| 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 | 38.9 | Very low | 40.6 | Very low | 241 Ų | 241 | 141.5 Ų | 141.5 | 100% | 1.187 | 84% | 0.84 | S | S | * | * | 0 | 120.9 | 0 | -80.3 | -63.8 | -150.8 | 0 | 0 | 108 | |||||
| 2 | P | 47.8 | Very low | 40.7 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -93 | 156.5 | -175 | 36.8 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 3 | G | 33.4 | Very low | 40.6 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | 164.1 | 91.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | Y | 37.5 | Very low | 40.5 | Very low | 218 Ų | 218 | 142.3 Ų | 142.3 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | 47.3 | 125.3 | 95.2 | -75.3 | -93.2 | 0 | 0 | 0 | 111.6 | |||||
| 5 | T | 42.9 | Very low | 40.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | cis | -178.7 | 139.8 | 9.5 | 12.2 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 6 | E | 38.5 | Very low | 40.3 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 167.4 | 98.8 | 138 | -96.7 | 179.5 | 162.9 | 0 | 0 | 109.5 | ||||
| 7 | A | 35.5 | Very low | 40.3 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -130.5 | 88.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 8 | K | 44.4 | Very low | 40.2 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 151.6 | 159.6 | -94.8 | 175.6 | 175.3 | 169.5 | 0 | 108.8 | ||||
| 9 | S | 42.3 | Very low | 40 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 77 | 104.5 | 164.3 | 86.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 10 | A | 40.4 | Very low | 40.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | 171.1 | 63.1 | 118.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 11 | A | 44.5 | Very low | 40.1 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -154.7 | 65.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 12 | P | 42.8 | Very low | 40.1 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -132 | 10 | 148.2 | 36.8 | -23 | 0 | 0 | 0 | 114.6 | ||
| 13 | E | 39.4 | Very low | 39.6 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -89.7 | -24.8 | -177.8 | -79.3 | -173.1 | 155.9 | 0 | 0 | 114.8 | ||
| 14 | M | 39.3 | Very low | 39.7 | Very low | 171 Ų | 171 | 131 Ų | 131 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -16.1 | -179.6 | -72.8 | -113.3 | -96.3 | 0 | 0 | 114 | ||
| 15 | A | 37.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 126 Ų | 126 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -25.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 16 | L | 40.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 62% | 0.618 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -18.5 | 178.3 | -79.2 | 163.9 | 0 | 0 | 0 | 113.3 | I20 | L16-I20 WeakPolarHBondContact O-CD1 3.46Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å |
| 17 | A | 39.7 | Very low | 39.9 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -82.7 | -18 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 18 | L | 38.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -89.7 | -15.9 | 177.4 | -81 | 159 | 0 | 0 | 0 | 113.2 | ||
| 19 | D | 36.5 | Very low | 39.7 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -90.6 | -7 | 177.8 | -97.5 | -13 | 0 | 0 | 0 | 114.1 | ||
| 20 | I | 41.1 | Very low | 39.7 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -12.3 | -179.2 | -64.4 | 170.2 | 0 | 0 | 0 | 112.4 | L16 | L16-I20 WeakPolarHBondContact O-CD1 3.46Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å |
| 21 | F | 40 | Very low | 39.7 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 16.1 | 178.2 | -95.8 | -82.9 | 0 | 0 | 0 | 114.8 | M23 | F21-M23 PolarHBondContact O-N 3.31Š|
| 22 | S | 38.4 | Very low | 39.7 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -91.7 | 63 | 163.4 | -159.1 | 0 | 0 | 0 | 0 | 109.3 | P24 | S22-P24 WeakPolarHBondContact O-CD 3.36Š| ||
| 23 | M | 37.4 | Very low | 39.8 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | -67.8 | 116.6 | 160.5 | -81.5 | -70.5 | -70.9 | 0 | 0 | 106 | F21 | F21-M23 PolarHBondContact O-N 3.31Š| ||
| 24 | P | 37.1 | Very low | 40.1 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 58% | 0.584 | 70% | 0.699 | S | S | * | * | trans | -56.4 | 144.8 | 171.4 | 25.7 | -31.2 | 0 | 0 | 0 | 107.1 | S22 S26 | S22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-S26 PolarHBondContact O-N 2.87Å | ||
| 25 | P | 40 | Very low | 40.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | trans | -64.1 | 93.8 | 171.8 | 27 | -30 | 0 | 0 | 0 | 106.5 | Y27 | P25-Y27 PolarHBondContact O-N 2.7Š| ||
| 26 | S | 38.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | -73.6 | 50.2 | 163.1 | 61.8 | 0 | 0 | 0 | 0 | 108.3 | P24 D28 | P24-S26 PolarHBondContact O-N 2.87Å; S26-D28 PolarHBondContact O-N 3.38Å | ||
| 27 | Y | 44.1 | Very low | 40.5 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | trans | -86.4 | 76.1 | 143.4 | -80.7 | -89.2 | 0 | 0 | 0 | 104.2 | P25 G29 | P25-Y27 PolarHBondContact O-N 2.7Å; Y27-G29 PolarHBondContact O-N 3Å | ||
| 28 | D | 38.9 | Very low | 40.5 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -60 | 91.8 | 142.4 | -139.8 | 6.9 | 0 | 0 | 0 | 102.2 | S26 L30 | S26-D28 PolarHBondContact O-N 3.38Å; D28-L30 PolarHBondContact O-N 3.27Å | ||
| 29 | G | 36.1 | Very low | 40.6 | Very low | 49 Ų | 49 | 129.4 Ų | 129.4 | 51% | 0.505 | 70% | 0.704 | S | S | . | * | trans | -47.2 | 120.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 103.7 | Y27 A31 | Y27-G29 PolarHBondContact O-N 3Å; G29-A31 PolarHBondContact O-N 2.97Å | ||
| 30 | L | 43.5 | Very low | 40.7 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -60.8 | 79.9 | 169.4 | -73.7 | 168.8 | 0 | 0 | 0 | 105.2 | D28 I32 | D28-L30 PolarHBondContact O-N 3.27Å; L30-I32 PolarHBondContact O-N 3.38Å | ||
| 31 | A | 40.2 | Very low | 40.9 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 56% | 0.562 | 71% | 0.705 | S | S | * | * | trans | -60.7 | 88.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 102 | G29 H33 | G29-A31 PolarHBondContact O-N 2.97Å; A31-H33 HydrophobicContact CB-CB 4.27Å; A31-H33 PolarHBondContact O-N 3.28Å | ||
| 32 | I | 45.4 | Very low | 41.2 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 61% | 0.605 | 70% | 0.7 | S | S | * | * | trans | -64.2 | 55.5 | 152 | -51.9 | 171.9 | 0 | 0 | 0 | 105.5 | L30 R34 | L30-I32 PolarHBondContact O-N 3.38Å; I32-R34 PolarHBondContact O-N 3.36Å | ||
| 33 | H | 44.8 | Very low | 41.1 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 73% | 0.731 | 70% | 0.703 | S | S | * | * | trans | -88 | 94.9 | 165.2 | -79.7 | -40.8 | 0 | 0 | 0 | 104.5 | A31 | A31-H33 HydrophobicContact CB-CB 4.27Å; A31-H33 PolarHBondContact O-N 3.28Å | ||
| 34 | R | 45.5 | Very low | 41.2 | Very low | 218 Ų | 218 | 126.1 Ų | 126.1 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | trans | 69.2 | 84.7 | 156 | -55.4 | 175.4 | 179.9 | -168.2 | -1.4 | 112.1 | I32 P36 | I32-R34 PolarHBondContact O-N 3.36Å; R34-P36 WeakPolarHBondContact O-CD 3.49Å | ||
| 35 | I | 39 | Very low | 41.5 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | trans | -46.4 | 115.8 | 135.2 | -60.3 | 171.1 | 0 | 0 | 0 | 104.4 | L37 | I35-L37 VanDerWaalsContact C-N 3.25Å; I35-L37 PolarHBondContact O-N 3.49Å | ||
| 36 | P | 41 | Very low | 41.5 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -61.4 | 105.2 | 166 | -8.3 | 24.2 | 0 | 0 | 0 | 103.2 | R34 S38 | R34-P36 WeakPolarHBondContact O-CD 3.49Å; P36-S38 PolarHBondContact O-N 2.91Å | ||
| 37 | L | 44.1 | Very low | 42 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -54.6 | 97.8 | 157.7 | -80.2 | 147.6 | 0 | 0 | 0 | 103.2 | I35 T39 | I35-L37 VanDerWaalsContact C-N 3.25Å; I35-L37 PolarHBondContact O-N 3.49Å; L37-T39 HydrophobicContact CB-CG2 4.45Å; L37-T39 PolarHBondContact O-N 3.42Å | ||
| 38 | S | 39.9 | Very low | 42.4 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -64 | 85.3 | 160.7 | -152.4 | 0 | 0 | 0 | 0 | 103 | P36 D40 | P36-S38 PolarHBondContact O-N 2.91Å; S38-D40 PolarHBondContact O-N 3.41Å; S38-D40 PolarHBondContact OG-OD1 3.07Å | ||
| 39 | T | 40.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -65.3 | 78.9 | 154.4 | 53.1 | 0 | 0 | 0 | 0 | 103 | L37 I41 | L37-T39 HydrophobicContact CB-CG2 4.45Å; L37-T39 PolarHBondContact O-N 3.42Å; T39-I41 PolarHBondContact O-N 3.23Å | ||
| 40 | D | 39.3 | Very low | 43.8 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | trans | -59.6 | 93.3 | 156 | -72.6 | -6.9 | 0 | 0 | 0 | 102.5 | S38 I42 | S38-D40 PolarHBondContact O-N 3.41Å; S38-D40 PolarHBondContact OG-OD1 3.07Å; D40-I42 PolarHBondContact O-N 3.5Å | ||
| 41 | I | 45.8 | Very low | 44.6 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 70% | 0.703 | 68% | 0.684 | S | S | * | * | trans | -60.8 | 96 | 174.5 | -64.1 | 167.4 | 0 | 0 | 0 | 102.7 | T39 P43 | T39-I41 PolarHBondContact O-N 3.23Å; I41-P43 WeakPolarHBondContact O-CD 3.46Å | ||
| 42 | I | 46.7 | Very low | 45.6 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 74% | 0.744 | 67% | 0.672 | S | S | * | * | trans | -48 | 120.4 | 166.5 | -62.3 | 172.4 | 0 | 0 | 0 | 103.8 | D40 V44 | D40-I42 PolarHBondContact O-N 3.5Å; I42-V44 PolarHBondContact O-N 2.9Å | ||
| 43 | P | 35.6 | Very low | 46.4 | Very low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | trans | -52.1 | 114.6 | -176.2 | -24.6 | 31.6 | 0 | 0 | 0 | 107.4 | I41 M45 | I41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-M45 VanDerWaalsContact C-N 3.3Å; P43-M45 PolarHBondContact O-N 3.39Å | ||
