 4.22Å; L319-L338 HydrophobicContact CD1-CD1 4.25Å |
| 320 | Q | 67.6 | Low | 57.9 | Low | 149 Ų | 149 | 82 Ų | 82 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.7 | -26.6 | 174.2 | -73.4 | 174 | 18.4 | 0 | 0 | 112.9 | E316 R317 I318 S322 | E316-Q320 WeakPolarHBondContact O-CB 3.47Å; E316-Q320 VanDerWaalsContact O-CG 3.25Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.85Å; R317-Q320 PolarHBondContact O-N 2.92Å; I318-Q320 VanDerWaalsContact C-N 3.34Å; I318-Q320 PolarHBondContact O-N 3.42Å; Q320-S322 PolarHBondContact O-N 3.35Å |
| 321 | M | 58.7 | Low | 56.4 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 28 | -179.7 | -72 | -67.8 | -70.7 | 0 | 0 | 114.8 | F254 L258 R317 I318 L319 | F254-M321 HydrophobicContact CB-CE 3.68Å; F254-M321 HydrophobicContact CG-CE 4.28Å; L258-M321 HydrophobicContact CD1-CG 4.36Å; R317-M321 VanDerWaalsContact O-CG 3.3Å; R317-M321 WeakPolarHBondContact O-CG 3.48Å; R317-M321 PolarHBondContact O-N 2.89Å; R317-M321 VanDerWaalsContact O-N 3.15Å; I318-M321 PolarHBondContact O-N 3.37Å; L319-M321 VanDerWaalsContact C-N 3.29Å; L319-M321 PolarHBondContact O-N 2.9Å |
| 322 | S | 46.6 | Very low | 55.3 | Low | 55 Ų | 55 | 87.1 Ų | 87.1 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | trans | 70.5 | 129.9 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 114.7 | Q320 V324 S325 | Q320-S322 PolarHBondContact O-N 3.35Å; S322-V324 PolarHBondContact O-N 3.4Å; S322-V324 WeakPolarHBondContact OG-CG2 3.29Å; S322-V324 PolarHBondContact OG-N 2.93Å; S322-S325 PolarHBondContact O-OG 2.92Å | ||
| 323 | P | 45.5 | Very low | 54.5 | Low | 102 Ų | 102 | 84.9 Ų | 84.9 | 66% | 0.662 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -63.9 | -13.6 | 175.5 | 24.1 | -31.9 | 0 | 0 | 0 | 113.8 | S325 | P323-S325 VanDerWaalsContact C-N 3.34Å; P323-S325 PolarHBondContact O-N 3.19Å |
| 324 | V | 44.8 | Very low | 53.6 | Low | 107 Ų | 107 | 82.8 Ų | 82.8 | 65% | 0.648 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -72.9 | -24.1 | -174.1 | -174 | 0 | 0 | 0 | 0 | 112.8 | S322 | S322-V324 PolarHBondContact O-N 3.4Å; S322-V324 WeakPolarHBondContact OG-CG2 3.29Å; S322-V324 PolarHBondContact OG-N 2.93Å |
| 325 | S | 44.6 | Very low | 52.8 | Low | 66 Ų | 66 | 85.2 Ų | 85.2 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -81.3 | -16.1 | -175.5 | 55 | 0 | 0 | 0 | 0 | 113.7 | S322 P323 | S322-S325 PolarHBondContact O-OG 2.92Å; P323-S325 VanDerWaalsContact C-N 3.34Å; P323-S325 PolarHBondContact O-N 3.19Å |
| 326 | F | 42.6 | Very low | 52.5 | Low | 21 Ų | 21 | 89 Ų | 89 | 9% | 0.092 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -99.6 | -10.3 | -168.6 | -63.8 | -83.2 | 0 | 0 | 0 | 115 | V259 I318 K328 A329 K331 | V259-F326 HydrophobicContact CG2-CE1 4.13Å; I318-F326 HydrophobicContact CG2-CE1 3.85Å; I318-F326 HydrophobicContact CG2-CE2 4.13Å; I318-F326 HydrophobicContact CG2-CZ 3.41Å; I318-F326 VanDerWaalsContact CG2-CZ 3.41Å; I318-F326 WeakPolarHBondContact O-CE2 3.39Å; F326-K328 PolarHBondContact O-N 3.05Å; F326-A329 VanDerWaalsContact O-O 3.05Å; F326-K331 VanDerWaalsContact C-CE 3.41Å; F326-K331 HydrophobicContact CB-CD 3.59Å; F326-K331 HydrophobicContact CB-CG 4.01Å; F326-K331 HydrophobicContact CG-CD 4.46Å; F326-K331 WeakPolarHBondContact O-CE 3.49Å; F326-K331 WeakPolarHBondContact O-CG 3.45Å |
| 327 | E | 42 | Very low | 51.9 | Low | 176 Ų | 176 | 86.6 Ų | 86.6 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -63 | -21 | 176.1 | -89.7 | -173.5 | 163.9 | 0 | 0 | 113.3 | ||
| 328 | K | 44.6 | Very low | 51.6 | Low | 205 Ų | 205 | 82.3 Ų | 82.3 | 89% | 0.891 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -100.1 | -17.6 | -176.4 | -76.5 | -172.4 | 176.5 | -175.9 | 0 | 115.5 | F326 | F326-K328 PolarHBondContact O-N 3.05Š|
| 329 | A | 42.2 | Very low | 51.6 | Low | 61 Ų | 61 | 88.7 Ų | 88.7 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -91.3 | 112.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | F326 K331 | F326-A329 VanDerWaalsContact O-O 3.05Å; A329-K331 VanDerWaalsContact O-CA 3.3Å; A329-K331 WeakPolarHBondContact O-CA 3.46Å; A329-K331 VanDerWaalsContact O-CG 3.23Å; A329-K331 WeakPolarHBondContact O-CG 3.45Å; A329-K331 PolarHBondContact O-N 2.93Å |
| 330 | G | 43.2 | Very low | 51.8 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 87% | 0.866 | 50% | 0.497 | S | S | * | . | trans | -54.7 | 86.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 331 | K | 43.2 | Very low | 51.5 | Low | 87 Ų | 87 | 81.5 Ų | 81.5 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | trans | -63.3 | 135.4 | -153.8 | -58.1 | -170.8 | -152 | -163.8 | 0 | 110.3 | F326 A329 N333 | F326-K331 VanDerWaalsContact C-CE 3.41Å; F326-K331 HydrophobicContact CB-CD 3.59Å; F326-K331 HydrophobicContact CB-CG 4.01Å; F326-K331 HydrophobicContact CG-CD 4.46Å; F326-K331 WeakPolarHBondContact O-CE 3.49Å; F326-K331 WeakPolarHBondContact O-CG 3.45Å; A329-K331 VanDerWaalsContact O-CA 3.3Å; A329-K331 WeakPolarHBondContact O-CA 3.46Å; A329-K331 VanDerWaalsContact O-CG 3.23Å; A329-K331 WeakPolarHBondContact O-CG 3.45Å; A329-K331 PolarHBondContact O-N 2.93Å; K331-N333 VanDerWaalsContact C-N 3.32Å; K331-N333 PolarHBondContact O-N 3.41Å; K331-N333 VanDerWaalsContact O-N 3.11Å | ||
| 332 | P | 49.8 | Very low | 52 | Low | 92 Ų | 92 | 83.6 Ų | 83.6 | 60% | 0.597 | 47% | 0.471 | S | S | * | . | trans | -59.5 | 108.6 | 133.7 | 27.1 | -27.7 | 0 | 0 | 0 | 105.6 | V334 | P332-V334 PolarHBondContact O-N 2.76Š| ||
| 333 | N | 53.9 | Low | 53.2 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | trans | -55.7 | 116.3 | -176.9 | -135.8 | -6.2 | 0 | 0 | 0 | 106.4 | K331 S335 D336 V337 | K331-N333 VanDerWaalsContact C-N 3.32Å; K331-N333 PolarHBondContact O-N 3.41Å; K331-N333 VanDerWaalsContact O-N 3.11Å; N333-S335 CarbonylContact O-C 3.6Å; N333-S335 PolarHBondContact O-N 2.96Å; N333-D336 HydrophobicContact CB-CB 4.01Å; N333-D336 WeakPolarHBondContact CB-OD1 3.49Å; N333-D336 WeakPolarHBondContact CB-OD2 3.27Å; N333-D336 WeakPolarHBondContact O-CA 3.49Å; N333-D336 WeakPolarHBondContact O-CB 3.21Å; N333-D336 PolarHBondContact O-N 3.29Å; N333-V337 PolarHBondContact O-N 2.95Å | ||
| 334 | V | 54.7 | Low | 54 | Low | 16 Ų | 16 | 83.8 Ų | 83.8 | 10% | 0.097 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -54.7 | -28.7 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 110 | C315 I318 L319 P332 V337 L338 | C315-V334 HydrophobicContact CB-CG1 4.4Å; I318-V334 HydrophobicContact CG2-CG2 3.9Å; L319-V334 HydrophobicContact CD2-CG1 4.22Å; L319-V334 HydrophobicContact CG-CG1 4.22Å; P332-V334 PolarHBondContact O-N 2.76Å; V334-V337 PolarHBondContact O-N 3.39Å; V334-L338 HydrophobicContact CG1-CD1 4.13Å; V334-L338 WeakPolarHBondContact O-CB 3.41Å; V334-L338 PolarHBondContact O-N 3.48Å |
| 335 | S | 55.7 | Low | 54.7 | Low | 69 Ų | 69 | 82.3 Ų | 82.3 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57 | -43.6 | 167.9 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | N333 L338 E339 | N333-S335 CarbonylContact O-C 3.6Å; N333-S335 PolarHBondContact O-N 2.96Å; S335-L338 PolarHBondContact O-N 3.34Å; S335-E339 WeakPolarHBondContact O-CB 3.47Å; S335-E339 PolarHBondContact O-N 2.96Å |
| 336 | D | 60.1 | Low | 55.8 | Low | 81 Ų | 81 | 84.7 Ų | 84.7 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | -179.4 | -60.4 | -7.3 | 0 | 0 | 0 | 110.4 | N333 E339 Q340 | N333-D336 HydrophobicContact CB-CB 4.01Å; N333-D336 WeakPolarHBondContact CB-OD1 3.49Å; N333-D336 WeakPolarHBondContact CB-OD2 3.27Å; N333-D336 WeakPolarHBondContact O-CA 3.49Å; N333-D336 WeakPolarHBondContact O-CB 3.21Å; N333-D336 PolarHBondContact O-N 3.29Å; D336-E339 PolarHBondContact O-N 3.27Å; D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 WeakPolarHBondContact O-CG 3.38Å; D336-Q340 PolarHBondContact O-N 3.48Å |
| 337 | V | 58.9 | Low | 57 | Low | 24 Ų | 24 | 87.9 Ų | 87.9 | 15% | 0.145 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | L262 N333 V334 Q340 M341 | L262-V337 HydrophobicContact CD2-CG1 4.47Å; N333-V337 PolarHBondContact O-N 2.95Å; V334-V337 PolarHBondContact O-N 3.39Å; V337-Q340 PolarHBondContact O-N 3.2Å; V337-M341 HydrophobicContact CG1-SD 4.34Å; V337-M341 WeakPolarHBondContact O-CB 3.24Å; V337-M341 VanDerWaalsContact O-CG 3.31Å; V337-M341 WeakPolarHBondContact O-CG 3.35Å; V337-M341 PolarHBondContact O-N 3Å |
| 338 | L | 59.3 | Low | 57.7 | Low | 68 Ų | 68 | 79.6 Ų | 79.6 | 36% | 0.356 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.4 | -96 | 149.2 | 0 | 0 | 0 | 112.8 | C315 L319 V334 S335 M341 K342 | C315-L338 HydrophobicContact CB-CD1 4.36Å; L319-L338 HydrophobicContact CD1-CD1 4.25Å; V334-L338 HydrophobicContact CG1-CD1 4.13Å; V334-L338 WeakPolarHBondContact O-CB 3.41Å; V334-L338 PolarHBondContact O-N 3.48Å; S335-L338 PolarHBondContact O-N 3.34Å; L338-M341 PolarHBondContact O-N 3.45Å; L338-K342 WeakPolarHBondContact O-CB 3.43Å; L338-K342 PolarHBondContact O-N 2.79Å |
| 339 | E | 64.8 | Low | 58.4 | Low | 136 Ų | 136 | 74.1 Ų | 74.1 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 174.4 | -86.3 | -147.1 | 148 | 0 | 0 | 112.1 | S335 D336 M341 K342 K343 | S335-E339 WeakPolarHBondContact O-CB 3.47Å; S335-E339 PolarHBondContact O-N 2.96Å; D336-E339 PolarHBondContact O-N 3.27Å; E339-M341 VanDerWaalsContact C-N 3.33Å; E339-M341 PolarHBondContact O-N 3.25Å; E339-K342 PolarHBondContact O-N 3.23Å; E339-K343 WeakPolarHBondContact O-CB 3.42Å; E339-K343 PolarHBondContact O-N 2.9Å |
| 340 | Q | 64.2 | Low | 59 | Low | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.6 | -77.6 | -171.4 | 4.4 | 0 | 0 | 111.1 | Y266 D336 V337 K343 T344 | Y266-Q340 PolarHBondContact OH-OE1 2.91Å; Y266-Q340 VanDerWaalsContact OH-OE1 3.07Å; D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 WeakPolarHBondContact O-CG 3.38Å; D336-Q340 PolarHBondContact O-N 3.48Å; V337-Q340 PolarHBondContact O-N 3.2Å; Q340-K343 WeakPolarHBondContact O-CB 3.45Å; Q340-K343 PolarHBondContact O-N 3.49Å; Q340-T344 PolarHBondContact O-N 3.32Å; Q340-T344 PolarHBondContact O-OG1 3.29Å |
| 341 | M | 62 | Low | 59.6 | Low | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 174 | -79.7 | -178.6 | 68.6 | 0 | 0 | 111.4 | H308 L311 V337 L338 E339 K343 T344 E345 | H308-M341 WeakPolarHBondContact CD2-CE 3.43Å; H308-M341 WeakPolarHBondContact NE2-CE 3.47Å; H308-M341 WeakPolarHBondContact O-CE 3.46Å; L311-M341 HydrophobicContact CB-CE 3.48Å; L311-M341 VanDerWaalsContact CB-CE 3.48Å; L311-M341 HydrophobicContact CB-SD 3.87Å; L311-M341 HydrophobicContact CD1-CE 4.34Å; L311-M341 HydrophobicContact CD1-SD 4.47Å; V337-M341 HydrophobicContact CG1-SD 4.34Å; V337-M341 WeakPolarHBondContact O-CB 3.24Å; V337-M341 VanDerWaalsContact O-CG 3.31Å; V337-M341 WeakPolarHBondContact O-CG 3.35Å; V337-M341 PolarHBondContact O-N 3Å; L338-M341 PolarHBondContact O-N 3.45Å; E339-M341 VanDerWaalsContact C-N 3.33Å; E339-M341 PolarHBondContact O-N 3.25Å; M341-K343 VanDerWaalsContact C-N 3.29Å; M341-K343 PolarHBondContact O-N 3.07Å; M341-T344 WeakPolarHBondContact O-CB 3.35Å; M341-T344 PolarHBondContact O-N 2.94Å; M341-E345 PolarHBondContact O-N 2.97Å |
| 342 | K | 68.4 | Low | 59.8 | Low | 130 Ų | 130 | 72.6 Ų | 72.6 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 176.9 | -171.8 | 178.7 | -179.9 | -177.5 | 0 | 112.4 | L338 E339 E345 Q346 | L338-K342 WeakPolarHBondContact O-CB 3.43Å; L338-K342 PolarHBondContact O-N 2.79Å; E339-K342 PolarHBondContact O-N 3.23Å; K342-E345 PolarHBondContact O-N 3.24Å; K342-Q346 WeakPolarHBondContact O-CB 3.42Å; K342-Q346 VanDerWaalsContact O-CG 3.3Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å |
| 343 | K | 73.1 | Confident | 59.6 | Low | 131 Ų | 131 | 72 Ų | 72 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 174.9 | -174.9 | 179.7 | 179.3 | -179.2 | 0 | 111.6 | E339 Q340 M341 Q346 Q347 | E339-K343 WeakPolarHBondContact O-CB 3.42Å; E339-K343 PolarHBondContact O-N 2.9Å; Q340-K343 WeakPolarHBondContact O-CB 3.45Å; Q340-K343 PolarHBondContact O-N 3.49Å; M341-K343 VanDerWaalsContact C-N 3.29Å; M341-K343 PolarHBondContact O-N 3.07Å; K343-Q346 PolarHBondContact O-N 2.96Å; K343-Q347 WeakPolarHBondContact O-CG 3.37Å; K343-Q347 PolarHBondContact O-N 2.74Å |
| 344 | T | 60.9 | Low | 59.1 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 178 | -42.8 | 0 | 0 | 0 | 0 | 110.7 | F273 Q340 M341 Q347 M348 | F273-T344 HydrophobicContact CD2-CG2 4.42Å; F273-T344 HydrophobicContact CE1-CG2 4.32Å; F273-T344 HydrophobicContact CE2-CG2 4.22Å; F273-T344 HydrophobicContact CZ-CG2 4.16Å; Q340-T344 PolarHBondContact O-N 3.32Å; Q340-T344 PolarHBondContact O-OG1 3.29Å; M341-T344 WeakPolarHBondContact O-CB 3.35Å; M341-T344 PolarHBondContact O-N 2.94Å; T344-Q347 PolarHBondContact O-N 3.11Å; T344-M348 PolarHBondContact O-N 2.91Å |
| 345 | E | 61.1 | Low | 58.3 | Low | 76 Ų | 76 | 75.7 Ų | 75.7 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 173.7 | -169.7 | -175.7 | 173.3 | 0 | 0 | 111.8 | H308 M341 K342 Q347 M348 N349 | H308-E345 IonicContact CE1-OE2 3.47Å; H308-E345 PolarHBondContact CE1-OE2 3.22Å; M341-E345 PolarHBondContact O-N 2.97Å; K342-E345 PolarHBondContact O-N 3.24Å; E345-Q347 PolarHBondContact O-N 2.9Å; E345-M348 WeakPolarHBondContact O-CB 3.4Å; E345-M348 PolarHBondContact O-N 3.49Å; E345-N349 PolarHBondContact O-N 3.43Å; E345-N349 PolarHBondContact O-ND2 2.96Å |
| 346 | Q | 67.9 | Low | 57.4 | Low | 117 Ų | 117 | 76.2 Ų | 76.2 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.4 | -75.8 | 178.2 | -1.1 | 0 | 0 | 112.4 | K342 K343 M348 N349 A350 | K342-Q346 WeakPolarHBondContact O-CB 3.42Å; K342-Q346 VanDerWaalsContact O-CG 3.3Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å; K343-Q346 PolarHBondContact O-N 2.96Å; Q346-M348 VanDerWaalsContact C-N 3.33Å; Q346-N349 PolarHBondContact O-N 3.26Å; Q346-A350 VanDerWaalsContact O-CB 3.3Å; Q346-A350 WeakPolarHBondContact O-CB 3.47Å; Q346-A350 PolarHBondContact O-N 3.38Å |
| 347 | Q | 66.1 | Low | 56.3 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.3 | -78.4 | -175 | -5.5 | 0 | 0 | 112.3 | K343 T344 E345 A350 R351 | K343-Q347 WeakPolarHBondContact O-CG 3.37Å; K343-Q347 PolarHBondContact O-N 2.74Å; T344-Q347 PolarHBondContact O-N 3.11Å; E345-Q347 PolarHBondContact O-N 2.9Å; Q347-A350 PolarHBondContact O-N 3.31Å; Q347-R351 WeakPolarHBondContact O-CG 3.3Å; Q347-R351 PolarHBondContact O-N 3.37Å |
| 348 | M | 58.4 | Low | 55 | Low | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63 | -49.5 | 175.7 | -163.4 | -164.3 | -37.3 | 0 | 0 | 110.8 | W276 Q301 I304 L305 T344 E345 Q346 A350 R351 V352 | W276-M348 HydrophobicContact CH2-CG 3.88Å; W276-M348 HydrophobicContact CZ2-CG 4.37Å; W276-M348 HydrophobicContact CZ3-CG 4.26Å; Q301-M348 HydrophobicContact CG-SD 4.49Å; I304-M348 HydrophobicContact CB-CE 4.33Å; I304-M348 HydrophobicContact CG2-CE 3.32Å; I304-M348 HydrophobicContact CG2-SD 4.22Å; L305-M348 HydrophobicContact CD2-CE 4.46Å; L305-M348 HydrophobicContact CD2-SD 4.34Å; T344-M348 PolarHBondContact O-N 2.91Å; E345-M348 WeakPolarHBondContact O-CB 3.4Å; E345-M348 PolarHBondContact O-N 3.49Å; Q346-M348 VanDerWaalsContact C-N 3.33Å; M348-A350 VanDerWaalsContact C-N 3.32Å; M348-A350 PolarHBondContact O-N 3.45Å; M348-R351 PolarHBondContact O-N 3Å; M348-V352 WeakPolarHBondContact O-CG2 3.26Å; M348-V352 PolarHBondContact O-N 2.91Å |
| 349 | N | 58.9 | Low | 53.8 | Low | 89 Ų | 89 | 81 Ų | 81 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 177.8 | -72.6 | -30.4 | 0 | 0 | 0 | 112.1 | E345 Q346 V352 T353 | E345-N349 PolarHBondContact O-N 3.43Å; E345-N349 PolarHBondContact O-ND2 2.96Å; Q346-N349 PolarHBondContact O-N 3.26Å; N349-V352 PolarHBondContact O-N 3.41Å; N349-T353 WeakPolarHBondContact O-CG2 3.48Å; N349-T353 PolarHBondContact O-N 3.4Å; N349-T353 VanDerWaalsContact O-N 3.13Å; N349-T353 PolarHBondContact O-OG1 2.96Å |
| 350 | A | 54.6 | Low | 52.1 | Low | 48 Ų | 48 | 80.5 Ų | 80.5 | 40% | 0.397 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q346 Q347 M348 T353 T354 | Q346-A350 VanDerWaalsContact O-CB 3.3Å; Q346-A350 WeakPolarHBondContact O-CB 3.47Å; Q346-A350 PolarHBondContact O-N 3.38Å; Q347-A350 PolarHBondContact O-N 3.31Å; M348-A350 VanDerWaalsContact C-N 3.32Å; M348-A350 PolarHBondContact O-N 3.45Å; A350-T353 WeakPolarHBondContact CA-OG1 3.45Å; A350-T353 PolarHBondContact O-N 3.03Å; A350-T353 VanDerWaalsContact O-N 3.15Å; A350-T353 PolarHBondContact O-OG1 2.89Å; A350-T354 PolarHBondContact O-N 2.89Å; A350-T354 PolarHBondContact O-OG1 2.97Å |
| 351 | R | 54.7 | Low | 50.8 | Low | 96 Ų | 96 | 79.5 Ų | 79.5 | 36% | 0.362 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 178.5 | -74 | -171.9 | -179.9 | -167.8 | 5 | 113.1 | W276 Q347 M348 T353 T354 E355 | W276-R351 HydrophobicContact CH2-CB 4.44Å; Q347-R351 WeakPolarHBondContact O-CG 3.3Å; Q347-R351 PolarHBondContact O-N 3.37Å; M348-R351 PolarHBondContact O-N 3Å; R351-T353 PolarHBondContact O-N 3.45Å; R351-T354 WeakPolarHBondContact CA-OG1 3.47Å; R351-T354 PolarHBondContact O-N 2.92Å; R351-T354 PolarHBondContact O-OG1 3.28Å; R351-T354 VanDerWaalsContact O-OG1 3.05Å; R351-E355 PolarHBondContact O-N 3.32Å |