| 44 | V | 40.3 | Very low | 47.5 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | trans | -56.6 | 105.1 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 104.5 | I42 P46 | I42-V44 PolarHBondContact O-N 2.9Å; V44-P46 VanDerWaalsContact O-N 3.12Å | ||
| 45 | M | 42.8 | Very low | 48.8 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -50.7 | 126.9 | 174.8 | -81.9 | -165.9 | 76.9 | 0 | 0 | 106 | P43 M47 | P43-M45 VanDerWaalsContact C-N 3.3Å; P43-M45 PolarHBondContact O-N 3.39Å; M45-M47 PolarHBondContact O-N 3.43Å | ||
| 46 | P | 41.1 | Very low | 50.7 | Low | 120 Ų | 120 | 115.8 Ų | 115.8 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -53 | 114.3 | -173.2 | 17.8 | -29.3 | 0 | 0 | 0 | 107.6 | V44 K48 | V44-P46 VanDerWaalsContact O-N 3.12Å; P46-K48 PolarHBondContact O-N 3.26Å | ||
| 47 | M | 47.6 | Very low | 52.5 | Low | 133 Ų | 133 | 111.3 Ų | 111.3 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | trans | -56 | 117.2 | 179.2 | -66.7 | -155.2 | -164.9 | 0 | 0 | 106 | M45 T49 | M45-M47 PolarHBondContact O-N 3.43Å; M47-T49 VanDerWaalsContact C-N 3.33Å; M47-T49 PolarHBondContact O-N 2.93Å | ||
| 48 | K | 53 | Low | 54.1 | Low | 166 Ų | 166 | 109.6 Ų | 109.6 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | -56.3 | 104.3 | 175.5 | -152 | 173.9 | -173 | -175.9 | 0 | 105.2 | P46 L50 | P46-K48 PolarHBondContact O-N 3.26Å; K48-L50 PolarHBondContact O-N 2.89Å | ||
| 49 | T | 48.3 | Very low | 56.2 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | trans | -54.9 | 122 | -174.2 | 31 | 0 | 0 | 0 | 0 | 106.9 | M47 T51 | M47-T49 VanDerWaalsContact C-N 3.33Å; M47-T49 PolarHBondContact O-N 2.93Å; T49-T51 PolarHBondContact O-N 2.8Å | ||
| 50 | L | 55.9 | Low | 58.2 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | trans | -73.6 | 33.2 | -175.4 | -58 | 168.4 | 0 | 0 | 0 | 110.6 | K48 K221 | K48-L50 PolarHBondContact O-N 2.89Å; L50-K221 HydrophobicContact CB-CD 4.03Å; L50-K221 HydrophobicContact CD2-CB 4.02Å; L50-K221 HydrophobicContact CD2-CD 3.83Å; L50-K221 HydrophobicContact CD2-CG 3.49Å; L50-K221 VanDerWaalsContact CD2-CG 3.49Å; L50-K221 HydrophobicContact CG-CD 4.46Å; L50-K221 WeakPolarHBondContact O-CE 3.41Å; L50-K221 PolarHBondContact O-NZ 3.48Å | ||
| 51 | T | 59.2 | Low | 60.4 | Low | 94 Ų | 94 | 108.4 Ų | 108.4 | 58% | 0.577 | 59% | 0.589 | S | S | * | * | trans | -74.1 | 146.5 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | T49 S53 | T49-T51 PolarHBondContact O-N 2.8Å; T51-S53 PolarHBondContact O-N 3.34Å | ||
| 52 | P | 61.8 | Low | 62.2 | Low | 46 Ų | 46 | 102 Ų | 102 | 30% | 0.299 | 56% | 0.556 | S | S | . | * | trans | -58.6 | 135 | 171.5 | 23.4 | -30.3 | 0 | 0 | 0 | 109.2 | K54 L212 T213 | P52-K54 PolarHBondContact O-N 3.35Å; P52-L212 HydrophobicContact CB-CB 4.06Å; P52-T213 HydrophobicContact CB-CG2 3.99Å | ||
| 53 | S | 63.3 | Low | 64.1 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -69.3 | -17.6 | -177 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | T51 E217 | T51-S53 PolarHBondContact O-N 3.34Å; S53-E217 WeakPolarHBondContact CB-OE1 3.35Å; S53-E217 PolarHBondContact OG-OE1 3.39Å |
| 54 | K | 67.9 | Low | 66.6 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 40% | 0.396 | 54% | 0.541 | S | S | . | . | trans | -111.8 | 137.1 | -175.6 | -62.4 | 175.1 | -173.5 | 171.6 | 0 | 110.2 | P52 L212 | P52-K54 PolarHBondContact O-N 3.35Å; K54-L212 HydrophobicContact CB-CD2 4.23Å; K54-L212 WeakPolarHBondContact O-CD1 3.27Å; K54-L212 WeakPolarHBondContact O-CD2 3.49Å | ||
| 55 | S | 72.8 | Confident | 68.9 | Low | 95 Ų | 95 | 102.3 Ų | 102.3 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -100.7 | -7.4 | 174.2 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 56 | K | 77.4 | Confident | 71.2 | Confident | 156 Ų | 156 | 95.2 Ų | 95.2 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -132.3 | 145.1 | -177.6 | -63.7 | -176.8 | -178.2 | 178.8 | 0 | 111.5 | N58 L212 | K56-N58 PolarHBondContact O-N 3.02Å; K56-N58 PolarHBondContact O-OD1 3.08Å; K56-L212 WeakPolarHBondContact O-CD2 3.34Å |
| 57 | L | 79.4 | Confident | 73.5 | Confident | 18 Ų | 18 | 93.4 Ų | 93.4 | 9% | 0.094 | 48% | 0.484 | C | S | . | . | trans | -74.7 | 117.8 | 175.2 | -63.2 | 177.1 | 0 | 0 | 0 | 110 | A62 K63 M66 F208 L211 L212 | L57-A62 HydrophobicContact CB-CB 4.3Å; L57-A62 HydrophobicContact CD1-CB 4.26Å; L57-A62 HydrophobicContact CD2-CB 4.08Å; L57-A62 HydrophobicContact CG-CB 4.45Å; L57-K63 HydrophobicContact CB-CG 4.15Å; L57-K63 WeakPolarHBondContact O-CE 3.27Å; L57-M66 HydrophobicContact CD1-CB 4.3Å; L57-M66 HydrophobicContact CD1-CG 3.3Å; L57-M66 HydrophobicContact CD1-SD 4.47Å; L57-F208 HydrophobicContact CD1-CD2 3.86Å; L57-F208 HydrophobicContact CD1-CE2 3.92Å; L57-F208 HydrophobicContact CD2-CD2 4.34Å; L57-F208 HydrophobicContact CD2-CE2 4.36Å; L57-F208 HydrophobicContact CG-CD2 4.04Å; L57-F208 HydrophobicContact CG-CE2 3.76Å; L57-L211 HydrophobicContact CD2-CB 3.54Å; L57-L212 HydrophobicContact CD2-CD2 3.9Å; L57-L212 HydrophobicContact CD2-CG 4.11Å; L57-L212 HydrophobicContact CG-CD2 4.45Å | ||
| 58 | N | 78.1 | Confident | 75.6 | Confident | 115 Ų | 115 | 91.5 Ų | 91.5 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | trans | -96.5 | -17.1 | -174.6 | -66.7 | -6.3 | 0 | 0 | 0 | 113.3 | K56 | K56-N58 PolarHBondContact O-N 3.02Å; K56-N58 PolarHBondContact O-OD1 3.08Å | ||
| 59 | T | 83.4 | Confident | 77.4 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 46% | 0.46 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -94.8 | 145.3 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | E61 A62 K63 | T59-E61 VanDerWaalsContact C-N 3.28Å; T59-A62 PolarHBondContact O-N 3.36Å; T59-A62 WeakPolarHBondContact OG1-CB 3.36Å; T59-A62 PolarHBondContact OG1-N 3.45Å; T59-K63 WeakPolarHBondContact O-CG 3.3Å; T59-K63 PolarHBondContact O-N 3.17Å; T59-K63 VanDerWaalsContact O-N 3.14Å |
| 60 | I | 83.4 | Confident | 79.4 | Confident | 107 Ų | 107 | 82 Ų | 82 | 55% | 0.549 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 179.8 | -61.7 | 170.9 | 0 | 0 | 0 | 109.5 | K63 R64 | I60-K63 PolarHBondContact O-N 3.3Å; I60-R64 HydrophobicContact CG2-CG 4.47Å; I60-R64 WeakPolarHBondContact O-CB 3.46Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.36Å; I60-R64 PolarHBondContact O-N 3.08Å |
| 61 | E | 85.5 | Confident | 81 | Confident | 117 Ų | 117 | 82.1 Ų | 82.1 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.2 | -64 | 69.6 | -152.1 | 0 | 0 | 111.3 | T59 K63 R64 I65 | T59-E61 VanDerWaalsContact C-N 3.28Å; E61-K63 PolarHBondContact O-N 3.07Å; E61-R64 WeakPolarHBondContact O-CB 3.44Å; E61-R64 PolarHBondContact O-N 3.14Å; E61-I65 VanDerWaalsContact O-CG1 3.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.48Å |
| 62 | A | 83.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 2% | 0.017 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L57 T59 R64 I65 M66 L211 | L57-A62 HydrophobicContact CB-CB 4.3Å; L57-A62 HydrophobicContact CD1-CB 4.26Å; L57-A62 HydrophobicContact CD2-CB 4.08Å; L57-A62 HydrophobicContact CG-CB 4.45Å; T59-A62 PolarHBondContact O-N 3.36Å; T59-A62 WeakPolarHBondContact OG1-CB 3.36Å; T59-A62 PolarHBondContact OG1-N 3.45Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.9Å; A62-I65 PolarHBondContact O-N 2.97Å; A62-M66 WeakPolarHBondContact O-CG 3.04Å; A62-M66 PolarHBondContact O-N 3.34Å; A62-L211 HydrophobicContact CB-CB 4.14Å; A62-L211 HydrophobicContact CB-CD1 4.14Å; A62-L211 HydrophobicContact CB-CD2 4.02Å; A62-L211 HydrophobicContact CB-CG 4.34Å |
| 63 | K | 86.6 | Confident | 83.7 | Confident | 116 Ų | 116 | 78.4 Ų | 78.4 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 173.4 | -70.2 | 178.8 | -173.8 | 179.6 | 0 | 111.3 | L57 T59 I60 E61 M66 T67 | L57-K63 HydrophobicContact CB-CG 4.15Å; L57-K63 WeakPolarHBondContact O-CE 3.27Å; T59-K63 WeakPolarHBondContact O-CG 3.3Å; T59-K63 PolarHBondContact O-N 3.17Å; T59-K63 VanDerWaalsContact O-N 3.14Å; I60-K63 PolarHBondContact O-N 3.3Å; E61-K63 PolarHBondContact O-N 3.07Å; K63-M66 PolarHBondContact O-N 3.5Å; K63-T67 WeakPolarHBondContact O-CG2 3.43Å; K63-T67 PolarHBondContact O-N 3.42Å; K63-T67 PolarHBondContact O-OG1 3.08Å |
| 64 | R | 88 | Confident | 84.8 | Confident | 164 Ų | 164 | 80 Ų | 80 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 176.8 | -77.6 | 175.4 | 176.5 | -168.4 | -0.2 | 112.5 | I60 E61 A62 M66 T67 V68 | I60-R64 HydrophobicContact CG2-CG 4.47Å; I60-R64 WeakPolarHBondContact O-CB 3.46Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.36Å; I60-R64 PolarHBondContact O-N 3.08Å; E61-R64 WeakPolarHBondContact O-CB 3.44Å; E61-R64 PolarHBondContact O-N 3.14Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.9Å; R64-M66 VanDerWaalsContact C-N 3.31Å; R64-M66 PolarHBondContact O-N 3.37Å; R64-T67 VanDerWaalsContact CA-OG1 3.27Å; R64-T67 WeakPolarHBondContact CA-OG1 3.35Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 3.42Å; R64-V68 VanDerWaalsContact O-CG2 3.3Å; R64-V68 WeakPolarHBondContact O-CG2 2.91Å; R64-V68 PolarHBondContact O-N 3.05Å |
| 65 | I | 88.4 | Confident | 85.7 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 44% | 0.441 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 177.2 | -69 | 164 | 0 | 0 | 0 | 110.2 | E61 A62 V68 L69 L211 | E61-I65 VanDerWaalsContact O-CG1 3.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.48Å; A62-I65 PolarHBondContact O-N 2.97Å; I65-V68 PolarHBondContact O-N 3.37Å; I65-L69 PolarHBondContact O-N 2.94Å; I65-L69 VanDerWaalsContact O-N 3.09Å; I65-L211 HydrophobicContact CB-CD1 4.48Å; I65-L211 HydrophobicContact CG2-CD1 4.2Å |