| 352 | V | 49 | Very low | 49.4 | Very low | 56 Ų | 56 | 83.7 Ų | 83.7 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 172.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | M348 N349 T356 | M348-V352 WeakPolarHBondContact O-CG2 3.26Å; M348-V352 PolarHBondContact O-N 2.91Å; N349-V352 PolarHBondContact O-N 3.41Å; V352-T356 WeakPolarHBondContact O-CG2 3.34Å; V352-T356 PolarHBondContact O-N 3.06Å; V352-T356 PolarHBondContact O-OG1 3.24Å |
| 353 | T | 44.3 | Very low | 47.5 | Very low | 81 Ų | 81 | 82.3 Ų | 82.3 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.3 | -35.8 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | N349 A350 R351 T356 V357 | N349-T353 WeakPolarHBondContact O-CG2 3.48Å; N349-T353 PolarHBondContact O-N 3.4Å; N349-T353 VanDerWaalsContact O-N 3.13Å; N349-T353 PolarHBondContact O-OG1 2.96Å; A350-T353 WeakPolarHBondContact CA-OG1 3.45Å; A350-T353 PolarHBondContact O-N 3.03Å; A350-T353 VanDerWaalsContact O-N 3.15Å; A350-T353 PolarHBondContact O-OG1 2.89Å; R351-T353 PolarHBondContact O-N 3.45Å; T353-T356 WeakPolarHBondContact CA-OG1 3.47Å; T353-T356 PolarHBondContact O-OG1 2.87Å; T353-T356 VanDerWaalsContact O-OG1 3.09Å; T353-V357 VanDerWaalsContact O-CG2 3.29Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.07Å |
| 354 | T | 43.6 | Very low | 45.6 | Very low | 78 Ų | 78 | 84.6 Ų | 84.6 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 179.9 | 49.2 | 0 | 0 | 0 | 0 | 112 | A350 R351 V357 D358 | A350-T354 PolarHBondContact O-N 2.89Å; A350-T354 PolarHBondContact O-OG1 2.97Å; R351-T354 WeakPolarHBondContact CA-OG1 3.47Å; R351-T354 PolarHBondContact O-N 2.92Å; R351-T354 PolarHBondContact O-OG1 3.28Å; R351-T354 VanDerWaalsContact O-OG1 3.05Å; T354-V357 PolarHBondContact O-N 3.12Å; T354-D358 PolarHBondContact O-N 2.83Å |
| 355 | E | 39.1 | Very low | 44.2 | Very low | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.8 | -32 | 179.2 | -77.5 | -178.6 | -175.9 | 0 | 0 | 113.1 | R351 V357 D358 V359 | R351-E355 PolarHBondContact O-N 3.32Å; E355-V357 PolarHBondContact O-N 3.17Å; E355-D358 PolarHBondContact O-N 3.04Å; E355-V359 WeakPolarHBondContact O-CB 3.36Å; E355-V359 VanDerWaalsContact O-CG2 3.27Å; E355-V359 WeakPolarHBondContact O-CG2 3.36Å; E355-V359 PolarHBondContact O-N 2.89Å |
| 356 | T | 35.8 | Very low | 42.7 | Very low | 80 Ų | 80 | 92.2 Ų | 92.2 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -28.4 | 171.6 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | V352 T353 L360 | V352-T356 WeakPolarHBondContact O-CG2 3.34Å; V352-T356 PolarHBondContact O-N 3.06Å; V352-T356 PolarHBondContact O-OG1 3.24Å; T353-T356 WeakPolarHBondContact CA-OG1 3.47Å; T353-T356 PolarHBondContact O-OG1 2.87Å; T353-T356 VanDerWaalsContact O-OG1 3.09Å; T356-L360 WeakPolarHBondContact O-CD1 3.48Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å |
| 357 | V | 37.1 | Very low | 40.6 | Very low | 83 Ų | 83 | 95.1 Ų | 95.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.2 | -43.5 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | T353 T354 E355 V359 L360 T361 | T353-V357 VanDerWaalsContact O-CG2 3.29Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.07Å; T354-V357 PolarHBondContact O-N 3.12Å; E355-V357 PolarHBondContact O-N 3.17Å; V357-V359 PolarHBondContact O-N 3.02Å; V357-L360 PolarHBondContact O-N 2.83Å; V357-L360 VanDerWaalsContact O-N 3.1Å; V357-T361 HydrophobicContact CG1-CG2 4.22Å; V357-T361 PolarHBondContact O-N 3.4Å; V357-T361 PolarHBondContact O-OG1 2.78Å |
| 358 | D | 31.7 | Very low | 38.6 | Very low | 101 Ų | 101 | 99.3 Ų | 99.3 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | -179.4 | -84.1 | -19.2 | 0 | 0 | 0 | 113.7 | T354 E355 L360 T361 T362 | T354-D358 PolarHBondContact O-N 2.83Å; E355-D358 PolarHBondContact O-N 3.04Å; D358-L360 VanDerWaalsContact C-N 3.27Å; D358-L360 PolarHBondContact O-N 2.98Å; D358-T361 WeakPolarHBondContact CA-OG1 3.31Å; D358-T361 PolarHBondContact O-OG1 2.83Å; D358-T362 WeakPolarHBondContact O-CB 3.49Å; D358-T362 WeakPolarHBondContact O-CG2 3.32Å; D358-T362 PolarHBondContact O-N 2.9Å; D358-T362 VanDerWaalsContact O-N 3.11Å; D358-T362 PolarHBondContact O-OG1 3.46Å |
| 359 | V | 34.3 | Very low | 37.1 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.2 | -27.6 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | E355 V357 T362 N363 | E355-V359 WeakPolarHBondContact O-CB 3.36Å; E355-V359 VanDerWaalsContact O-CG2 3.27Å; E355-V359 WeakPolarHBondContact O-CG2 3.36Å; E355-V359 PolarHBondContact O-N 2.89Å; V357-V359 PolarHBondContact O-N 3.02Å; V359-T362 PolarHBondContact O-OG1 2.98Å; V359-N363 PolarHBondContact O-ND2 3.12Å |
| 360 | L | 29.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 105.5 Ų | 105.5 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -84.9 | -32.2 | 177.2 | -78.6 | 170.5 | 0 | 0 | 0 | 113.2 | T356 V357 D358 K364 | T356-L360 WeakPolarHBondContact O-CD1 3.48Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å; V357-L360 PolarHBondContact O-N 2.83Å; V357-L360 VanDerWaalsContact O-N 3.1Å; D358-L360 VanDerWaalsContact C-N 3.27Å; D358-L360 PolarHBondContact O-N 2.98Å; L360-K364 PolarHBondContact O-N 3.04Å |
| 361 | T | 36.1 | Very low | 34.1 | Very low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.472 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75 | -40.3 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | V357 D358 N363 K364 | V357-T361 HydrophobicContact CG1-CG2 4.22Å; V357-T361 PolarHBondContact O-N 3.4Å; V357-T361 PolarHBondContact O-OG1 2.78Å; D358-T361 WeakPolarHBondContact CA-OG1 3.31Å; D358-T361 PolarHBondContact O-OG1 2.83Å; T361-N363 PolarHBondContact O-N 3.09Å; T361-K364 PolarHBondContact O-N 3.27Å |
| 362 | T | 32.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -36.8 | 176.9 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | D358 V359 K364 | D358-T362 WeakPolarHBondContact O-CB 3.49Å; D358-T362 WeakPolarHBondContact O-CG2 3.32Å; D358-T362 PolarHBondContact O-N 2.9Å; D358-T362 VanDerWaalsContact O-N 3.11Å; D358-T362 PolarHBondContact O-OG1 3.46Å; V359-T362 PolarHBondContact O-OG1 2.98Å; T362-K364 VanDerWaalsContact C-N 3.32Å; T362-K364 PolarHBondContact O-N 2.91Å |
| 363 | N | 30.4 | Very low | 31.4 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.3 | -13.8 | 176.5 | -81.3 | -61 | 0 | 0 | 0 | 114.7 | V359 T361 | V359-N363 PolarHBondContact O-ND2 3.12Å; T361-N363 PolarHBondContact O-N 3.09Å |
| 364 | K | 32.6 | Very low | 30.4 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 78% | 0.778 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.5 | -17.8 | 177.6 | -125.5 | 178.4 | -179.1 | -177.4 | 0 | 113.5 | L360 T361 T362 | L360-K364 PolarHBondContact O-N 3.04Å; T361-K364 PolarHBondContact O-N 3.27Å; T362-K364 VanDerWaalsContact C-N 3.32Å; T362-K364 PolarHBondContact O-N 2.91Å |
| 365 | S | 30.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -12.1 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 366 | M | 30.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -4.9 | -174.5 | -124.6 | -177.3 | -89.7 | 0 | 0 | 114.4 | ||
| 367 | F | 24.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 78% | 0.781 | 69% | 0.691 | S | S | * | * | trans | -125.2 | 57.4 | 179.3 | -67.2 | -81.2 | 0 | 0 | 0 | 111.2 | P369 | F367-P369 VanDerWaalsContact O-CD 3.29Å; F367-P369 WeakPolarHBondContact O-CD 3.4Å | ||
| 368 | E | 23.6 | Very low | 27.8 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | -84.1 | 109.9 | 149.2 | -91.6 | -140.9 | 148.9 | 0 | 0 | 107.7 | V370 | E368-V370 PolarHBondContact O-N 3.02Š| ||
| 369 | P | 26.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | trans | -67.9 | 103.4 | 171.5 | 28.1 | -29.7 | 0 | 0 | 0 | 107.1 | F367 V371 | F367-P369 VanDerWaalsContact O-CD 3.29Å; F367-P369 WeakPolarHBondContact O-CD 3.4Å; P369-V371 VanDerWaalsContact C-N 3.27Å; P369-V371 PolarHBondContact O-N 2.65Å | ||
| 370 | V | 27.7 | Very low | 27 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -63.6 | 97.2 | 165.5 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | E368 R372 | E368-V370 PolarHBondContact O-N 3.02Å; V370-R372 HydrophobicContact CG1-CG 4.09Å; V370-R372 PolarHBondContact O-N 3.36Å | ||
| 371 | V | 24.1 | Very low | 26.9 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | -67 | 83.3 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | P369 T373 | P369-V371 VanDerWaalsContact C-N 3.27Å; P369-V371 PolarHBondContact O-N 2.65Å; V371-T373 HydrophobicContact CG1-CG2 4.26Å; V371-T373 PolarHBondContact O-N 3.34Å | ||
| 372 | R | 23.5 | Very low | 26.4 | Very low | 211 Ų | 211 | 136.2 Ų | 136.2 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -84.6 | 90.2 | 161.9 | -84.7 | 179.6 | -179.6 | 158.7 | 0.3 | 107.6 | V370 D374 | V370-R372 HydrophobicContact CG1-CG 4.09Å; V370-R372 PolarHBondContact O-N 3.36Å; R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 3.28Å | ||
| 373 | T | 22.6 | Very low | 26 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 88.2 | 157.4 | 31.8 | 0 | 0 | 0 | 0 | 108.5 | V371 | V371-T373 HydrophobicContact CG1-CG2 4.26Å; V371-T373 PolarHBondContact O-N 3.34Å | ||
| 374 | D | 24.4 | Very low | 25.7 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -125.2 | 115.5 | 160.3 | -80 | -42.3 | 0 | 0 | 0 | 108.8 | R372 L376 | R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 3.28Å; D374-L376 PolarHBondContact O-N 3.09Å | ||
| 375 | L | 24.1 | Very low | 25.6 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -43.5 | 119.6 | 171.5 | -82.2 | 71.6 | 0 | 0 | 0 | 111.4 | I377 | L375-I377 HydrophobicContact CD2-CD1 4.5Š| ||
| 376 | L | 27.2 | Very low | 25.4 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 96.6 | 147.4 | -77.8 | 175.3 | 0 | 0 | 0 | 109 | D374 | D374-L376 PolarHBondContact O-N 3.09Š| ||
| 377 | I | 23.4 | Very low | 25.3 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 114.2 | 165.8 | -62.7 | 166.2 | 0 | 0 | 0 | 107 | L375 | L375-I377 HydrophobicContact CD2-CD1 4.5Š| ||
| 378 | S | 26.4 | Very low | 25.7 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 178.9 | 102.2 | 147.1 | -85.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 379 | S | 23.3 | Very low | 26 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 55.9 | 90.2 | 85.5 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 380 | E | 25.9 | Very low | 26.2 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | -168.6 | 125.6 | 124.7 | -107.1 | 171.9 | 179 | 0 | 0 | 111 | G382 | E380-G382 PolarHBondContact O-N 2.72Å; E380-G382 VanDerWaalsContact O-N 3.17Å | |||
| 381 | A | 25.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 93.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 382 | G | 25.9 | Very low | 27 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -94 | 94.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E380 | E380-G382 PolarHBondContact O-N 2.72Å; E380-G382 VanDerWaalsContact O-N 3.17Å | ||
| 383 | Q | 23.6 | Very low | 27.7 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -79.6 | 131.4 | -177.4 | -158.9 | 170.5 | 9.9 | 0 | 0 | 111.1 | ||||
| 384 | A | 25.9 | Very low | 28.2 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | 62 | 111.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 385 | V | 30.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | -150.2 | 117.6 | 124 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 386 | G | 24.6 | Very low | 29.3 | Very low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 138.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 387 | N | 29.5 | Very low | 29.5 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -179.1 | 76.4 | 154.7 | -89 | -17.6 | 0 | 0 | 0 | 108 | ||||
| 388 | T | 32.3 | Very low | 30 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -126.9 | 106.4 | 162.3 | 43 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 389 | E | 29.7 | Very low | 30.6 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -48.9 | 138.8 | 173.6 | -74.6 | 176.6 | 120.6 | 0 | 0 | 111.6 | K391 | E389-K391 VanDerWaalsContact C-N 3.3Å; E389-K391 PolarHBondContact O-N 3.01Å | ||
| 390 | K | 30.8 | Very low | 31.2 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | -65.9 | 81.1 | 173 | -63.9 | 175.1 | 178.2 | 176.6 | 0 | 110.7 | ||||
| 391 | K | 33.7 | Very low | 31.9 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -122.7 | 104.1 | 160 | -79 | -179.4 | 177.3 | 169.7 | 0 | 106.5 | E389 | E389-K391 VanDerWaalsContact C-N 3.3Å; E389-K391 PolarHBondContact O-N 3.01Å | ||
| 392 | N | 34.3 | Very low | 32.4 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 168.4 | 16.8 | 149.1 | -82.3 | -15.5 | 0 | 0 | 0 | 116.2 | Y394 | N392-Y394 VanDerWaalsContact C-N 3.31Å; N392-Y394 PolarHBondContact O-N 3.28Å | ||
| 393 | D | 38.1 | Very low | 33 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74.3 | -14.3 | 178.4 | -80.9 | -24.2 | 0 | 0 | 0 | 115.1 | ||
| 394 | Y | 32.8 | Very low | 33.9 | Very low | 219 Ų | 219 | 140.3 Ų | 140.3 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -75.5 | -30.2 | -178.3 | -96.8 | -87.4 | 0 | 0 | 0 | 114.4 | N392 | N392-Y394 VanDerWaalsContact C-N 3.31Å; N392-Y394 PolarHBondContact O-N 3.28Å |
| 395 | V | 35.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 60% | 0.6 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -81.9 | -30.2 | -177.4 | -176 | 0 | 0 | 0 | 0 | 111.6 | G397 | V395-G397 VanDerWaalsContact C-N 3.32Å; V395-G397 PolarHBondContact O-N 3.39Å |
| 396 | A | 37.5 | Very low | 35.2 | Very low | 53 Ų | 53 | 140.3 Ų | 140.3 | 44% | 0.438 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -69.6 | -28.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 397 | G | 31.9 | Very low | 36.1 | Very low | 43 Ų | 43 | 144 Ų | 144 | 44% | 0.443 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -64.6 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | V395 T401 | V395-G397 VanDerWaalsContact C-N 3.32Å; V395-G397 PolarHBondContact O-N 3.39Å; G397-T401 PolarHBondContact O-OG1 3.05Å; G397-T401 VanDerWaalsContact O-OG1 3.05Å |
| 398 | F | 33.8 | Very low | 37 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 69% | 0.693 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.6 | -31.9 | -174.6 | -113.3 | -88.3 | 0 | 0 | 0 | 113.9 | ||
| 399 | Q | 37.7 | Very low | 37.3 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.2 | -25.5 | 178.6 | -70.3 | -161.9 | 2.4 | 0 | 0 | 113.2 | ||
| 400 | R | 36.1 | Very low | 38 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 76% | 0.758 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.7 | -31.4 | 176.6 | -74.7 | -174.3 | -176 | -176.6 | 3 | 112.7 | ||
| 401 | T | 41.6 | Very low | 38.8 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.5 | -32.8 | -175.1 | -23.7 | 0 | 0 | 0 | 0 | 113.3 | G397 T404 | G397-T401 PolarHBondContact O-OG1 3.05Å; G397-T401 VanDerWaalsContact O-OG1 3.05Å; T401-T404 PolarHBondContact O-OG1 3.4Å |
| 402 | R | 35.9 | Very low | 39.5 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80.5 | -26.6 | -179.8 | -69.2 | -170.3 | 177.3 | -170.5 | -0.1 | 114 | S405 | R402-S405 PolarHBondContact O-OG 3.04Å |
| 403 | R | 38 | Very low | 40.1 | Very low | 216 Ų | 216 | 134.8 Ų | 134.8 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.3 | -29.2 | -179.7 | -103.5 | -176.7 | 171.8 | 178.4 | -1 | 113.3 | K407 | R403-K407 PolarHBondContact O-N 3.37Å |
| 404 | T | 42.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 56% | 0.564 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.3 | -33.3 | -179 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | T401 K408 | T401-T404 PolarHBondContact O-OG1 3.4Å; T404-K408 PolarHBondContact O-N 3.3Å; T404-K408 VanDerWaalsContact O-N 3.1Å |
| 405 | S | 45.2 | Very low | 41 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.2 | -41.5 | 178.5 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | R402 K408 Y409 | R402-S405 PolarHBondContact O-OG 3.04Å; S405-K408 PolarHBondContact O-N 2.5Å; S405-Y409 PolarHBondContact O-N 3.06Å |
| 406 | Y | 38.8 | Very low | 41.2 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.2 | -35.8 | 179.4 | -156.9 | -98.7 | 0 | 0 | 0 | 112.6 | Y409 R410 | Y406-Y409 PolarHBondContact O-N 3.37Å; Y406-R410 HydrophobicContact CE1-CG 4.32Å; Y406-R410 PolarHBondContact O-N 3.49Å |
| 407 | K | 42.1 | Very low | 41.3 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 61% | 0.609 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.4 | -43.6 | 174.4 | -164.7 | -178.5 | 178.2 | -171.5 | 0 | 111.4 | R403 Y409 R410 E411 | R403-K407 PolarHBondContact O-N 3.37Å; K407-Y409 VanDerWaalsContact C-N 3.34Å; K407-Y409 PolarHBondContact O-N 3.15Å; K407-R410 PolarHBondContact O-N 3.31Å; K407-E411 WeakPolarHBondContact CE-OE1 3.45Å; K407-E411 WeakPolarHBondContact O-CG 3.41Å; K407-E411 PolarHBondContact O-N 3.47Å |