| 66 | M | 89.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.4 | -65.9 | -48.8 | -63.4 | 0 | 0 | 112.6 | L57 A62 K63 R64 V68 L69 D70 R204 F208 L211 | L57-M66 HydrophobicContact CD1-CB 4.3Å; L57-M66 HydrophobicContact CD1-CG 3.3Å; L57-M66 HydrophobicContact CD1-SD 4.47Å; A62-M66 WeakPolarHBondContact O-CG 3.04Å; A62-M66 PolarHBondContact O-N 3.34Å; K63-M66 PolarHBondContact O-N 3.5Å; R64-M66 VanDerWaalsContact C-N 3.31Å; R64-M66 PolarHBondContact O-N 3.37Å; M66-V68 VanDerWaalsContact C-N 3.32Å; M66-V68 PolarHBondContact O-N 3Å; M66-L69 PolarHBondContact O-N 3.35Å; M66-D70 WeakPolarHBondContact O-CB 3.48Å; M66-D70 VanDerWaalsContact O-CG 3.26Å; M66-D70 PolarHBondContact O-N 3.41Å; M66-R204 HydrophobicContact CE-CB 4.45Å; M66-R204 HydrophobicContact CE-CG 3.35Å; M66-F208 HydrophobicContact CE-CB 4.05Å; M66-F208 HydrophobicContact CE-CD2 4.26Å; M66-F208 HydrophobicContact SD-CB 4.42Å; M66-L211 HydrophobicContact CG-CD1 4.29Å; M66-L211 HydrophobicContact SD-CD1 3.9Å |
| 67 | T | 90.4 | Very high | 86.9 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | K63 R64 L69 D70 E71 | K63-T67 WeakPolarHBondContact O-CG2 3.43Å; K63-T67 PolarHBondContact O-N 3.42Å; K63-T67 PolarHBondContact O-OG1 3.08Å; R64-T67 VanDerWaalsContact CA-OG1 3.27Å; R64-T67 WeakPolarHBondContact CA-OG1 3.35Å; R64-T67 PolarHBondContact O-N 3.22Å; R64-T67 PolarHBondContact O-OG1 3.42Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-D70 PolarHBondContact O-N 3.41Å; T67-E71 VanDerWaalsContact O-CB 3.32Å; T67-E71 WeakPolarHBondContact O-CB 3.47Å; T67-E71 PolarHBondContact O-N 2.92Å |
| 68 | V | 92 | Very high | 87.1 | Confident | 93 Ų | 93 | 71 Ų | 71 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | R64 I65 M66 A72 | R64-V68 VanDerWaalsContact O-CG2 3.3Å; R64-V68 WeakPolarHBondContact O-CG2 2.91Å; R64-V68 PolarHBondContact O-N 3.05Å; I65-V68 PolarHBondContact O-N 3.37Å; M66-V68 VanDerWaalsContact C-N 3.32Å; M66-V68 PolarHBondContact O-N 3Å; V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.44Å; V68-A72 PolarHBondContact O-N 3.3Å |
| 69 | L | 90.3 | Very high | 87.6 | Confident | 22 Ų | 22 | 69 Ų | 69 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 177 | -174.4 | 60.1 | 0 | 0 | 0 | 112 | I65 M66 T67 A72 I73 L200 R204 L207 | I65-L69 PolarHBondContact O-N 2.94Å; I65-L69 VanDerWaalsContact O-N 3.09Å; M66-L69 PolarHBondContact O-N 3.35Å; T67-L69 VanDerWaalsContact C-N 3.34Å; L69-A72 PolarHBondContact O-N 2.92Å; L69-I73 HydrophobicContact CD1-CD1 4.47Å; L69-I73 HydrophobicContact CG-CD1 4.09Å; L69-I73 WeakPolarHBondContact O-CB 3.5Å; L69-I73 VanDerWaalsContact O-CG1 3.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.46Å; L69-L200 HydrophobicContact CD1-CD2 4.41Å; L69-R204 HydrophobicContact CD2-CB 3.7Å; L69-R204 HydrophobicContact CD2-CG 4.14Å; L69-R204 HydrophobicContact CG-CB 4.38Å; L69-L207 HydrophobicContact CD2-CD1 3.87Å |
| 70 | D | 90.1 | Very high | 87.7 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.3 | -72.8 | -23.3 | 0 | 0 | 0 | 110.9 | M66 T67 I73 Q74 R204 | M66-D70 WeakPolarHBondContact O-CB 3.48Å; M66-D70 VanDerWaalsContact O-CG 3.26Å; M66-D70 PolarHBondContact O-N 3.41Å; T67-D70 PolarHBondContact O-N 3.41Å; D70-I73 PolarHBondContact O-N 3.34Å; D70-Q74 WeakPolarHBondContact O-CB 3.48Å; D70-Q74 PolarHBondContact O-N 3.29Å; D70-R204 WeakPolarHBondContact OD1-CD 3.48Å; D70-R204 IonicContact OD1-CZ 2.68Å; D70-R204 IonicContact OD1-NE 2.68Å; D70-R204 PolarHBondContact OD1-NE 3.14Å; D70-R204 IonicContact OD1-NH2 2.84Å; D70-R204 IonicContact OD2-NE 3.61Å; D70-R204 IonicContact OD2-NH2 3.61Å; D70-R204 PolarHBondContact OD2-NH2 2.97Å |
| 71 | E | 89.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 175.5 | -169.7 | -175.8 | 166.4 | 0 | 0 | 112.1 | T67 Q74 K75 | T67-E71 VanDerWaalsContact O-CB 3.32Å; T67-E71 WeakPolarHBondContact O-CB 3.47Å; T67-E71 PolarHBondContact O-N 2.92Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-K75 HydrophobicContact CG-CD 4.19Å; E71-K75 WeakPolarHBondContact O-CB 3.47Å; E71-K75 WeakPolarHBondContact O-CG 3.46Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 VanDerWaalsContact OE1-CE 3.24Å; E71-K75 WeakPolarHBondContact OE1-CE 3.32Å; E71-K75 IonicContact OE1-NZ 2.6Å; E71-K75 PolarHBondContact OE1-NZ 3.31Å |
| 72 | A | 89.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V68 L69 Q74 K75 V76 | V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.44Å; V68-A72 PolarHBondContact O-N 3.3Å; L69-A72 PolarHBondContact O-N 2.92Å; A72-Q74 VanDerWaalsContact C-N 3.3Å; A72-Q74 PolarHBondContact O-N 3.47Å; A72-K75 PolarHBondContact O-N 3.25Å; A72-V76 WeakPolarHBondContact O-CB 3.3Å; A72-V76 VanDerWaalsContact O-CG2 3.26Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 2.87Å |
| 73 | I | 88.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 174.5 | -71.8 | 164.3 | 0 | 0 | 0 | 110.1 | L69 D70 G77 L197 L200 I201 R204 | L69-I73 HydrophobicContact CD1-CD1 4.47Å; L69-I73 HydrophobicContact CG-CD1 4.09Å; L69-I73 WeakPolarHBondContact O-CB 3.5Å; L69-I73 VanDerWaalsContact O-CG1 3.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.46Å; D70-I73 PolarHBondContact O-N 3.34Å; I73-G77 PolarHBondContact O-N 2.96Å; I73-L197 HydrophobicContact CG2-CD2 4.1Å; I73-L200 HydrophobicContact CD1-CB 4.23Å; I73-L200 HydrophobicContact CG1-CB 3.7Å; I73-L200 HydrophobicContact CG1-CD1 4.4Å; I73-I201 HydrophobicContact CG2-CG1 4.4Å; I73-R204 HydrophobicContact CD1-CB 4.17Å |
| 74 | Q | 87.2 | Confident | 87.5 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -48 | 178.2 | -171.8 | 180 | 5.5 | 0 | 0 | 111.8 | D70 E71 A72 G77 L78 | D70-Q74 WeakPolarHBondContact O-CB 3.48Å; D70-Q74 PolarHBondContact O-N 3.29Å; E71-Q74 PolarHBondContact O-N 2.96Å; A72-Q74 VanDerWaalsContact C-N 3.3Å; A72-Q74 PolarHBondContact O-N 3.47Å; Q74-G77 WeakPolarHBondContact O-CA 3.35Å; Q74-G77 PolarHBondContact O-N 3.37Å; Q74-L78 WeakPolarHBondContact O-CG 2.98Å; Q74-L78 PolarHBondContact O-N 3.35Å |
| 75 | K | 87 | Confident | 87.3 | Confident | 114 Ų | 114 | 46.8 Ų | 46.8 | 50% | 0.496 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | -180 | -76.9 | 172.8 | 171.1 | 171 | 0 | 112.6 | E71 A72 G77 L78 V79 | E71-K75 HydrophobicContact CG-CD 4.19Å; E71-K75 WeakPolarHBondContact O-CB 3.47Å; E71-K75 WeakPolarHBondContact O-CG 3.46Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 VanDerWaalsContact OE1-CE 3.24Å; E71-K75 WeakPolarHBondContact OE1-CE 3.32Å; E71-K75 IonicContact OE1-NZ 2.6Å; E71-K75 PolarHBondContact OE1-NZ 3.31Å; A72-K75 PolarHBondContact O-N 3.25Å; K75-G77 VanDerWaalsContact C-N 3.26Å; K75-G77 PolarHBondContact O-N 3.3Å; K75-L78 PolarHBondContact O-N 2.97Å; K75-V79 VanDerWaalsContact O-CG2 3.23Å; K75-V79 WeakPolarHBondContact O-CG2 3.31Å; K75-V79 PolarHBondContact O-N 3.47Å |
| 76 | V | 87.9 | Confident | 87 | Confident | 42 Ų | 42 | 46 Ų | 46 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | A72 L78 V79 T80 L196 L200 | A72-V76 WeakPolarHBondContact O-CB 3.3Å; A72-V76 VanDerWaalsContact O-CG2 3.26Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 2.87Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.08Å; V76-V79 PolarHBondContact O-N 3.46Å; V76-T80 HydrophobicContact CG1-CG2 4.24Å; V76-T80 WeakPolarHBondContact O-CB 3.24Å; V76-T80 WeakPolarHBondContact O-CG2 3.24Å; V76-T80 PolarHBondContact O-N 2.86Å; V76-T80 PolarHBondContact O-OG1 2.91Å; V76-L196 HydrophobicContact CG1-CD2 4.09Å; V76-L200 HydrophobicContact CB-CD1 4.46Å; V76-L200 HydrophobicContact CG1-CD1 4.35Å; V76-L200 HydrophobicContact CG2-CD1 4.39Å |
| 77 | G | 86 | Confident | 86.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I73 Q74 K75 T80 L81 | I73-G77 PolarHBondContact O-N 2.96Å; Q74-G77 WeakPolarHBondContact O-CA 3.35Å; Q74-G77 PolarHBondContact O-N 3.37Å; K75-G77 VanDerWaalsContact C-N 3.26Å; K75-G77 PolarHBondContact O-N 3.3Å; G77-T80 PolarHBondContact O-OG1 3.39Å; G77-L81 WeakPolarHBondContact O-CD1 3.32Å; G77-L81 WeakPolarHBondContact O-CG 3.49Å |
| 78 | L | 85.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.8 | -46.4 | 177.2 | -68.2 | 174.5 | 0 | 0 | 0 | 112.6 | Q74 K75 V76 T80 L81 L169 I179 | Q74-L78 WeakPolarHBondContact O-CG 2.98Å; Q74-L78 PolarHBondContact O-N 3.35Å; K75-L78 PolarHBondContact O-N 2.97Å; V76-L78 VanDerWaalsContact C-N 3.28Å; V76-L78 PolarHBondContact O-N 3.08Å; L78-T80 PolarHBondContact O-N 3.25Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.96Å; L78-L169 HydrophobicContact CB-CD2 3.97Å; L78-I179 HydrophobicContact CD1-CD1 4.05Å; L78-I179 HydrophobicContact CD2-CB 4.23Å; L78-I179 HydrophobicContact CD2-CD1 3.88Å; L78-I179 HydrophobicContact CD2-CG1 3.77Å; L78-I179 HydrophobicContact CD2-CG2 3.52Å |
| 79 | V | 87.3 | Confident | 85.6 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | K75 V76 L81 M82 L169 | K75-V79 VanDerWaalsContact O-CG2 3.23Å; K75-V79 WeakPolarHBondContact O-CG2 3.31Å; K75-V79 PolarHBondContact O-N 3.47Å; V76-V79 PolarHBondContact O-N 3.46Å; V79-L81 PolarHBondContact O-N 3.33Å; V79-M82 VanDerWaalsContact O-CB 3.24Å; V79-M82 WeakPolarHBondContact O-CB 3.26Å; V79-M82 WeakPolarHBondContact O-CG 3.46Å; V79-M82 PolarHBondContact O-N 3.38Å; V79-M82 VanDerWaalsContact O-N 3.08Å; V79-L169 HydrophobicContact CG2-CD1 3.52Å; V79-L169 HydrophobicContact CG2-CD2 4.23Å |