| 408 | K | 48.1 | Very low | 41.5 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.7 | -39.4 | 173.6 | -90.4 | -172.9 | 174.1 | -176.2 | 0 | 112.8 | T404 S405 E411 F412 | T404-K408 PolarHBondContact O-N 3.3Å; T404-K408 VanDerWaalsContact O-N 3.1Å; S405-K408 PolarHBondContact O-N 2.5Å; K408-E411 PolarHBondContact O-N 3.46Å; K408-F412 WeakPolarHBondContact O-CB 3.46Å; K408-F412 PolarHBondContact O-N 3.3Å |
| 409 | Y | 39.3 | Very low | 41.6 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 53% | 0.525 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.2 | -41.1 | 177.2 | -174.6 | -104.9 | 0 | 0 | 0 | 111.8 | S405 Y406 K407 F412 L413 | S405-Y409 PolarHBondContact O-N 3.06Å; Y406-Y409 PolarHBondContact O-N 3.37Å; K407-Y409 VanDerWaalsContact C-N 3.34Å; K407-Y409 PolarHBondContact O-N 3.15Å; Y409-F412 PolarHBondContact O-N 2.68Å; Y409-L413 HydrophobicContact CD1-CD1 3.83Å; Y409-L413 HydrophobicContact CD1-CG 4.36Å; Y409-L413 HydrophobicContact CE1-CD1 3.29Å; Y409-L413 HydrophobicContact CE1-CG 4.01Å; Y409-L413 WeakPolarHBondContact O-CG 3.01Å; Y409-L413 PolarHBondContact O-N 3.13Å |
| 410 | R | 44.3 | Very low | 41.4 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.4 | -40.1 | 172.2 | -94.4 | -97.3 | -173 | 152.7 | -0.8 | 112.8 | Y406 K407 G414 | Y406-R410 HydrophobicContact CE1-CG 4.32Å; Y406-R410 PolarHBondContact O-N 3.49Å; K407-R410 PolarHBondContact O-N 3.31Å; R410-G414 PolarHBondContact O-N 2.79Å |
| 411 | E | 48.4 | Very low | 41.5 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 44% | 0.444 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.6 | -38.2 | 173.8 | -76 | 169.6 | -171.6 | 0 | 0 | 111.3 | K407 K408 G414 N415 | K407-E411 WeakPolarHBondContact CE-OE1 3.45Å; K407-E411 WeakPolarHBondContact O-CG 3.41Å; K407-E411 PolarHBondContact O-N 3.47Å; K408-E411 PolarHBondContact O-N 3.46Å; E411-G414 PolarHBondContact O-N 2.95Å; E411-N415 VanDerWaalsContact O-CB 3.32Å; E411-N415 WeakPolarHBondContact O-CB 3.41Å; E411-N415 PolarHBondContact O-N 3.1Å; E411-N415 PolarHBondContact O-ND2 3.17Å |
| 412 | F | 47.7 | Very low | 41.1 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 175.3 | -167.3 | -93.4 | 0 | 0 | 0 | 111.9 | K408 Y409 | K408-F412 WeakPolarHBondContact O-CB 3.46Å; K408-F412 PolarHBondContact O-N 3.3Å; Y409-F412 PolarHBondContact O-N 2.68Å |
| 413 | L | 47.2 | Very low | 40.7 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 45% | 0.445 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.9 | -34.8 | 174.9 | -70.4 | -179.4 | 0 | 0 | 0 | 112.8 | Y409 N415 H416 | Y409-L413 HydrophobicContact CD1-CD1 3.83Å; Y409-L413 HydrophobicContact CD1-CG 4.36Å; Y409-L413 HydrophobicContact CE1-CD1 3.29Å; Y409-L413 HydrophobicContact CE1-CG 4.01Å; Y409-L413 WeakPolarHBondContact O-CG 3.01Å; Y409-L413 PolarHBondContact O-N 3.13Å; L413-N415 VanDerWaalsContact C-N 3.32Å; L413-H416 PolarHBondContact O-CD2 3.38Å |
| 414 | G | 48.8 | Very low | 40.5 | Very low | 59 Ų | 59 | 118.8 Ų | 118.8 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.9 | -19.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R410 E411 H416 | R410-G414 PolarHBondContact O-N 2.79Å; E411-G414 PolarHBondContact O-N 2.95Å; G414-H416 VanDerWaalsContact C-N 3.31Å |
| 415 | N | 41.5 | Very low | 40 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8 | 177.9 | -72.4 | -14.4 | 0 | 0 | 0 | 113.4 | E411 L413 P417 | E411-N415 VanDerWaalsContact O-CB 3.32Å; E411-N415 WeakPolarHBondContact O-CB 3.41Å; E411-N415 PolarHBondContact O-N 3.1Å; E411-N415 PolarHBondContact O-ND2 3.17Å; L413-N415 VanDerWaalsContact C-N 3.32Å; N415-P417 VanDerWaalsContact O-CD 3.32Å; N415-P417 WeakPolarHBondContact O-CD 3.5Å |
| 416 | H | 38.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 54% | 0.542 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -65.8 | 119.9 | 165.7 | -78.9 | -68.7 | 0 | 0 | 0 | 108.4 | L413 G414 T418 | L413-H416 PolarHBondContact O-CD2 3.38Å; G414-H416 VanDerWaalsContact C-N 3.31Å; H416-T418 PolarHBondContact O-N 3.13Å |
| 417 | P | 39.4 | Very low | 39 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -58 | 114.4 | 177.9 | 22.8 | -30.7 | 0 | 0 | 0 | 107.5 | N415 P419 | N415-P417 VanDerWaalsContact O-CD 3.32Å; N415-P417 WeakPolarHBondContact O-CD 3.5Å; P417-P419 WeakPolarHBondContact O-CD 3.42Å; P417-P419 VanDerWaalsContact O-N 3.12Å | ||
| 418 | T | 36.9 | Very low | 38.4 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 120.8 | 164.2 | 28 | 0 | 0 | 0 | 0 | 106.9 | H416 S420 | H416-T418 PolarHBondContact O-N 3.13Å; T418-S420 PolarHBondContact O-N 3.01Å |
| 419 | P | 36.9 | Very low | 37.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.3 | 177.2 | 20.4 | -29.5 | 0 | 0 | 0 | 108 | P417 | P417-P419 WeakPolarHBondContact O-CD 3.42Å; P417-P419 VanDerWaalsContact O-N 3.12Å |
| 420 | S | 31.9 | Very low | 37.4 | Very low | 87 Ų | 87 | 118.9 Ų | 118.9 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.2 | 179.3 | 72.5 | 0 | 0 | 0 | 0 | 109 | T418 D422 | T418-S420 PolarHBondContact O-N 3.01Å; S420-D422 PolarHBondContact O-N 3.28Å |
| 421 | P | 38.2 | Very low | 36.7 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 9.1 | -176 | 28 | -33.1 | 0 | 0 | 0 | 114.4 | ||
| 422 | D | 33.7 | Very low | 35.8 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 19.6 | -167.8 | -68.8 | -27.7 | 0 | 0 | 0 | 115.3 | S420 | S420-D422 PolarHBondContact O-N 3.28Š|
| 423 | S | 28.6 | Very low | 34.9 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | -141.7 | 99.5 | 163 | -158.1 | 0 | 0 | 0 | 0 | 110.8 | Q425 | S423-Q425 PolarHBondContact O-N 3.38Š| ||
| 424 | P | 33.4 | Very low | 34 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | -70.9 | 84.4 | 169 | 30 | -30.2 | 0 | 0 | 0 | 107.2 | S426 | P424-S426 PolarHBondContact O-N 3.05Å; P424-S426 VanDerWaalsContact O-N 3.07Å | ||
| 425 | Q | 31.2 | Very low | 33.1 | Very low | 173 Ų | 173 | 127 Ų | 127 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | -70.6 | 104.2 | 164.9 | -146.3 | 172.4 | 10.8 | 0 | 0 | 105.3 | S423 F427 | S423-Q425 PolarHBondContact O-N 3.38Å; Q425-F427 PolarHBondContact O-N 2.82Å | ||
| 426 | S | 33.1 | Very low | 32.5 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -56.8 | 105.1 | 178.3 | 52.8 | 0 | 0 | 0 | 0 | 108.1 | P424 D428 | P424-S426 PolarHBondContact O-N 3.05Å; P424-S426 VanDerWaalsContact O-N 3.07Å; S426-D428 PolarHBondContact O-N 3.41Å | ||
| 427 | F | 29.7 | Very low | 32 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -63.4 | 108.9 | 161.8 | -111.5 | -94.6 | 0 | 0 | 0 | 105.9 | Q425 A429 | Q425-F427 PolarHBondContact O-N 2.82Å; F427-A429 PolarHBondContact O-N 2.89Å | ||
| 428 | D | 29.9 | Very low | 31.4 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | -61.4 | 90.7 | 168.9 | -88.8 | -33.4 | 0 | 0 | 0 | 107.9 | S426 A430 | S426-D428 PolarHBondContact O-N 3.41Å; D428-A430 PolarHBondContact O-N 3.27Å | ||
| 429 | A | 33.2 | Very low | 31.1 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -61.5 | -4.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F427 I431 L432 | F427-A429 PolarHBondContact O-N 2.89Å; A429-I431 PolarHBondContact O-N 2.81Å; A429-L432 PolarHBondContact O-N 3.39Å |
| 430 | A | 32.7 | Very low | 30.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -65.9 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D428 | D428-A430 PolarHBondContact O-N 3.27Š|
| 431 | I | 31.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -89.8 | -13.6 | -179.6 | -58.4 | -179.1 | 0 | 0 | 0 | 112.7 | A429 | A429-I431 PolarHBondContact O-N 2.81Š|
| 432 | L | 28.4 | Very low | 30 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -6.5 | -174.8 | -98.1 | 158.3 | 0 | 0 | 0 | 116.3 | A429 | A429-L432 PolarHBondContact O-N 3.39Š|
| 433 | E | 29.9 | Very low | 29.6 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -94.5 | -10.2 | -179.1 | -90.2 | -163.8 | 155.7 | 0 | 0 | 116 | S435 | E433-S435 PolarHBondContact O-N 3.35Š|
| 434 | N | 28.2 | Very low | 29.7 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 20.6 | -168.6 | -107.2 | 4.4 | 0 | 0 | 0 | 116.9 | ||
| 435 | S | 29.4 | Very low | 29.5 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 7.5 | 177.7 | 44.8 | 0 | 0 | 0 | 0 | 116.6 | E433 | E433-S435 PolarHBondContact O-N 3.35Š|
| 436 | Y | 28.9 | Very low | 29.3 | Very low | 211 Ų | 211 | 137.2 Ų | 137.2 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -117.1 | 98.2 | 172.8 | -71.4 | -83.3 | 0 | 0 | 0 | 111.8 | ||
| 437 | G | 27.3 | Very low | 29 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 78 | 74.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | L439 | G437-L439 VanDerWaalsContact C-N 3.29Å; G437-L439 PolarHBondContact O-N 3.13Å | ||