| 80 | T | 85.9 | Confident | 85.1 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.3 | 178.4 | 53 | 0 | 0 | 0 | 0 | 114.4 | V76 G77 L78 S83 R189 A193 | V76-T80 HydrophobicContact CG1-CG2 4.24Å; V76-T80 WeakPolarHBondContact O-CB 3.24Å; V76-T80 WeakPolarHBondContact O-CG2 3.24Å; V76-T80 PolarHBondContact O-N 2.86Å; V76-T80 PolarHBondContact O-OG1 2.91Å; G77-T80 PolarHBondContact O-OG1 3.39Å; L78-T80 PolarHBondContact O-N 3.25Å; T80-S83 PolarHBondContact O-OG 3.25Å; T80-R189 WeakPolarHBondContact OG1-CD 3.43Å; T80-R189 PolarHBondContact OG1-NE 3.3Å; T80-A193 HydrophobicContact CG2-CB 3.47Å; T80-A193 VanDerWaalsContact CG2-CB 3.47Å |
| 81 | L | 85.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.5 | 172.5 | -63.6 | 168.2 | 0 | 0 | 0 | 112.4 | G77 L78 V79 S83 Y84 V85 L182 Q183 A186 R189 | G77-L81 WeakPolarHBondContact O-CD1 3.32Å; G77-L81 WeakPolarHBondContact O-CG 3.49Å; L78-L81 WeakPolarHBondContact O-CB 3.31Å; L78-L81 PolarHBondContact O-N 2.96Å; V79-L81 PolarHBondContact O-N 3.33Å; L81-S83 PolarHBondContact O-N 2.87Å; L81-Y84 WeakPolarHBondContact O-CB 3.4Å; L81-Y84 PolarHBondContact O-N 3.39Å; L81-V85 PolarHBondContact O-N 3.08Å; L81-L182 HydrophobicContact CB-CD2 4.1Å; L81-L182 HydrophobicContact CB-CG 4.35Å; L81-L182 HydrophobicContact CD1-CD2 4.4Å; L81-L182 HydrophobicContact CD1-CG 4.33Å; L81-Q183 HydrophobicContact CD1-CG 3.59Å; L81-A186 HydrophobicContact CD2-CB 3.95Å; L81-R189 HydrophobicContact CD2-CG 4.24Å |
| 82 | M | 84.3 | Confident | 84 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -33.8 | 177.7 | -70.3 | -59.1 | -57.3 | 0 | 0 | 112.3 | V79 Y84 V85 E86 T165 I168 L169 L172 | V79-M82 VanDerWaalsContact O-CB 3.24Å; V79-M82 WeakPolarHBondContact O-CB 3.26Å; V79-M82 WeakPolarHBondContact O-CG 3.46Å; V79-M82 PolarHBondContact O-N 3.38Å; V79-M82 VanDerWaalsContact O-N 3.08Å; M82-Y84 PolarHBondContact O-N 2.98Å; M82-V85 WeakPolarHBondContact O-CB 3.14Å; M82-V85 PolarHBondContact O-N 3.46Å; M82-E86 WeakPolarHBondContact O-CB 3.26Å; M82-E86 WeakPolarHBondContact O-CG 3.33Å; M82-E86 PolarHBondContact O-N 3.32Å; M82-T165 HydrophobicContact CE-CG2 4.32Å; M82-T165 HydrophobicContact CG-CG2 4.22Å; M82-I168 HydrophobicContact CE-CB 4.08Å; M82-I168 HydrophobicContact CE-CD1 3.83Å; M82-I168 HydrophobicContact CE-CG2 3.71Å; M82-I168 HydrophobicContact SD-CG2 3.83Å; M82-L169 HydrophobicContact CG-CD2 4.1Å; M82-L169 HydrophobicContact SD-CD2 4.07Å; M82-L169 HydrophobicContact SD-CG 4.43Å; M82-L172 HydrophobicContact SD-CD1 4.26Å |
| 83 | S | 82.5 | Confident | 83.4 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 42% | 0.42 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -29.6 | 175 | 61 | 0 | 0 | 0 | 0 | 113.4 | T80 L81 S87 | T80-S83 PolarHBondContact O-OG 3.25Å; L81-S83 PolarHBondContact O-N 2.87Å; S83-S87 WeakPolarHBondContact O-CB 3.42Å; S83-S87 PolarHBondContact O-N 3.42Å; S83-S87 PolarHBondContact O-OG 3.38Å |
| 84 | Y | 83.5 | Confident | 82.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -76.1 | -41.9 | 173.8 | 177.2 | -107.3 | 0 | 0 | 0 | 111.1 | L81 M82 E86 S87 H88 L92 L182 R185 A186 P187 | L81-Y84 WeakPolarHBondContact O-CB 3.4Å; L81-Y84 PolarHBondContact O-N 3.39Å; M82-Y84 PolarHBondContact O-N 2.98Å; Y84-E86 VanDerWaalsContact C-N 3.27Å; Y84-E86 PolarHBondContact O-N 2.89Å; Y84-S87 WeakPolarHBondContact CA-OG 3.38Å; Y84-S87 PolarHBondContact O-N 3.28Å; Y84-S87 PolarHBondContact O-OG 2.9Å; Y84-H88 AromaticContact CD2-ND1 3.56Å; Y84-H88 HydrophobicContact CE2-CB 4.12Å; Y84-H88 AromaticContact CE2-CG 3.8Å; Y84-H88 AromaticContact CE2-ND1 3.57Å; Y84-H88 PolarHBondContact O-N 2.6Å; Y84-H88 VanDerWaalsContact O-N 3.12Å; Y84-L92 HydrophobicContact CE1-CD2 4.27Å; Y84-L182 HydrophobicContact CD1-CD1 3.81Å; Y84-L182 HydrophobicContact CE1-CD1 4.27Å; Y84-R185 HydrophobicContact CE1-CG 4.45Å; Y84-A186 HydrophobicContact CD1-CB 3.73Å; Y84-A186 HydrophobicContact CD2-CB 4.41Å; Y84-A186 HydrophobicContact CE1-CB 4.16Å; Y84-A186 HydrophobicContact CG-CB 3.85Å; Y84-P187 VanDerWaalsContact CD2-CD 3.46Å; Y84-P187 HydrophobicContact CD2-CG 4.24Å; Y84-P187 HydrophobicContact CE2-CG 4.1Å |
| 85 | V | 83 | Confident | 82.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | L81 M82 L92 I104 L182 | L81-V85 PolarHBondContact O-N 3.08Å; M82-V85 WeakPolarHBondContact O-CB 3.14Å; M82-V85 PolarHBondContact O-N 3.46Å; V85-L92 HydrophobicContact CB-CD1 4.19Å; V85-L92 HydrophobicContact CG1-CD1 3.99Å; V85-L92 HydrophobicContact CG2-CD1 4.19Å; V85-I104 HydrophobicContact CG1-CD1 3.65Å; V85-I104 HydrophobicContact CG1-CG1 3.82Å; V85-I104 HydrophobicContact CG1-CG2 4.01Å; V85-L182 HydrophobicContact CG2-CD1 3.79Å; V85-L182 HydrophobicContact CG2-CD2 3.96Å |
| 86 | E | 81.6 | Confident | 82 | Confident | 70 Ų | 70 | 45.1 Ų | 45.1 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.9 | -29.7 | 179.6 | -71.2 | 165.1 | -154.5 | 0 | 0 | 113.3 | M82 Y84 H107 L108 | M82-E86 WeakPolarHBondContact O-CB 3.26Å; M82-E86 WeakPolarHBondContact O-CG 3.33Å; M82-E86 PolarHBondContact O-N 3.32Å; Y84-E86 VanDerWaalsContact C-N 3.27Å; Y84-E86 PolarHBondContact O-N 2.89Å; E86-H107 IonicContact OE1-NE2 2.7Å; E86-H107 PolarHBondContact OE1-NE2 3.04Å; E86-L108 HydrophobicContact CB-CD2 4.16Å; E86-L108 HydrophobicContact CG-CD2 4.36Å; E86-L108 WeakPolarHBondContact O-CD2 3.46Å |
| 87 | S | 81.9 | Confident | 81.9 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -91.9 | -18 | -175.4 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | S83 Y84 | S83-S87 WeakPolarHBondContact O-CB 3.42Å; S83-S87 PolarHBondContact O-N 3.42Å; S83-S87 PolarHBondContact O-OG 3.38Å; Y84-S87 WeakPolarHBondContact CA-OG 3.38Å; Y84-S87 PolarHBondContact O-N 3.28Å; Y84-S87 PolarHBondContact O-OG 2.9Å |
| 88 | H | 82.2 | Confident | 81.7 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | trans | -136.6 | 56.8 | -175.1 | -57.2 | 80.8 | 0 | 0 | 0 | 112.6 | Y84 D90 A91 L92 | Y84-H88 AromaticContact CD2-ND1 3.56Å; Y84-H88 HydrophobicContact CE2-CB 4.12Å; Y84-H88 AromaticContact CE2-CG 3.8Å; Y84-H88 AromaticContact CE2-ND1 3.57Å; Y84-H88 PolarHBondContact O-N 2.6Å; Y84-H88 VanDerWaalsContact O-N 3.12Å; H88-D90 VanDerWaalsContact C-N 3.3Å; H88-D90 PolarHBondContact O-N 3.43Å; H88-A91 HydrophobicContact CB-CB 4.04Å; H88-A91 PolarHBondContact O-N 2.9Å; H88-L92 WeakPolarHBondContact O-CG 3.32Å | ||
| 89 | P | 79.4 | Confident | 81.7 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -60.5 | -39.1 | -179.4 | 24.8 | -33.2 | 0 | 0 | 0 | 112.4 | A91 L92 E93 L108 | P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.08Å; P89-L92 WeakPolarHBondContact O-CB 3.43Å; P89-L92 PolarHBondContact O-N 3.46Å; P89-E93 PolarHBondContact O-N 3.17Å; P89-L108 HydrophobicContact CB-CD1 3.83Å; P89-L108 HydrophobicContact CG-CD1 3.92Å |
| 90 | D | 79.9 | Confident | 81.5 | Confident | 131 Ų | 131 | 51.3 Ų | 51.3 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -64.4 | -30.2 | -178.7 | -50.7 | -22.1 | 0 | 0 | 0 | 112.5 | H88 L92 E93 | H88-D90 VanDerWaalsContact C-N 3.3Å; H88-D90 PolarHBondContact O-N 3.43Å; D90-L92 PolarHBondContact O-N 3.37Å; D90-E93 PolarHBondContact O-N 2.98Å |
| 91 | A | 77.6 | Confident | 81.5 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -74.7 | -12.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | H88 P89 | H88-A91 HydrophobicContact CB-CB 4.04Å; H88-A91 PolarHBondContact O-N 2.9Å; P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.08Å |
| 92 | L | 78.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -12.6 | -178.4 | -58.2 | 173.6 | 0 | 0 | 0 | 111.9 | Y84 V85 H88 P89 D90 G94 V95 F96 M101 | Y84-L92 HydrophobicContact CE1-CD2 4.27Å; V85-L92 HydrophobicContact CB-CD1 4.19Å; V85-L92 HydrophobicContact CG1-CD1 3.99Å; V85-L92 HydrophobicContact CG2-CD1 4.19Å; H88-L92 WeakPolarHBondContact O-CG 3.32Å; P89-L92 WeakPolarHBondContact O-CB 3.43Å; P89-L92 PolarHBondContact O-N 3.46Å; D90-L92 PolarHBondContact O-N 3.37Å; L92-G94 PolarHBondContact O-N 2.9Å; L92-V95 PolarHBondContact O-N 3.32Å; L92-V95 VanDerWaalsContact O-N 3.17Å; L92-F96 HydrophobicContact CB-CD2 3.9Å; L92-F96 HydrophobicContact CB-CE2 4.03Å; L92-F96 HydrophobicContact CB-CG 4.41Å; L92-F96 HydrophobicContact CD1-CD2 4.32Å; L92-F96 HydrophobicContact CD1-CE2 3.74Å; L92-F96 HydrophobicContact CD1-CZ 4.37Å; L92-F96 HydrophobicContact CD2-CE1 4.24Å; L92-F96 HydrophobicContact CD2-CE2 3.86Å; L92-F96 HydrophobicContact CD2-CZ 3.72Å; L92-F96 HydrophobicContact CG-CD2 4.46Å; L92-F96 HydrophobicContact CG-CE2 4.08Å; L92-F96 HydrophobicContact CG-CZ 4.45Å; L92-F96 PolarHBondContact O-N 2.96Å; L92-F96 VanDerWaalsContact O-N 3.11Å; L92-M101 HydrophobicContact CB-SD 4.08Å |
| 93 | E | 76.4 | Confident | 81.7 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 128.8 | 176.7 | -161.1 | 156.9 | -137 | 0 | 0 | 110.8 | P89 D90 V95 M101 R105 | P89-E93 PolarHBondContact O-N 3.17Å; D90-E93 PolarHBondContact O-N 2.98Å; E93-V95 VanDerWaalsContact C-N 3.26Å; E93-V95 PolarHBondContact O-N 3.4Å; E93-M101 HydrophobicContact CB-CE 3.94Å; E93-M101 HydrophobicContact CG-CE 4.27Å; E93-R105 IonicContact OE1-NH1 3.89Å; E93-R105 PolarHBondContact OE1-NH1 3.45Å; E93-R105 VanDerWaalsContact OE1-NH1 3.08Å |
| 94 | G | 73.8 | Confident | 82 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 81% | 0.814 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -15.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L92 | L92-G94 PolarHBondContact O-N 2.9Š|