| 438 | V | 26 | Very low | 29.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 85.3 | 146.9 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 439 | L | 32.3 | Very low | 29 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -131.5 | 98.1 | 164.2 | -76.6 | 179.4 | 0 | 0 | 0 | 110.2 | G437 | G437-L439 VanDerWaalsContact C-N 3.29Å; G437-L439 PolarHBondContact O-N 3.13Å | ||
| 440 | S | 26.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 71.3 | 113.8 | 142.9 | -144.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 441 | S | 24.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -75 | 127.2 | 166 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 442 | V | 31.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -156 | 92.6 | 151.9 | -175.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 443 | R | 25 | Very low | 28.5 | Very low | 226 Ų | 226 | 139.5 Ų | 139.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | 55.1 | 98.1 | 93.5 | -155.9 | 177.5 | -160.2 | 165.1 | 4 | 112.3 | |||||
| 444 | D | 31.7 | Very low | 28.2 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -172.6 | 117.7 | 130 | -89.3 | -27.7 | 0 | 0 | 0 | 112.9 | ||||
| 445 | Q | 28.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 60.3 | 108.5 | 134.5 | -64.6 | 179.9 | 19.9 | 0 | 0 | 122.3 | ||||
| 446 | S | 27.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | 70.2 | 111.9 | 124.5 | 65.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 447 | D | 26.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 47 | 108.1 | 122.5 | -54.9 | -20.9 | 0 | 0 | 0 | 119.8 | |||||
| 448 | S | 31.9 | Very low | 28 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | -170.6 | 119.8 | 122.8 | 24.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 449 | D | 26.3 | Very low | 28 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -62.5 | 127.1 | 166.1 | -71.6 | -52.7 | 0 | 0 | 0 | 111 | ||||
| 450 | S | 30.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -152.6 | 129.5 | 149.5 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 451 | A | 30.1 | Very low | 27.6 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 155.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 452 | K | 27.6 | Very low | 27.7 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | 56.9 | 102.9 | 146 | -74 | 178.4 | 176.9 | 178.3 | 0 | 117.6 | ||||
| 453 | G | 26.6 | Very low | 27.6 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 177.8 | 89 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P455 | G453-P455 WeakPolarHBondContact O-CD 3.4Å; G453-P455 VanDerWaalsContact O-N 3.09Å | ||
| 454 | T | 25.4 | Very low | 27.7 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -56.1 | 111.1 | 171.6 | -37.2 | 0 | 0 | 0 | 0 | 108.2 | T456 | T454-T456 PolarHBondContact O-N 2.88Å; T454-T456 VanDerWaalsContact O-N 3.11Å | ||
| 455 | P | 29.5 | Very low | 27.4 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -80 | 102.9 | -178.2 | 29.7 | -26.7 | 0 | 0 | 0 | 107.6 | G453 A457 | G453-P455 WeakPolarHBondContact O-CD 3.4Å; G453-P455 VanDerWaalsContact O-N 3.09Å; P455-A457 VanDerWaalsContact C-N 3.32Å; P455-A457 PolarHBondContact O-N 3.06Å | ||
| 456 | T | 25.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -59.6 | 98.7 | 165 | -49.8 | 0 | 0 | 0 | 0 | 107.2 | T454 A458 | T454-T456 PolarHBondContact O-N 2.88Å; T454-T456 VanDerWaalsContact O-N 3.11Å; T456-A458 VanDerWaalsContact C-N 3.35Å; T456-A458 PolarHBondContact O-N 3.04Å | ||
| 457 | A | 28.5 | Very low | 27.3 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -66.2 | 95.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P455 L459 | P455-A457 VanDerWaalsContact C-N 3.32Å; P455-A457 PolarHBondContact O-N 3.06Å; A457-L459 PolarHBondContact O-N 3.43Å | ||
| 458 | A | 25.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -61.4 | 106.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T456 R460 | T456-A458 VanDerWaalsContact C-N 3.35Å; T456-A458 PolarHBondContact O-N 3.04Å; A458-R460 VanDerWaalsContact C-N 3.34Å; A458-R460 PolarHBondContact O-N 3.3Å | ||
| 459 | L | 25.4 | Very low | 27.1 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -56.1 | 96.5 | 172 | -78.1 | 158.3 | 0 | 0 | 0 | 108.4 | A457 T461 | A457-L459 PolarHBondContact O-N 3.43Å; L459-T461 PolarHBondContact O-N 3.26Å | ||
| 460 | R | 22.8 | Very low | 27 | Very low | 238 Ų | 238 | 138.1 Ų | 138.1 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -65.1 | 104.9 | 166.4 | -90.8 | -176.7 | 159.9 | 128.7 | -4.1 | 106.9 | A458 S462 | A458-R460 VanDerWaalsContact C-N 3.34Å; A458-R460 PolarHBondContact O-N 3.3Å; R460-S462 PolarHBondContact O-N 2.93Å | ||
| 461 | T | 28.2 | Very low | 27 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -63.5 | 83 | 163.8 | 46.8 | 0 | 0 | 0 | 0 | 107.7 | L459 K463 | L459-T461 PolarHBondContact O-N 3.26Å; T461-K463 PolarHBondContact O-N 3.3Å | ||
| 462 | S | 26.5 | Very low | 26.9 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 126.1 | 166.8 | 57.1 | 0 | 0 | 0 | 0 | 106.6 | R460 I464 | R460-S462 PolarHBondContact O-N 2.93Å; S462-I464 VanDerWaalsContact C-N 3.29Å; S462-I464 PolarHBondContact O-N 3.32Å | ||
| 463 | K | 29 | Very low | 26.8 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -56 | 96.7 | 173.4 | -69.3 | 174.8 | 177.1 | 179.1 | 0 | 107 | T461 N465 | T461-K463 PolarHBondContact O-N 3.3Å; K463-N465 PolarHBondContact O-N 3.25Å | ||
| 464 | I | 27.5 | Very low | 27.3 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 96.2 | 167.2 | -66.4 | 170.4 | 0 | 0 | 0 | 104.3 | S462 Q466 | S462-I464 VanDerWaalsContact C-N 3.29Å; S462-I464 PolarHBondContact O-N 3.32Å; I464-Q466 PolarHBondContact O-N 3.24Å | ||
| 465 | N | 25.6 | Very low | 27.6 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -55.1 | 109.8 | 166.2 | -80.5 | -27.1 | 0 | 0 | 0 | 105.9 | K463 P467 | K463-N465 PolarHBondContact O-N 3.25Å; N465-P467 WeakPolarHBondContact O-CD 3.46Å; N465-P467 VanDerWaalsContact O-N 3.11Å | ||
| 466 | Q | 27 | Very low | 28.2 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -57.9 | 115.2 | 173.2 | -69.7 | -164.6 | -1.3 | 0 | 0 | 107.7 | I464 R468 | I464-Q466 PolarHBondContact O-N 3.24Å; Q466-R468 PolarHBondContact O-N 2.95Å; Q466-R468 VanDerWaalsContact O-N 3.1Å | ||
| 467 | P | 26.9 | Very low | 29 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -63.1 | 118.9 | 168.3 | 24.7 | -27.9 | 0 | 0 | 0 | 106.4 | N465 A469 | N465-P467 WeakPolarHBondContact O-CD 3.46Å; N465-P467 VanDerWaalsContact O-N 3.11Å; P467-A469 PolarHBondContact O-N 3.09Å | ||
| 468 | R | 25 | Very low | 30 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -59.6 | 88.9 | 167.7 | -173.6 | 177.5 | -165.3 | 153.7 | 2.2 | 106.6 | Q466 T470 | Q466-R468 PolarHBondContact O-N 2.95Å; Q466-R468 VanDerWaalsContact O-N 3.1Å; R468-T470 VanDerWaalsContact C-N 3.29Å; R468-T470 PolarHBondContact O-N 3.46Å | ||
| 469 | A | 29.2 | Very low | 30.9 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 97.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P467 | P467-A469 PolarHBondContact O-N 3.09Š| ||
| 470 | T | 25.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | trans | -60.2 | 131.4 | 158.6 | 18.8 | 0 | 0 | 0 | 0 | 105.8 | R468 H472 | R468-T470 VanDerWaalsContact C-N 3.29Å; R468-T470 PolarHBondContact O-N 3.46Å; T470-H472 PolarHBondContact O-N 2.99Å | ||
| 471 | P | 29.5 | Very low | 33 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -63.6 | 103.9 | 179.8 | 25 | -29.9 | 0 | 0 | 0 | 107 | E473 | P471-E473 PolarHBondContact O-N 3.17Å; P471-E473 VanDerWaalsContact O-N 3.13Å | ||
| 472 | H | 27.9 | Very low | 34 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | trans | -71.9 | 102.2 | 165.5 | -112 | -60.2 | 0 | 0 | 0 | 105.1 | T470 I474 | T470-H472 PolarHBondContact O-N 2.99Å; H472-I474 HydrophobicContact CB-CG1 4.42Å; H472-I474 PolarHBondContact O-N 3.33Å | ||
| 473 | E | 26.6 | Very low | 35 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -56.3 | 98.6 | 155.8 | -81.4 | 173.6 | 153.8 | 0 | 0 | 105.9 | P471 D475 | P471-E473 PolarHBondContact O-N 3.17Å; P471-E473 VanDerWaalsContact O-N 3.13Å; E473-D475 VanDerWaalsContact C-N 3.33Å; E473-D475 PolarHBondContact O-N 3.38Å | ||
| 474 | I | 35.6 | Very low | 35.9 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 62% | 0.621 | 67% | 0.667 | S | S | * | * | trans | -82 | 96.8 | 164.6 | -57.6 | 173.5 | 0 | 0 | 0 | 103.4 | H472 L476 | H472-I474 HydrophobicContact CB-CG1 4.42Å; H472-I474 PolarHBondContact O-N 3.33Å; I474-L476 VanDerWaalsContact C-N 3.31Å; I474-L476 PolarHBondContact O-N 3.46Å | ||
| 475 | D | 32.3 | Very low | 37 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -54.7 | 103.6 | 161.2 | -88.4 | -31.2 | 0 | 0 | 0 | 106.4 | E473 D477 | E473-D475 VanDerWaalsContact C-N 3.33Å; E473-D475 PolarHBondContact O-N 3.38Å; D475-D477 PolarHBondContact O-N 2.95Å | ||
| 476 | L | 41.5 | Very low | 38.2 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | trans | -63.8 | 120.2 | 168 | -72.6 | 166.1 | 0 | 0 | 0 | 105.9 | I474 A478 E480 | I474-L476 VanDerWaalsContact C-N 3.31Å; I474-L476 PolarHBondContact O-N 3.46Å; L476-A478 PolarHBondContact O-N 3.37Å; L476-E480 WeakPolarHBondContact CD2-OE2 3.41Å | ||
| 477 | D | 43.9 | Very low | 39.5 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | trans | -49 | 133 | 173.9 | -90.4 | -32.7 | 0 | 0 | 0 | 108.7 | D475 S479 E480 Q481 | D475-D477 PolarHBondContact O-N 2.95Å; D477-S479 PolarHBondContact O-N 2.83Å; D477-E480 PolarHBondContact O-N 2.89Å; D477-Q481 PolarHBondContact O-N 2.99Å | ||
| 478 | A | 49.2 | Very low | 40.7 | Very low | 81 Ų | 81 | 109.9 Ų | 109.9 | 67% | 0.669 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -51.1 | -23.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L476 A482 | L476-A478 PolarHBondContact O-N 3.37Å; A478-A482 WeakPolarHBondContact O-CB 3.5Å; A478-A482 PolarHBondContact O-N 3.28Å |
| 479 | S | 44.5 | Very low | 41.9 | Very low | 79 Ų | 79 | 105 Ų | 105 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -45.2 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | D477 Q481 A482 Q483 | D477-S479 PolarHBondContact O-N 2.83Å; S479-Q481 VanDerWaalsContact C-N 3.34Å; S479-A482 PolarHBondContact O-N 2.83Å; S479-Q483 WeakPolarHBondContact O-CG 3.32Å; S479-Q483 PolarHBondContact O-N 3.32Å |
| 480 | E | 46.5 | Very low | 42.9 | Very low | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.9 | -35.9 | -179.5 | -70.7 | -167.2 | 163.7 | 0 | 0 | 111.2 | L476 D477 Q483 K484 | L476-E480 WeakPolarHBondContact CD2-OE2 3.41Å; D477-E480 PolarHBondContact O-N 2.89Å; E480-Q483 PolarHBondContact O-N 3.28Å; E480-K484 WeakPolarHBondContact O-CB 3.29Å; E480-K484 PolarHBondContact O-N 3.23Å |
| 481 | Q | 44.8 | Very low | 43.9 | Very low | 124 Ų | 124 | 104.5 Ų | 104.5 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.5 | -37.7 | 177.5 | -144.3 | 172 | 16.3 | 0 | 0 | 111.7 | D477 S479 K484 A485 | D477-Q481 PolarHBondContact O-N 2.99Å; S479-Q481 VanDerWaalsContact C-N 3.34Å; Q481-K484 PolarHBondContact O-N 3.06Å; Q481-A485 WeakPolarHBondContact O-CB 3.27Å; Q481-A485 PolarHBondContact O-N 3.36Å |
| 482 | A | 49.4 | Very low | 44.7 | Very low | 52 Ų | 52 | 106.4 Ų | 106.4 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A478 S479 K484 A485 L486 | A478-A482 WeakPolarHBondContact O-CB 3.5Å; A478-A482 PolarHBondContact O-N 3.28Å; S479-A482 PolarHBondContact O-N 2.83Å; A482-K484 VanDerWaalsContact C-N 3.35Å; A482-K484 PolarHBondContact O-N 2.89Å; A482-A485 PolarHBondContact O-N 2.99Å; A482-L486 PolarHBondContact O-N 3.38Å |
| 483 | Q | 48 | Very low | 45.5 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 174.6 | -78 | -177.8 | -5.3 | 0 | 0 | 111.7 | S479 E480 A485 L486 L487 | S479-Q483 WeakPolarHBondContact O-CG 3.32Å; S479-Q483 PolarHBondContact O-N 3.32Å; E480-Q483 PolarHBondContact O-N 3.28Å; Q483-A485 VanDerWaalsContact C-N 3.35Å; Q483-A485 PolarHBondContact O-N 2.95Å; Q483-L486 PolarHBondContact O-N 2.7Å; Q483-L487 WeakPolarHBondContact O-CB 3.45Å; Q483-L487 PolarHBondContact O-N 3.19Å |
| 484 | K | 47.5 | Very low | 46.2 | Very low | 81 Ų | 81 | 103.5 Ų | 103.5 | 35% | 0.352 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.4 | -178.7 | 173.8 | 178.8 | -179.1 | 0 | 111.5 | E480 Q481 A482 L487 L488 | E480-K484 WeakPolarHBondContact O-CB 3.29Å; E480-K484 PolarHBondContact O-N 3.23Å; Q481-K484 PolarHBondContact O-N 3.06Å; A482-K484 VanDerWaalsContact C-N 3.35Å; A482-K484 PolarHBondContact O-N 2.89Å; K484-L487 PolarHBondContact O-N 3.43Å; K484-L488 HydrophobicContact CG-CD1 3.83Å; K484-L488 WeakPolarHBondContact O-CB 3.42Å; K484-L488 WeakPolarHBondContact O-CD1 3.48Å; K484-L488 PolarHBondContact O-N 2.79Å |
| 485 | A | 50.4 | Low | 46.1 | Very low | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q481 A482 Q483 L487 L488 E489 | Q481-A485 WeakPolarHBondContact O-CB 3.27Å; Q481-A485 PolarHBondContact O-N 3.36Å; A482-A485 PolarHBondContact O-N 2.99Å; Q483-A485 VanDerWaalsContact C-N 3.35Å; Q483-A485 PolarHBondContact O-N 2.95Å; A485-L487 VanDerWaalsContact C-N 3.35Å; A485-L487 PolarHBondContact O-N 3.16Å; A485-L488 PolarHBondContact O-N 3.18Å; A485-E489 PolarHBondContact O-N 3.48Å |
| 486 | L | 51.7 | Low | 46 | Very low | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.1 | -44.9 | 175.6 | -84.9 | 164 | 0 | 0 | 0 | 111.7 | A482 Q483 L488 E489 E490 | A482-L486 PolarHBondContact O-N 3.38Å; Q483-L486 PolarHBondContact O-N 2.7Å; L486-L488 PolarHBondContact O-N 2.95Å; L486-E489 PolarHBondContact O-N 3.47Å; L486-E490 WeakPolarHBondContact O-CB 3.47Å; L486-E490 PolarHBondContact O-N 3.11Å |
| 487 | L | 53.5 | Low | 45.6 | Very low | 49 Ų | 49 | 98.2 Ų | 98.2 | 26% | 0.257 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70 | -34.7 | -177.4 | -151.1 | 137.6 | 0 | 0 | 0 | 111.9 | S271 Q483 K484 A485 I491 | S271-L487 WeakPolarHBondContact OG-CD1 3.36Å; Q483-L487 WeakPolarHBondContact O-CB 3.45Å; Q483-L487 PolarHBondContact O-N 3.19Å; K484-L487 PolarHBondContact O-N 3.43Å; A485-L487 VanDerWaalsContact C-N 3.35Å; A485-L487 PolarHBondContact O-N 3.16Å; L487-I491 HydrophobicContact CD2-CD1 3.72Å; L487-I491 WeakPolarHBondContact O-CD1 3.17Å; L487-I491 WeakPolarHBondContact O-CG1 3.46Å; L487-I491 PolarHBondContact O-N 3.1Å |
| 488 | L | 53.5 | Low | 45.2 | Very low | 59 Ų | 59 | 97.2 Ų | 97.2 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.4 | -36.5 | 171.4 | -94.1 | 146.5 | 0 | 0 | 0 | 112.6 | K484 A485 L486 K492 | K484-L488 HydrophobicContact CG-CD1 3.83Å; K484-L488 WeakPolarHBondContact O-CB 3.42Å; K484-L488 WeakPolarHBondContact O-CD1 3.48Å; K484-L488 PolarHBondContact O-N 2.79Å; A485-L488 PolarHBondContact O-N 3.18Å; L486-L488 PolarHBondContact O-N 2.95Å; L488-K492 WeakPolarHBondContact O-CB 3.32Å; L488-K492 WeakPolarHBondContact O-CG 3.16Å; L488-K492 PolarHBondContact O-N 3.1Å |
| 489 | E | 50.2 | Low | 44.2 | Very low | 131 Ų | 131 | 96.8 Ų | 96.8 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.8 | -43.9 | 175 | -161.8 | -176.2 | -164.8 | 0 | 0 | 111.2 | A485 L486 I491 K492 T493 | A485-E489 PolarHBondContact O-N 3.48Å; L486-E489 PolarHBondContact O-N 3.47Å; E489-I491 VanDerWaalsContact C-N 3.33Å; E489-I491 PolarHBondContact O-N 2.9Å; E489-K492 WeakPolarHBondContact O-CB 3.38Å; E489-K492 PolarHBondContact O-N 2.88Å; E489-K492 VanDerWaalsContact O-N 3.09Å; E489-T493 PolarHBondContact O-N 3.05Å; E489-T493 PolarHBondContact O-OG1 3.43Å |
| 490 | E | 48.5 | Very low | 43.4 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.8 | -42.3 | 176.8 | -152.9 | 174.9 | -161.9 | 0 | 0 | 110.9 | L486 T493 F494 | L486-E490 WeakPolarHBondContact O-CB 3.47Å; L486-E490 PolarHBondContact O-N 3.11Å; E490-T493 WeakPolarHBondContact CA-OG1 3.37Å; E490-T493 PolarHBondContact O-N 3.48Å; E490-T493 PolarHBondContact O-OG1 2.81Å; E490-F494 WeakPolarHBondContact O-CD2 3.36Å; E490-F494 PolarHBondContact O-N 2.8Å |
| 491 | I | 46.8 | Very low | 42.6 | Very low | 63 Ų | 63 | 107 Ų | 107 | 32% | 0.323 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 173.9 | -66.2 | 167.1 | 0 | 0 | 0 | 112 | L300 L487 E489 T493 F494 | L300-I491 HydrophobicContact CD2-CD1 4.42Å; L487-I491 HydrophobicContact CD2-CD1 3.72Å; L487-I491 WeakPolarHBondContact O-CD1 3.17Å; L487-I491 WeakPolarHBondContact O-CG1 3.46Å; L487-I491 PolarHBondContact O-N 3.1Å; E489-I491 VanDerWaalsContact C-N 3.33Å; E489-I491 PolarHBondContact O-N 2.9Å; I491-T493 VanDerWaalsContact C-N 3.31Å; I491-T493 PolarHBondContact O-N 3Å; I491-F494 WeakPolarHBondContact O-CB 3.48Å; I491-F494 PolarHBondContact O-N 3.01Å; I491-F494 VanDerWaalsContact O-N 3.12Å |
| 492 | K | 46.8 | Very low | 41.7 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.1 | -38.6 | 175.1 | -85.9 | 179.5 | 179 | 176.2 | 0 | 111.7 | L488 E489 F494 G495 | L488-K492 WeakPolarHBondContact O-CB 3.32Å; L488-K492 WeakPolarHBondContact O-CG 3.16Å; L488-K492 PolarHBondContact O-N 3.1Å; E489-K492 WeakPolarHBondContact O-CB 3.38Å; E489-K492 PolarHBondContact O-N 2.88Å; E489-K492 VanDerWaalsContact O-N 3.09Å; K492-F494 PolarHBondContact O-N 2.88Å; K492-G495 PolarHBondContact O-N 3.1Å; K492-G495 VanDerWaalsContact O-N 3.17Å |