| 95 | V | 77.6 | Confident | 82.2 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -36.4 | 175 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | L92 E93 | L92-V95 PolarHBondContact O-N 3.32Å; L92-V95 VanDerWaalsContact O-N 3.17Å; E93-V95 VanDerWaalsContact C-N 3.26Å; E93-V95 PolarHBondContact O-N 3.4Å |
| 96 | F | 82.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -94.2 | 147.3 | 178.4 | -71.8 | -3.4 | 0 | 0 | 0 | 111.7 | L92 L100 M101 I104 I178 L182 | L92-F96 HydrophobicContact CB-CD2 3.9Å; L92-F96 HydrophobicContact CB-CE2 4.03Å; L92-F96 HydrophobicContact CB-CG 4.41Å; L92-F96 HydrophobicContact CD1-CD2 4.32Å; L92-F96 HydrophobicContact CD1-CE2 3.74Å; L92-F96 HydrophobicContact CD1-CZ 4.37Å; L92-F96 HydrophobicContact CD2-CE1 4.24Å; L92-F96 HydrophobicContact CD2-CE2 3.86Å; L92-F96 HydrophobicContact CD2-CZ 3.72Å; L92-F96 HydrophobicContact CG-CD2 4.46Å; L92-F96 HydrophobicContact CG-CE2 4.08Å; L92-F96 HydrophobicContact CG-CZ 4.45Å; L92-F96 PolarHBondContact O-N 2.96Å; L92-F96 VanDerWaalsContact O-N 3.11Å; F96-L100 HydrophobicContact CB-CD2 3.99Å; F96-L100 HydrophobicContact CB-CG 4.37Å; F96-L100 HydrophobicContact CD1-CD2 4.44Å; F96-L100 HydrophobicContact CD2-CD2 3.73Å; F96-L100 HydrophobicContact CD2-CG 4.18Å; F96-L100 HydrophobicContact CE2-CD2 4.26Å; F96-L100 HydrophobicContact CG-CD2 3.81Å; F96-L100 HydrophobicContact CG-CG 4.49Å; F96-M101 HydrophobicContact CB-CG 3.82Å; F96-M101 HydrophobicContact CB-SD 3.78Å; F96-M101 HydrophobicContact CD2-SD 4.1Å; F96-M101 HydrophobicContact CG-SD 4.38Å; F96-I104 HydrophobicContact CD2-CD1 3.73Å; F96-I104 HydrophobicContact CE2-CD1 4.09Å; F96-I178 HydrophobicContact CD1-CG2 3.67Å; F96-I178 HydrophobicContact CE1-CG2 3.38Å; F96-I178 HydrophobicContact CG-CG2 4.46Å; F96-I178 HydrophobicContact CZ-CG2 3.9Å; F96-L182 HydrophobicContact CZ-CB 4.32Å; F96-L182 HydrophobicContact CZ-CD1 4.16Å |
| 97 | P | 84.7 | Confident | 82.9 | Confident | 47 Ų | 47 | 58 Ų | 58 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | trans | -55.2 | 146.7 | 173.1 | -24.7 | 33.9 | 0 | 0 | 0 | 111.7 | D99 L100 M101 I178 | P97-D99 PolarHBondContact O-N 3.41Å; P97-D99 VanDerWaalsContact O-N 3.14Å; P97-L100 WeakPolarHBondContact O-CA 3.32Å; P97-L100 WeakPolarHBondContact O-CB 3.19Å; P97-L100 PolarHBondContact O-N 2.96Å; P97-M101 PolarHBondContact O-N 3.36Å; P97-I178 VanDerWaalsContact CD-CD1 3.41Å; P97-I178 HydrophobicContact CG-CD1 3.77Å | ||
| 98 | E | 82.7 | Confident | 83.3 | Confident | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.7 | -32.7 | -175.5 | -164.9 | 57.2 | -147.8 | 0 | 0 | 112.8 | M101 R102 R105 | E98-M101 PolarHBondContact O-N 3.43Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.01Å; E98-R105 IonicContact OE1-CZ 3.27Å; E98-R105 IonicContact OE1-NH2 3.52Å; E98-R105 PolarHBondContact OE1-NH2 3.2Å |
| 99 | D | 84.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 175.6 | -64.9 | -36.4 | 0 | 0 | 0 | 112.9 | P97 R102 A103 | P97-D99 PolarHBondContact O-N 3.41Å; P97-D99 VanDerWaalsContact O-N 3.14Å; D99-R102 IonicContact OD1-CZ 3.54Å; D99-R102 IonicContact OD1-NH1 2.82Å; D99-R102 PolarHBondContact OD1-NH1 2.77Å; D99-R102 IonicContact OD1-NH2 3.45Å; D99-A103 PolarHBondContact O-N 3.29Å; D99-A103 VanDerWaalsContact O-N 3.11Å |
| 100 | L | 84.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.7 | -41.4 | 175 | 179.1 | 60.3 | 0 | 0 | 0 | 110.5 | F96 P97 R102 A103 I104 I168 L171 L172 I178 | F96-L100 HydrophobicContact CB-CD2 3.99Å; F96-L100 HydrophobicContact CB-CG 4.37Å; F96-L100 HydrophobicContact CD1-CD2 4.44Å; F96-L100 HydrophobicContact CD2-CD2 3.73Å; F96-L100 HydrophobicContact CD2-CG 4.18Å; F96-L100 HydrophobicContact CE2-CD2 4.26Å; F96-L100 HydrophobicContact CG-CD2 3.81Å; F96-L100 HydrophobicContact CG-CG 4.49Å; P97-L100 WeakPolarHBondContact O-CA 3.32Å; P97-L100 WeakPolarHBondContact O-CB 3.19Å; P97-L100 PolarHBondContact O-N 2.96Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 3.41Å; L100-A103 PolarHBondContact O-N 3.47Å; L100-I104 HydrophobicContact CD1-CD1 4.31Å; L100-I104 HydrophobicContact CG-CD1 4.01Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.49Å; L100-I104 PolarHBondContact O-N 2.84Å; L100-I168 HydrophobicContact CD1-CG2 4.1Å; L100-L171 HydrophobicContact CD1-CB 3.92Å; L100-L171 HydrophobicContact CD1-CD1 4.19Å; L100-L172 HydrophobicContact CD1-CG 4.46Å; L100-L172 HydrophobicContact CD2-CD2 3.8Å; L100-I178 HydrophobicContact CD2-CD1 4.26Å; L100-I178 HydrophobicContact CD2-CG2 4.13Å |
| 101 | M | 85.1 | Confident | 84.5 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 174.5 | -72.3 | -57.6 | -63.5 | 0 | 0 | 112 | L92 E93 F96 P97 E98 I104 R105 | L92-M101 HydrophobicContact CB-SD 4.08Å; E93-M101 HydrophobicContact CB-CE 3.94Å; E93-M101 HydrophobicContact CG-CE 4.27Å; F96-M101 HydrophobicContact CB-CG 3.82Å; F96-M101 HydrophobicContact CB-SD 3.78Å; F96-M101 HydrophobicContact CD2-SD 4.1Å; F96-M101 HydrophobicContact CG-SD 4.38Å; P97-M101 PolarHBondContact O-N 3.36Å; E98-M101 PolarHBondContact O-N 3.43Å; M101-I104 PolarHBondContact O-N 3.32Å; M101-I104 HydrophobicContact SD-CD1 4.18Å; M101-R105 WeakPolarHBondContact O-CG 3.46Å; M101-R105 PolarHBondContact O-N 3.32Å |
| 102 | R | 86.5 | Confident | 85 | Confident | 118 Ų | 118 | 54.8 Ų | 54.8 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 171.4 | -170.8 | -174.5 | -57.5 | 123.9 | 9.8 | 111.2 | E98 D99 L100 I104 R105 E106 | E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.01Å; D99-R102 IonicContact OD1-CZ 3.54Å; D99-R102 IonicContact OD1-NH1 2.82Å; D99-R102 PolarHBondContact OD1-NH1 2.77Å; D99-R102 IonicContact OD1-NH2 3.45Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 3.41Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 3.47Å; R102-R105 PolarHBondContact O-N 2.96Å; R102-E106 WeakPolarHBondContact CG-OE1 3.47Å; R102-E106 WeakPolarHBondContact O-CG 3.36Å; R102-E106 PolarHBondContact O-N 3.09Å |
| 103 | A | 86.9 | Confident | 85.6 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | D99 L100 H107 I168 L171 | D99-A103 PolarHBondContact O-N 3.29Å; D99-A103 VanDerWaalsContact O-N 3.11Å; L100-A103 PolarHBondContact O-N 3.47Å; A103-H107 VanDerWaalsContact O-CB 3.23Å; A103-H107 WeakPolarHBondContact O-CB 3.47Å; A103-H107 PolarHBondContact O-N 2.82Å; A103-I168 HydrophobicContact CB-CG1 4.22Å; A103-L171 HydrophobicContact CB-CD1 3.94Å |
| 104 | I | 88.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 174.4 | -69.1 | 162.6 | 0 | 0 | 0 | 110.8 | V85 F96 L100 M101 R102 H107 L108 I168 | V85-I104 HydrophobicContact CG1-CD1 3.65Å; V85-I104 HydrophobicContact CG1-CG1 3.82Å; V85-I104 HydrophobicContact CG1-CG2 4.01Å; F96-I104 HydrophobicContact CD2-CD1 3.73Å; F96-I104 HydrophobicContact CE2-CD1 4.09Å; L100-I104 HydrophobicContact CD1-CD1 4.31Å; L100-I104 HydrophobicContact CG-CD1 4.01Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.49Å; L100-I104 PolarHBondContact O-N 2.84Å; M101-I104 PolarHBondContact O-N 3.32Å; M101-I104 HydrophobicContact SD-CD1 4.18Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 3.47Å; I104-H107 WeakPolarHBondContact O-CB 3.32Å; I104-H107 PolarHBondContact O-N 3.42Å; I104-L108 HydrophobicContact CG2-CD1 4.09Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.4Å; I104-L108 PolarHBondContact O-N 3.47Å; I104-I168 HydrophobicContact CG1-CD1 4.06Å; I104-I168 HydrophobicContact CG1-CG1 4.39Å; I104-I168 HydrophobicContact CG1-CG2 4.48Å |
| 105 | R | 88.6 | Confident | 86.9 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 30% | 0.302 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 176.5 | -75 | -176.4 | -74.2 | -113.6 | 1.9 | 111.7 | E93 E98 M101 R102 H107 L108 D109 | E93-R105 IonicContact OE1-NH1 3.89Å; E93-R105 PolarHBondContact OE1-NH1 3.45Å; E93-R105 VanDerWaalsContact OE1-NH1 3.08Å; E98-R105 IonicContact OE1-CZ 3.27Å; E98-R105 IonicContact OE1-NH2 3.52Å; E98-R105 PolarHBondContact OE1-NH2 3.2Å; M101-R105 WeakPolarHBondContact O-CG 3.46Å; M101-R105 PolarHBondContact O-N 3.32Å; R102-R105 PolarHBondContact O-N 2.96Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 3.34Å; R105-L108 WeakPolarHBondContact O-CB 3.27Å; R105-L108 PolarHBondContact O-N 2.92Å; R105-L108 VanDerWaalsContact O-N 3.12Å; R105-D109 VanDerWaalsContact O-CG 3.26Å; R105-D109 PolarHBondContact O-N 3.45Å |
| 106 | E | 88.6 | Confident | 87.4 | Confident | 104 Ų | 104 | 59 Ų | 59 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 174.4 | -70.5 | 170.6 | -169.3 | 0 | 0 | 112.1 | R102 D109 I110 | R102-E106 WeakPolarHBondContact CG-OE1 3.47Å; R102-E106 WeakPolarHBondContact O-CG 3.36Å; R102-E106 PolarHBondContact O-N 3.09Å; E106-D109 PolarHBondContact O-N 3.12Å; E106-I110 WeakPolarHBondContact O-CD1 3.37Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 2.9Å |
| 107 | H | 90.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.9 | 179.2 | 64.8 | 0 | 0 | 0 | 112.7 | E86 A103 I104 R105 G111 F161 S164 T165 I168 | E86-H107 IonicContact OE1-NE2 2.7Å; E86-H107 PolarHBondContact OE1-NE2 3.04Å; A103-H107 VanDerWaalsContact O-CB 3.23Å; A103-H107 WeakPolarHBondContact O-CB 3.47Å; A103-H107 PolarHBondContact O-N 2.82Å; I104-H107 WeakPolarHBondContact O-CB 3.32Å; I104-H107 PolarHBondContact O-N 3.42Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 3.34Å; H107-G111 PolarHBondContact O-N 2.9Å; H107-F161 AromaticContact CE1-CD2 3.53Å; H107-F161 AromaticContact CE1-CE1 3.93Å; H107-F161 AromaticContact CE1-CE2 3.16Å; H107-F161 WeakPolarHBondContact CE1-CE2 3.46Å; H107-F161 AromaticContact CE1-CZ 3.38Å; H107-F161 WeakPolarHBondContact CE1-CZ 3.5Å; H107-F161 AromaticContact ND1-CE2 3.95Å; H107-F161 AromaticContact NE2-CE2 3.53Å; H107-F161 AromaticContact NE2-CZ 3.58Å; H107-S164 PolarHBondContact ND1-OG 2.95Å; H107-T165 PolarHBondContact CE1-OG1 2.83Å; H107-I168 HydrophobicContact CB-CD1 3.44Å; H107-I168 VanDerWaalsContact CB-CD1 3.44Å |
| 108 | L | 89.9 | Confident | 87.6 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175 | -73 | 174.5 | 0 | 0 | 0 | 111.5 | E86 P89 I104 R105 G111 Q112 | E86-L108 HydrophobicContact CB-CD2 4.16Å; E86-L108 HydrophobicContact CG-CD2 4.36Å; E86-L108 WeakPolarHBondContact O-CD2 3.46Å; P89-L108 HydrophobicContact CB-CD1 3.83Å; P89-L108 HydrophobicContact CG-CD1 3.92Å; I104-L108 HydrophobicContact CG2-CD1 4.09Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.4Å; I104-L108 PolarHBondContact O-N 3.47Å; R105-L108 WeakPolarHBondContact O-CB 3.27Å; R105-L108 PolarHBondContact O-N 2.92Å; R105-L108 VanDerWaalsContact O-N 3.12Å; L108-G111 CarbonylContact O-C 3.6Å; L108-G111 WeakPolarHBondContact O-CA 3.22Å; L108-G111 PolarHBondContact O-N 3.19Å; L108-G111 VanDerWaalsContact O-N 3.16Å; L108-Q112 WeakPolarHBondContact O-CG 3.35Å; L108-Q112 PolarHBondContact O-N 3.01Å |
| 109 | D | 89.9 | Confident | 87.9 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.1 | -64.3 | -24.3 | 0 | 0 | 0 | 110.7 | R105 E106 G111 Q112 V113 | R105-D109 VanDerWaalsContact O-CG 3.26Å; R105-D109 PolarHBondContact O-N 3.45Å; E106-D109 PolarHBondContact O-N 3.12Å; D109-G111 VanDerWaalsContact C-N 3.29Å; D109-G111 PolarHBondContact O-N 3.21Å; D109-Q112 PolarHBondContact O-N 2.52Å; D109-V113 WeakPolarHBondContact O-CG2 3.35Å; D109-V113 PolarHBondContact O-N 3.24Å |
| 110 | I | 89.6 | Confident | 88 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.205 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 174 | -65.5 | 163.2 | 0 | 0 | 0 | 110.5 | E106 F114 Q160 F161 | E106-I110 WeakPolarHBondContact O-CD1 3.37Å; E106-I110 WeakPolarHBondContact O-CG1 3.37Å; E106-I110 PolarHBondContact O-N 2.9Å; I110-F114 WeakPolarHBondContact O-CB 3.4Å; I110-F114 PolarHBondContact O-N 3.42Å; I110-Q160 HydrophobicContact CG2-CB 4.17Å; I110-F161 HydrophobicContact CG2-CB 4.05Å; I110-F161 HydrophobicContact CG2-CD2 4.4Å |
| 111 | G | 87.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H107 L108 D109 F114 L115 | H107-G111 PolarHBondContact O-N 2.9Å; L108-G111 CarbonylContact O-C 3.6Å; L108-G111 WeakPolarHBondContact O-CA 3.22Å; L108-G111 PolarHBondContact O-N 3.19Å; L108-G111 VanDerWaalsContact O-N 3.16Å; D109-G111 VanDerWaalsContact C-N 3.29Å; D109-G111 PolarHBondContact O-N 3.21Å; G111-F114 PolarHBondContact O-N 3.15Å; G111-L115 WeakPolarHBondContact O-CB 3.36Å; G111-L115 VanDerWaalsContact O-CG 3.24Å; G111-L115 WeakPolarHBondContact O-CG 3.41Å; G111-L115 PolarHBondContact O-N 3.02Å |
| 112 | Q | 89.3 | Confident | 88.1 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -51.3 | 176.2 | -74.3 | 176.8 | 17 | 0 | 0 | 111 | L108 D109 F114 L115 E116 | L108-Q112 WeakPolarHBondContact O-CG 3.35Å; L108-Q112 PolarHBondContact O-N 3.01Å; D109-Q112 PolarHBondContact O-N 2.52Å; Q112-F114 VanDerWaalsContact C-N 3.26Å; Q112-F114 PolarHBondContact O-N 3.08Å; Q112-L115 PolarHBondContact O-N 2.99Å; Q112-E116 WeakPolarHBondContact O-CB 3.36Å; Q112-E116 WeakPolarHBondContact O-CG 3.47Å; Q112-E116 PolarHBondContact O-N 3.07Å |
| 113 | V | 89.3 | Confident | 88.1 | Confident | 75 Ų | 75 | 61 Ų | 61 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -39 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | D109 G117 L157 | D109-V113 WeakPolarHBondContact O-CG2 3.35Å; D109-V113 PolarHBondContact O-N 3.24Å; V113-G117 PolarHBondContact O-N 3Å; V113-L157 HydrophobicContact CG1-CD1 4.17Å; V113-L157 HydrophobicContact CG1-CD2 3.98Å |
| 114 | F | 88.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 23% | 0.228 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 177 | -179.7 | -115.6 | 0 | 0 | 0 | 112.3 | I110 G111 Q112 G117 A118 L154 L157 A158 | I110-F114 WeakPolarHBondContact O-CB 3.4Å; I110-F114 PolarHBondContact O-N 3.42Å; G111-F114 PolarHBondContact O-N 3.15Å; Q112-F114 VanDerWaalsContact C-N 3.26Å; Q112-F114 PolarHBondContact O-N 3.08Å; F114-G117 PolarHBondContact O-N 2.81Å; F114-A118 WeakPolarHBondContact O-CB 3.2Å; F114-A118 PolarHBondContact O-N 2.94Å; F114-L154 HydrophobicContact CD2-CD2 3.79Å; F114-L154 HydrophobicContact CE2-CD2 3.84Å; F114-L157 HydrophobicContact CB-CB 4.45Å; F114-L157 HydrophobicContact CD2-CB 3.72Å; F114-A158 HydrophobicContact CD2-CB 4.5Å; F114-A158 HydrophobicContact CE2-CB 3.65Å; F114-A158 HydrophobicContact CZ-CB 3.88Å |
| 115 | L | 88.8 | Confident | 87.6 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 59% | 0.592 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 177.6 | -75.4 | 171.9 | 0 | 0 | 0 | 112.2 | G111 Q112 A118 S119 | G111-L115 WeakPolarHBondContact O-CB 3.36Å; G111-L115 VanDerWaalsContact O-CG 3.24Å; G111-L115 WeakPolarHBondContact O-CG 3.41Å; G111-L115 PolarHBondContact O-N 3.02Å; Q112-L115 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.08Å; L115-S119 VanDerWaalsContact O-CB 3.31Å; L115-S119 WeakPolarHBondContact O-CB 3.26Å; L115-S119 PolarHBondContact O-N 2.82Å; L115-S119 PolarHBondContact O-OG 2.84Å |
| 116 | E | 88.5 | Confident | 87.3 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 173.4 | -74.4 | 177.4 | -175.8 | 0 | 0 | 110.7 | Q112 A118 S119 N120 | Q112-E116 WeakPolarHBondContact O-CB 3.36Å; Q112-E116 WeakPolarHBondContact O-CG 3.47Å; Q112-E116 PolarHBondContact O-N 3.07Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 2.89Å; E116-S119 PolarHBondContact O-N 3.37Å; E116-N120 VanDerWaalsContact O-CB 3.29Å; E116-N120 WeakPolarHBondContact O-CB 3.23Å; E116-N120 PolarHBondContact O-N 2.84Å; E116-N120 PolarHBondContact O-ND2 3.39Å |
| 117 | G | 86.3 | Confident | 87 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V113 F114 L121 | V113-G117 PolarHBondContact O-N 3Å; F114-G117 PolarHBondContact O-N 2.81Å; G117-L121 WeakPolarHBondContact O-CB 3.24Å; G117-L121 PolarHBondContact O-N 2.94Å |
| 118 | A | 86.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F114 L115 E116 L121 Q122 L154 | F114-A118 WeakPolarHBondContact O-CB 3.2Å; F114-A118 PolarHBondContact O-N 2.94Å; L115-A118 PolarHBondContact O-N 3.08Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 2.89Å; A118-L121 PolarHBondContact O-N 3.5Å; A118-Q122 WeakPolarHBondContact O-CB 3.44Å; A118-Q122 PolarHBondContact O-N 3.33Å; A118-L154 HydrophobicContact CB-CD2 4.44Å |
| 119 | S | 87.6 | Confident | 85.9 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | L115 E116 L121 Q122 E123 | L115-S119 VanDerWaalsContact O-CB 3.31Å; L115-S119 WeakPolarHBondContact O-CB 3.26Å; L115-S119 PolarHBondContact O-N 2.82Å; L115-S119 PolarHBondContact O-OG 2.84Å; E116-S119 PolarHBondContact O-N 3.37Å; S119-L121 PolarHBondContact O-N 3.06Å; S119-Q122 PolarHBondContact O-N 2.9Å; S119-E123 PolarHBondContact O-N 3.13Å |
| 120 | N | 86.3 | Confident | 85.3 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 173 | -77.4 | -44.9 | 0 | 0 | 0 | 111.1 | E116 Q122 E123 K124 | E116-N120 VanDerWaalsContact O-CB 3.29Å; E116-N120 WeakPolarHBondContact O-CB 3.23Å; E116-N120 PolarHBondContact O-N 2.84Å; E116-N120 PolarHBondContact O-ND2 3.39Å; N120-Q122 VanDerWaalsContact C-N 3.31Å; N120-Q122 PolarHBondContact O-N 2.93Å; N120-E123 PolarHBondContact O-N 2.87Å; N120-K124 WeakPolarHBondContact O-CG 3.4Å; N120-K124 PolarHBondContact O-N 3.41Å |
| 121 | L | 86.7 | Confident | 84.3 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.2 | 176.6 | 66.2 | 0 | 0 | 0 | 111.5 | G117 A118 S119 K124 Q125 I147 K151 L154 | G117-L121 WeakPolarHBondContact O-CB 3.24Å; G117-L121 PolarHBondContact O-N 2.94Å; A118-L121 PolarHBondContact O-N 3.5Å; S119-L121 PolarHBondContact O-N 3.06Å; L121-K124 PolarHBondContact O-N 2.85Å; L121-Q125 WeakPolarHBondContact O-CB 3.49Å; L121-Q125 PolarHBondContact O-N 3.48Å; L121-I147 HydrophobicContact CD1-CB 4.46Å; L121-I147 HydrophobicContact CD1-CG2 3.83Å; L121-K151 HydrophobicContact CD1-CG 3.82Å; L121-K151 HydrophobicContact CD2-CG 3.56Å; L121-K151 HydrophobicContact CG-CG 4.36Å; L121-L154 HydrophobicContact CB-CD1 3.79Å; L121-L154 HydrophobicContact CD2-CD1 3.44Å; L121-L154 VanDerWaalsContact CD2-CD1 3.44Å; L121-L154 HydrophobicContact CG-CD1 4.18Å |
| 122 | Q | 86.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 80.4 Ų | 80.4 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 180 | -170.6 | 179.5 | 12.8 | 0 | 0 | 111.9 | A118 S119 N120 Q125 K126 | A118-Q122 WeakPolarHBondContact O-CB 3.44Å; A118-Q122 PolarHBondContact O-N 3.33Å; S119-Q122 PolarHBondContact O-N 2.9Å; N120-Q122 VanDerWaalsContact C-N 3.31Å; N120-Q122 PolarHBondContact O-N 2.93Å; Q122-Q125 PolarHBondContact O-N 2.95Å; Q122-K126 WeakPolarHBondContact O-CG 3.48Å; Q122-K126 PolarHBondContact O-N 2.87Å |
| 123 | E | 85.4 | Confident | 81.9 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 173.4 | -84.2 | -170 | 161.5 | 0 | 0 | 112 | S119 N120 Q125 K126 L127 | S119-E123 PolarHBondContact O-N 3.13Å; N120-E123 PolarHBondContact O-N 2.87Å; E123-Q125 VanDerWaalsContact C-N 3.27Å; E123-Q125 PolarHBondContact O-N 3.43Å; E123-K126 PolarHBondContact O-N 3.43Å; E123-L127 WeakPolarHBondContact O-CB 3.4Å; E123-L127 WeakPolarHBondContact O-CD1 3.34Å; E123-L127 WeakPolarHBondContact O-CG 3.43Å; E123-L127 PolarHBondContact O-N 2.9Å |