| 493 | T | 45.1 | Very low | 40.6 | Very low | 94 Ų | 94 | 115.8 Ų | 115.8 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.9 | -24.9 | 174.4 | 40.6 | 0 | 0 | 0 | 0 | 113.4 | E489 E490 I491 G495 | E489-T493 PolarHBondContact O-N 3.05Å; E489-T493 PolarHBondContact O-OG1 3.43Å; E490-T493 WeakPolarHBondContact CA-OG1 3.37Å; E490-T493 PolarHBondContact O-N 3.48Å; E490-T493 PolarHBondContact O-OG1 2.81Å; I491-T493 VanDerWaalsContact C-N 3.31Å; I491-T493 PolarHBondContact O-N 3Å; T493-G495 PolarHBondContact O-N 2.89Å |
| 494 | F | 41.6 | Very low | 39.6 | Very low | 181 Ų | 181 | 115.5 Ų | 115.5 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -16.1 | 173.9 | -97.9 | -87.9 | 0 | 0 | 0 | 114.2 | E490 I491 K492 | E490-F494 WeakPolarHBondContact O-CD2 3.36Å; E490-F494 PolarHBondContact O-N 2.8Å; I491-F494 WeakPolarHBondContact O-CB 3.48Å; I491-F494 PolarHBondContact O-N 3.01Å; I491-F494 VanDerWaalsContact O-N 3.12Å; K492-F494 PolarHBondContact O-N 2.88Å |
| 495 | G | 32.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -9.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | K492 T493 | K492-G495 PolarHBondContact O-N 3.1Å; K492-G495 VanDerWaalsContact O-N 3.17Å; T493-G495 PolarHBondContact O-N 2.89Å |
| 496 | G | 29.7 | Very low | 37.5 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -22.9 | -155.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | S498 | G496-S498 PolarHBondContact O-N 3.11Š|
| 497 | S | 33.9 | Very low | 36.4 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | -102 | 52 | -166.3 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | G499 | S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact O-N 3.21Å | ||
| 498 | S | 34.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -88.7 | 78.9 | 155.9 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | G496 L500 | G496-S498 PolarHBondContact O-N 3.11Å; S498-L500 VanDerWaalsContact C-N 3.28Å; S498-L500 PolarHBondContact O-N 3.41Å | ||
| 499 | G | 28 | Very low | 33.9 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | trans | -62.7 | 86.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S497 R501 | S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact O-N 3.21Å; G499-R501 PolarHBondContact O-N 3.44Å | ||
| 500 | L | 29.3 | Very low | 32.9 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | -64.5 | 73.6 | 158.8 | -89.5 | 157.3 | 0 | 0 | 0 | 108.6 | S498 R502 | S498-L500 VanDerWaalsContact C-N 3.28Å; S498-L500 PolarHBondContact O-N 3.41Å; L500-R502 PolarHBondContact O-N 3.34Å; L500-R502 VanDerWaalsContact O-N 3.11Å | ||
| 501 | R | 28 | Very low | 31.9 | Very low | 232 Ų | 232 | 128.4 Ų | 128.4 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | -67.3 | 106.7 | 160.7 | -78 | -173.8 | -178.5 | -170.1 | 1.7 | 106.5 | G499 T503 | G499-R501 PolarHBondContact O-N 3.44Å; R501-T503 PolarHBondContact O-N 3.44Å | ||
| 502 | R | 26.4 | Very low | 30.9 | Very low | 236 Ų | 236 | 128.1 Ų | 128.1 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -54.8 | 105.6 | 167.2 | -61.5 | -178.8 | -152.9 | -177 | 6.3 | 107 | L500 P504 | L500-R502 PolarHBondContact O-N 3.34Å; L500-R502 VanDerWaalsContact O-N 3.11Å; R502-P504 VanDerWaalsContact O-CD 3.27Å; R502-P504 WeakPolarHBondContact O-CD 3.38Å | ||
| 503 | T | 26.7 | Very low | 30 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -68.1 | 116.2 | 168.8 | 39.5 | 0 | 0 | 0 | 0 | 106.9 | R501 N505 | R501-T503 PolarHBondContact O-N 3.44Å; T503-N505 PolarHBondContact O-N 3.23Å | ||
| 504 | P | 26.7 | Very low | 29 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -64.7 | 127.1 | 178.9 | 24.6 | -30.5 | 0 | 0 | 0 | 108.7 | R502 S506 | R502-P504 VanDerWaalsContact O-CD 3.27Å; R502-P504 WeakPolarHBondContact O-CD 3.38Å; P504-S506 PolarHBondContact O-N 2.84Å | ||
| 505 | N | 27.9 | Very low | 28.2 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -32.6 | 100.8 | 176.2 | -68.9 | -34.6 | 0 | 0 | 0 | 112.3 | T503 A507 | T503-N505 PolarHBondContact O-N 3.23Å; N505-A507 PolarHBondContact O-N 3.02Å | ||
| 506 | S | 27.2 | Very low | 27.7 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 107.7 | 162.2 | 63.3 | 0 | 0 | 0 | 0 | 106.6 | P504 K508 | P504-S506 PolarHBondContact O-N 2.84Å; S506-K508 VanDerWaalsContact C-N 3.3Å; S506-K508 PolarHBondContact O-N 2.87Å | ||
| 507 | A | 28.5 | Very low | 27.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -53.1 | 91.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | N505 S509 | N505-A507 PolarHBondContact O-N 3.02Å; A507-S509 VanDerWaalsContact C-N 3.33Å; A507-S509 PolarHBondContact O-N 2.88Å; A507-S509 VanDerWaalsContact O-N 3.16Å | ||
| 508 | K | 28.1 | Very low | 27.2 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -80.6 | 94.1 | 162.9 | -79.6 | -173.8 | 177.4 | 179 | 0 | 106.9 | S506 A510 | S506-K508 VanDerWaalsContact C-N 3.3Å; S506-K508 PolarHBondContact O-N 2.87Å; K508-A510 PolarHBondContact O-N 2.97Å | ||
| 509 | S | 25.7 | Very low | 27 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -36.2 | 100.2 | 152.8 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | A507 | A507-S509 VanDerWaalsContact C-N 3.33Å; A507-S509 PolarHBondContact O-N 2.88Å; A507-S509 VanDerWaalsContact O-N 3.16Å | ||
| 510 | A | 28.4 | Very low | 27.1 | Very low | 90 Ų | 90 | 157 Ų | 157 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -114.5 | 97.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | K508 G512 | K508-A510 PolarHBondContact O-N 2.97Å; A510-G512 PolarHBondContact O-N 3.32Å | ||
| 511 | D | 28.9 | Very low | 26.9 | Very low | 147 Ų | 147 | 156.7 Ų | 156.7 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -57 | 82.2 | 166.7 | -70.9 | -49.6 | 0 | 0 | 0 | 109.3 | V513 | D511-V513 VanDerWaalsContact C-N 3.28Å; D511-V513 PolarHBondContact O-N 2.86Å; D511-V513 VanDerWaalsContact O-N 3.13Å | ||
| 512 | G | 24.5 | Very low | 26.9 | Very low | 57 Ų | 57 | 152.7 Ų | 152.7 | 59% | 0.588 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 75 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A510 F514 | A510-G512 PolarHBondContact O-N 3.32Å; G512-F514 WeakPolarHBondContact O-CD2 3.29Å; G512-F514 PolarHBondContact O-N 2.82Å; G512-F514 VanDerWaalsContact O-N 3.08Å | ||
| 513 | V | 27.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | trans | -68.9 | 101.8 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 108 | D511 T515 | D511-V513 VanDerWaalsContact C-N 3.28Å; D511-V513 PolarHBondContact O-N 2.86Å; D511-V513 VanDerWaalsContact O-N 3.13Å; V513-T515 HydrophobicContact CG1-CG2 4.45Å; V513-T515 PolarHBondContact O-N 3.31Å; V513-T515 VanDerWaalsContact O-N 3.15Å | ||
| 514 | F | 24 | Very low | 26.9 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -71.4 | 98.1 | 173.3 | -84.7 | -94.1 | 0 | 0 | 0 | 110.2 | G512 | G512-F514 WeakPolarHBondContact O-CD2 3.29Å; G512-F514 PolarHBondContact O-N 2.82Å; G512-F514 VanDerWaalsContact O-N 3.08Å | ||
| 515 | T | 26 | Very low | 26.9 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | -86.2 | 108.4 | 165.7 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | V513 K517 | V513-T515 HydrophobicContact CG1-CG2 4.45Å; V513-T515 PolarHBondContact O-N 3.31Å; V513-T515 VanDerWaalsContact O-N 3.15Å; T515-K517 PolarHBondContact O-N 3.07Å | ||
| 516 | F | 23 | Very low | 26.9 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | -65.8 | 112.2 | 166.1 | -103.8 | -100.5 | 0 | 0 | 0 | 109.6 | ||||
| 517 | K | 26.3 | Very low | 26.9 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -90.8 | 108.4 | 164.4 | -87 | -174.6 | 176.8 | 178.8 | 0 | 109.1 | T515 F519 | T515-K517 PolarHBondContact O-N 3.07Å; K517-F519 PolarHBondContact O-N 3.17Å | ||
| 518 | Q | 26.2 | Very low | 26.7 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -60.3 | 114.7 | 169.5 | -167.6 | 167.9 | -0.1 | 0 | 0 | 109.1 | ||||
| 519 | F | 29.4 | Very low | 26.6 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -81.9 | 139.9 | 163.9 | -87 | -85.5 | 0 | 0 | 0 | 108.8 | K517 | K517-F519 PolarHBondContact O-N 3.17Š| ||
| 520 | Q | 29.6 | Very low | 26.7 | Very low | 263 Ų | 263 | 160.6 Ų | 160.6 | 100% | 1.229 | 83% | 0.829 | S | S | * | * | trans | -67.1 | 0 | -168.1 | -152.8 | 173.3 | 10 | 0 | 0 | 113.6 |
Retrieved 520 of 520 residues in 641.4 ms
(Link to these results)