| 124 | K | 82.5 | Confident | 80.6 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 178 | -63.8 | -68.7 | 178.7 | -177 | 0 | 111.4 | N120 L121 L128 I147 | N120-K124 WeakPolarHBondContact O-CG 3.4Å; N120-K124 PolarHBondContact O-N 3.41Å; L121-K124 PolarHBondContact O-N 2.85Å; K124-L128 PolarHBondContact O-N 3.18Å; K124-L128 VanDerWaalsContact O-N 3.07Å; K124-I147 HydrophobicContact CB-CG1 4.01Å |
| 125 | Q | 82.9 | Confident | 79.4 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 177.3 | -172.1 | 168.8 | -13.4 | 0 | 0 | 111.9 | L121 Q122 E123 L128 E129 | L121-Q125 WeakPolarHBondContact O-CB 3.49Å; L121-Q125 PolarHBondContact O-N 3.48Å; Q122-Q125 PolarHBondContact O-N 2.95Å; E123-Q125 VanDerWaalsContact C-N 3.27Å; E123-Q125 PolarHBondContact O-N 3.43Å; Q125-L128 WeakPolarHBondContact O-CB 3.02Å; Q125-L128 PolarHBondContact O-N 3.44Å; Q125-E129 WeakPolarHBondContact O-CG 3.25Å; Q125-E129 PolarHBondContact O-N 3.16Å |
| 126 | K | 83.1 | Confident | 78.6 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 46% | 0.457 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 173.5 | -74 | 179 | 179.3 | 179.3 | 0 | 112.2 | Q122 E123 L128 E129 E130 | Q122-K126 WeakPolarHBondContact O-CG 3.48Å; Q122-K126 PolarHBondContact O-N 2.87Å; E123-K126 PolarHBondContact O-N 3.43Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-L128 PolarHBondContact O-N 3.01Å; K126-E129 PolarHBondContact O-N 3.03Å; K126-E130 WeakPolarHBondContact O-CG 3.41Å; K126-E130 PolarHBondContact O-N 3.31Å |
| 127 | L | 81.1 | Confident | 77.5 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 176.5 | -79.2 | 163.8 | 0 | 0 | 0 | 112.8 | E123 K131 | E123-L127 WeakPolarHBondContact O-CB 3.4Å; E123-L127 WeakPolarHBondContact O-CD1 3.34Å; E123-L127 WeakPolarHBondContact O-CG 3.43Å; E123-L127 PolarHBondContact O-N 2.9Å; L127-K131 WeakPolarHBondContact O-CB 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.17Å |
| 128 | L | 79.7 | Confident | 76.8 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 5% | 0.047 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 173.1 | -174.5 | 79.1 | 0 | 0 | 0 | 110.2 | K124 Q125 K126 E130 K132 W139 R143 L144 I147 | K124-L128 PolarHBondContact O-N 3.18Å; K124-L128 VanDerWaalsContact O-N 3.07Å; Q125-L128 WeakPolarHBondContact O-CB 3.02Å; Q125-L128 PolarHBondContact O-N 3.44Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-L128 PolarHBondContact O-N 3.01Å; L128-E130 PolarHBondContact O-N 2.91Å; L128-K132 HydrophobicContact CG-CG 4.43Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.24Å; L128-K132 WeakPolarHBondContact O-CG 3.4Å; L128-K132 PolarHBondContact O-N 3.31Å; L128-K132 VanDerWaalsContact O-N 3.15Å; L128-W139 HydrophobicContact CD1-CZ3 4.44Å; L128-R143 HydrophobicContact CD1-CB 3.89Å; L128-R143 HydrophobicContact CD1-CG 3.8Å; L128-L144 HydrophobicContact CD2-CD1 4.05Å; L128-I147 HydrophobicContact CB-CD1 3.95Å; L128-I147 HydrophobicContact CD2-CD1 3.77Å; L128-I147 HydrophobicContact CG-CD1 4.34Å |
| 129 | E | 77.2 | Confident | 76.1 | Confident | 113 Ų | 113 | 91.3 Ų | 91.3 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 178.1 | -73.2 | 170.2 | -171.4 | 0 | 0 | 112.9 | Q125 K126 | Q125-E129 WeakPolarHBondContact O-CG 3.25Å; Q125-E129 PolarHBondContact O-N 3.16Å; K126-E129 PolarHBondContact O-N 3.03Å |
| 130 | E | 77.8 | Confident | 75.4 | Confident | 141 Ų | 141 | 89.7 Ų | 89.7 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -74.4 | -39.4 | 179.9 | -71.5 | 170.1 | -178.7 | 0 | 0 | 113.6 | K126 L128 | K126-E130 WeakPolarHBondContact O-CG 3.41Å; K126-E130 PolarHBondContact O-N 3.31Å; L128-E130 PolarHBondContact O-N 2.91Å |
| 131 | K | 69.3 | Low | 74.9 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -95.1 | -0.5 | -174.9 | -65.6 | -173.8 | 176 | -175 | 0 | 114.4 | L127 A133 A135 W139 | L127-K131 WeakPolarHBondContact O-CB 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.17Å; K131-A133 PolarHBondContact O-N 2.89Å; K131-A135 VanDerWaalsContact O-CB 3.22Å; K131-A135 WeakPolarHBondContact O-CB 3.34Å; K131-A135 PolarHBondContact O-N 2.67Å; K131-W139 HydrophobicContact CB-CH2 3.69Å; K131-W139 HydrophobicContact CB-CZ3 4.02Å; K131-W139 HydrophobicContact CD-CH2 4.02Å; K131-W139 HydrophobicContact CD-CZ2 4.3Å; K131-W139 HydrophobicContact CG-CH2 4.47Å |
| 132 | K | 63.1 | Low | 74.5 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.4 | 179.7 | -105.1 | 171.8 | -158 | -174.1 | 0 | 114.1 | L128 | L128-K132 HydrophobicContact CG-CG 4.43Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.24Å; L128-K132 WeakPolarHBondContact O-CG 3.4Å; L128-K132 PolarHBondContact O-N 3.31Å; L128-K132 VanDerWaalsContact O-N 3.15Å |
| 133 | A | 62 | Low | 74.1 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -34 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K131 | K131-A133 PolarHBondContact O-N 2.89Š|
| 134 | D | 61.7 | Low | 73.9 | Confident | 165 Ų | 165 | 94.8 Ų | 94.8 | 88% | 0.882 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 8.5 | -171.4 | -61.1 | -38.7 | 0 | 0 | 0 | 113.6 | ||
| 135 | A | 64.3 | Low | 73.8 | Confident | 33 Ų | 33 | 98 Ų | 98 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | trans | -101.1 | 145 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | K131 W139 | K131-A135 VanDerWaalsContact O-CB 3.22Å; K131-A135 WeakPolarHBondContact O-CB 3.34Å; K131-A135 PolarHBondContact O-N 2.67Å; A135-W139 HydrophobicContact CB-CD2 4.1Å; A135-W139 HydrophobicContact CB-CE3 3.37Å; A135-W139 HydrophobicContact CB-CZ3 3.74Å | ||
| 136 | E | 72.1 | Confident | 73.8 | Confident | 155 Ų | 155 | 96.1 Ų | 96.1 | 72% | 0.724 | 49% | 0.485 | S | S | * | . | trans | -61 | 144.5 | 173.2 | -69.6 | -177.3 | 169 | 0 | 0 | 112.1 | A138 W139 C140 | E136-A138 PolarHBondContact O-N 3.48Å; E136-W139 HydrophobicContact CB-CB 4.45Å; E136-W139 WeakPolarHBondContact O-CB 3.42Å; E136-W139 PolarHBondContact O-N 3.3Å; E136-C140 PolarHBondContact O-N 3.16Å; E136-C140 VanDerWaalsContact O-N 3.08Å | ||
| 137 | E | 66 | Low | 73.8 | Confident | 135 Ų | 135 | 91.4 Ų | 91.4 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.7 | -33.5 | -176.4 | -160 | -176.5 | 161.7 | 0 | 0 | 112.7 | C140 R141 | E137-C140 PolarHBondContact O-N 2.85Å; E137-R141 WeakPolarHBondContact O-CG 3.26Å; E137-R141 PolarHBondContact O-N 2.82Å; E137-R141 IonicContact OE1-CZ 3.55Å; E137-R141 IonicContact OE1-NE 3.62Å; E137-R141 IonicContact OE1-NH2 2.7Å; E137-R141 PolarHBondContact OE1-NH2 3.32Å |
| 138 | A | 70.3 | Confident | 73.9 | Confident | 71 Ų | 71 | 93.4 Ų | 93.4 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E136 R141 D142 | E136-A138 PolarHBondContact O-N 3.48Å; A138-R141 PolarHBondContact O-N 3.08Å; A138-D142 PolarHBondContact O-N 3.41Å; A138-D142 VanDerWaalsContact O-N 3.08Å |
| 139 | W | 72.5 | Confident | 74.1 | Confident | 100 Ų | 100 | 98 Ų | 98 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.7 | -177.2 | 91.9 | 0 | 0 | 0 | 111.5 | L128 K131 A135 E136 R143 | L128-W139 HydrophobicContact CD1-CZ3 4.44Å; K131-W139 HydrophobicContact CB-CH2 3.69Å; K131-W139 HydrophobicContact CB-CZ3 4.02Å; K131-W139 HydrophobicContact CD-CH2 4.02Å; K131-W139 HydrophobicContact CD-CZ2 4.3Å; K131-W139 HydrophobicContact CG-CH2 4.47Å; A135-W139 HydrophobicContact CB-CD2 4.1Å; A135-W139 HydrophobicContact CB-CE3 3.37Å; A135-W139 HydrophobicContact CB-CZ3 3.74Å; E136-W139 HydrophobicContact CB-CB 4.45Å; E136-W139 WeakPolarHBondContact O-CB 3.42Å; E136-W139 PolarHBondContact O-N 3.3Å; W139-R143 WeakPolarHBondContact O-CB 3.35Å; W139-R143 PolarHBondContact O-N 3.41Å |
| 140 | C | 72.3 | Confident | 74.3 | Confident | 30 Ų | 30 | 96.5 Ų | 96.5 | 20% | 0.203 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175 | -75.4 | 0 | 0 | 0 | 0 | 112.2 | E136 E137 L144 | E136-C140 PolarHBondContact O-N 3.16Å; E136-C140 VanDerWaalsContact O-N 3.08Å; E137-C140 PolarHBondContact O-N 2.85Å; C140-L144 WeakPolarHBondContact O-CB 3.48Å; C140-L144 PolarHBondContact O-N 2.91Å |
| 141 | R | 76.2 | Confident | 74.6 | Confident | 165 Ų | 165 | 94.7 Ų | 94.7 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | 178.5 | -71.6 | 178.8 | -168.4 | -171.1 | 4.9 | 112.5 | E137 A138 R143 L144 M145 | E137-R141 WeakPolarHBondContact O-CG 3.26Å; E137-R141 PolarHBondContact O-N 2.82Å; E137-R141 IonicContact OE1-CZ 3.55Å; E137-R141 IonicContact OE1-NE 3.62Å; E137-R141 IonicContact OE1-NH2 2.7Å; E137-R141 PolarHBondContact OE1-NH2 3.32Å; A138-R141 PolarHBondContact O-N 3.08Å; R141-R143 PolarHBondContact O-N 2.84Å; R141-L144 PolarHBondContact O-N 2.9Å; R141-M145 PolarHBondContact O-N 3.41Å |
| 142 | D | 78.3 | Confident | 75.3 | Confident | 124 Ų | 124 | 92 Ų | 92 | 66% | 0.663 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 178.4 | -172.1 | 54 | 0 | 0 | 0 | 112 | A138 M145 S146 | A138-D142 PolarHBondContact O-N 3.41Å; A138-D142 VanDerWaalsContact O-N 3.08Å; D142-M145 PolarHBondContact O-N 3.09Å; D142-S146 PolarHBondContact O-N 3.05Å |
| 143 | R | 78.6 | Confident | 76.3 | Confident | 57 Ų | 57 | 90.8 Ų | 90.8 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.9 | -35 | 176.8 | -167.5 | 57.8 | 162.1 | -142.5 | -12.7 | 113.1 | L128 W139 R141 S146 I147 | L128-R143 HydrophobicContact CD1-CB 3.89Å; L128-R143 HydrophobicContact CD1-CG 3.8Å; W139-R143 WeakPolarHBondContact O-CB 3.35Å; W139-R143 PolarHBondContact O-N 3.41Å; R141-R143 PolarHBondContact O-N 2.84Å; R143-S146 PolarHBondContact O-N 2.95Å; R143-I147 HydrophobicContact CG-CD1 4.5Å; R143-I147 WeakPolarHBondContact O-CG1 3.38Å; R143-I147 PolarHBondContact O-N 3.27Å |
| 144 | L | 80.6 | Confident | 77.5 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 172.9 | -161.6 | 92.8 | 0 | 0 | 0 | 110.8 | L128 C140 R141 S146 I147 E148 | L128-L144 HydrophobicContact CD2-CD1 4.05Å; C140-L144 WeakPolarHBondContact O-CB 3.48Å; C140-L144 PolarHBondContact O-N 2.91Å; R141-L144 PolarHBondContact O-N 2.9Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.86Å; L144-I147 WeakPolarHBondContact O-CB 3.38Å; L144-I147 PolarHBondContact O-N 3.33Å; L144-I147 VanDerWaalsContact O-N 3.14Å; L144-E148 WeakPolarHBondContact O-CG 3.49Å; L144-E148 PolarHBondContact O-N 3.01Å |
| 145 | M | 81.5 | Confident | 78.6 | Confident | 120 Ų | 120 | 88 Ų | 88 | 59% | 0.591 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 176.1 | -170.5 | 59.4 | 65 | 0 | 0 | 111.6 | R141 D142 E148 L149 | R141-M145 PolarHBondContact O-N 3.41Å; D142-M145 PolarHBondContact O-N 3.09Å; M145-E148 PolarHBondContact O-N 3.41Å; M145-L149 WeakPolarHBondContact O-CB 3.38Å; M145-L149 PolarHBondContact O-N 3.32Å |
| 146 | S | 81.8 | Confident | 79.7 | Confident | 36 Ų | 36 | 89.5 Ų | 89.5 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | D142 R143 L144 E148 L149 Y150 | D142-S146 PolarHBondContact O-N 3.05Å; R143-S146 PolarHBondContact O-N 2.95Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 2.86Å; S146-E148 VanDerWaalsContact C-N 3.34Å; S146-E148 PolarHBondContact O-N 2.92Å; S146-L149 WeakPolarHBondContact O-CB 3.29Å; S146-L149 PolarHBondContact O-N 3.12Å; S146-Y150 WeakPolarHBondContact O-CD2 3.37Å; S146-Y150 PolarHBondContact O-N 3.33Å |
| 147 | I | 83.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 83.9 Ų | 83.9 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.7 | -74.5 | 166 | 0 | 0 | 0 | 111.3 | L121 K124 L128 R143 L144 L149 Y150 K151 | L121-I147 HydrophobicContact CD1-CB 4.46Å; L121-I147 HydrophobicContact CD1-CG2 3.83Å; K124-I147 HydrophobicContact CB-CG1 4.01Å; L128-I147 HydrophobicContact CB-CD1 3.95Å; L128-I147 HydrophobicContact CD2-CD1 3.77Å; L128-I147 HydrophobicContact CG-CD1 4.34Å; R143-I147 HydrophobicContact CG-CD1 4.5Å; R143-I147 WeakPolarHBondContact O-CG1 3.38Å; R143-I147 PolarHBondContact O-N 3.27Å; L144-I147 WeakPolarHBondContact O-CB 3.38Å; L144-I147 PolarHBondContact O-N 3.33Å; L144-I147 VanDerWaalsContact O-N 3.14Å; I147-L149 VanDerWaalsContact C-N 3.35Å; I147-Y150 PolarHBondContact O-N 2.7Å; I147-K151 HydrophobicContact CG2-CD 4.29Å; I147-K151 WeakPolarHBondContact O-CG 3.33Å; I147-K151 PolarHBondContact O-N 2.98Å |
| 148 | E | 83.3 | Confident | 81.4 | Confident | 99 Ų | 99 | 79 Ų | 79 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.1 | -73.4 | 177.8 | 172.7 | 0 | 0 | 112 | L144 M145 S146 K151 A152 | L144-E148 WeakPolarHBondContact O-CG 3.49Å; L144-E148 PolarHBondContact O-N 3.01Å; M145-E148 PolarHBondContact O-N 3.41Å; S146-E148 VanDerWaalsContact C-N 3.34Å; S146-E148 PolarHBondContact O-N 2.92Å; E148-K151 WeakPolarHBondContact O-CB 3.3Å; E148-K151 PolarHBondContact O-N 3.39Å; E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.4Å |
| 149 | L | 83.9 | Confident | 82.3 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 55% | 0.55 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.3 | -165.8 | 99.7 | 0 | 0 | 0 | 111.9 | M145 S146 I147 K151 A152 N153 | M145-L149 WeakPolarHBondContact O-CB 3.38Å; M145-L149 PolarHBondContact O-N 3.32Å; S146-L149 WeakPolarHBondContact O-CB 3.29Å; S146-L149 PolarHBondContact O-N 3.12Å; I147-L149 VanDerWaalsContact C-N 3.35Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.38Å; L149-A152 PolarHBondContact O-N 3.05Å; L149-N153 VanDerWaalsContact O-CG 3.23Å; L149-N153 PolarHBondContact O-N 3.07Å; L149-N153 PolarHBondContact O-ND2 3.34Å |
| 150 | Y | 81.6 | Confident | 83.1 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.2 | -85.8 | -79.4 | 0 | 0 | 0 | 112.1 | S146 I147 N153 L154 | S146-Y150 WeakPolarHBondContact O-CD2 3.37Å; S146-Y150 PolarHBondContact O-N 3.33Å; I147-Y150 PolarHBondContact O-N 2.7Å; Y150-N153 PolarHBondContact O-N 3.19Å; Y150-L154 WeakPolarHBondContact O-CB 3.49Å; Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 3.1Å |
| 151 | K | 83.7 | Confident | 83.9 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 173.3 | -75.6 | 175.6 | 179.9 | -179.9 | 0 | 112 | L121 I147 E148 L149 N153 L154 W155 | L121-K151 HydrophobicContact CD1-CG 3.82Å; L121-K151 HydrophobicContact CD2-CG 3.56Å; L121-K151 HydrophobicContact CG-CG 4.36Å; I147-K151 HydrophobicContact CG2-CD 4.29Å; I147-K151 WeakPolarHBondContact O-CG 3.33Å; I147-K151 PolarHBondContact O-N 2.98Å; E148-K151 WeakPolarHBondContact O-CB 3.3Å; E148-K151 PolarHBondContact O-N 3.39Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.38Å; K151-N153 VanDerWaalsContact C-N 3.31Å; K151-N153 PolarHBondContact O-N 3.33Å; K151-L154 PolarHBondContact O-N 3.47Å; K151-W155 PolarHBondContact O-N 2.94Å |
| 152 | A | 85.1 | Confident | 84.5 | Confident | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E148 L149 W155 P156 | E148-A152 WeakPolarHBondContact O-CB 3.45Å; E148-A152 PolarHBondContact O-N 3.4Å; L149-A152 PolarHBondContact O-N 3.05Å; A152-W155 PolarHBondContact O-N 3.47Å; A152-P156 WeakPolarHBondContact O-CD 3.4Å |
| 153 | N | 83.6 | Confident | 85 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.1 | -27.4 | 177.8 | -67.1 | -21.8 | 0 | 0 | 0 | 113.5 | L149 Y150 K151 W155 P156 | L149-N153 VanDerWaalsContact O-CG 3.23Å; L149-N153 PolarHBondContact O-N 3.07Å; L149-N153 PolarHBondContact O-ND2 3.34Å; Y150-N153 PolarHBondContact O-N 3.19Å; K151-N153 VanDerWaalsContact C-N 3.31Å; K151-N153 PolarHBondContact O-N 3.33Å; N153-W155 VanDerWaalsContact C-N 3.33Å; N153-P156 WeakPolarHBondContact O-CD 3.2Å |
| 154 | L | 86.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.7 | -26.7 | 174.7 | -83.4 | 166.6 | 0 | 0 | 0 | 113.4 | F114 A118 L121 Y150 K151 L157 A158 | F114-L154 HydrophobicContact CD2-CD2 3.79Å; F114-L154 HydrophobicContact CE2-CD2 3.84Å; A118-L154 HydrophobicContact CB-CD2 4.44Å; L121-L154 HydrophobicContact CB-CD1 3.79Å; L121-L154 HydrophobicContact CD2-CD1 3.44Å; L121-L154 VanDerWaalsContact CD2-CD1 3.44Å; L121-L154 HydrophobicContact CG-CD1 4.18Å; Y150-L154 WeakPolarHBondContact O-CB 3.49Å; Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 3.1Å; K151-L154 PolarHBondContact O-N 3.47Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 PolarHBondContact O-N 3.45Å; L154-A158 PolarHBondContact O-N 3.06Å |
| 155 | W | 85.3 | Confident | 86 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.1 | -48 | -176.9 | -171.7 | -96.9 | 0 | 0 | 0 | 113.2 | K151 A152 N153 L157 A158 H159 | K151-W155 PolarHBondContact O-N 2.94Å; A152-W155 PolarHBondContact O-N 3.47Å; N153-W155 VanDerWaalsContact C-N 3.33Å; W155-L157 VanDerWaalsContact C-N 3.29Å; W155-L157 PolarHBondContact O-N 2.65Å; W155-A158 PolarHBondContact O-N 3.45Å; W155-H159 AromaticContact CD1-CD2 3.55Å; W155-H159 AromaticContact CD1-NE2 3.81Å; W155-H159 AromaticContact CE2-CD2 3.81Å; W155-H159 AromaticContact CE2-NE2 3.39Å; W155-H159 AromaticContact CZ2-NE2 3.67Å; W155-H159 AromaticContact NE1-CD2 3.27Å; W155-H159 PolarHBondContact NE1-CD2 2.8Å; W155-H159 VanDerWaalsContact NE1-CD2 3.27Å; W155-H159 AromaticContact NE1-NE2 3Å; W155-H159 PolarHBondContact NE1-NE2 3.5Å; W155-H159 PolarHBondContact O-CD2 2.79Å; W155-H159 PolarHBondContact O-N 2.98Å; W155-H159 VanDerWaalsContact O-N 3.08Å |
| 156 | P | 88.3 | Confident | 86.3 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 169.6 | -26.1 | 33.7 | 0 | 0 | 0 | 113.4 | A152 N153 H159 Q160 | A152-P156 WeakPolarHBondContact O-CD 3.4Å; N153-P156 WeakPolarHBondContact O-CD 3.2Å; P156-H159 WeakPolarHBondContact O-CB 3.22Å; P156-H159 PolarHBondContact O-N 3.15Å; P156-Q160 VanDerWaalsContact O-CG 3.3Å; P156-Q160 WeakPolarHBondContact O-CG 3.31Å; P156-Q160 PolarHBondContact O-N 3.32Å |
| 157 | L | 86.3 | Confident | 86.6 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 179.1 | -69.6 | 168.8 | 0 | 0 | 0 | 111.9 | V113 F114 L154 W155 H159 Q160 F161 | V113-L157 HydrophobicContact CG1-CD1 4.17Å; V113-L157 HydrophobicContact CG1-CD2 3.98Å; F114-L157 HydrophobicContact CB-CB 4.45Å; F114-L157 HydrophobicContact CD2-CB 3.72Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 PolarHBondContact O-N 3.45Å; W155-L157 VanDerWaalsContact C-N 3.29Å; W155-L157 PolarHBondContact O-N 2.65Å; L157-H159 VanDerWaalsContact C-N 3.28Å; L157-H159 PolarHBondContact O-N 3.05Å; L157-Q160 PolarHBondContact O-N 3.07Å; L157-F161 WeakPolarHBondContact O-CB 3.41Å; L157-F161 PolarHBondContact O-N 2.92Å |
| 158 | A | 87.1 | Confident | 86.7 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 28% | 0.281 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F114 L154 W155 R162 | F114-A158 HydrophobicContact CD2-CB 4.5Å; F114-A158 HydrophobicContact CE2-CB 3.65Å; F114-A158 HydrophobicContact CZ-CB 3.88Å; L154-A158 PolarHBondContact O-N 3.06Å; W155-A158 PolarHBondContact O-N 3.45Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.21Å |
| 159 | H | 88.6 | Confident | 86.9 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 174.4 | -87.4 | -65.5 | 0 | 0 | 0 | 112.2 | W155 P156 L157 F161 R162 D163 | W155-H159 AromaticContact CD1-CD2 3.55Å; W155-H159 AromaticContact CD1-NE2 3.81Å; W155-H159 AromaticContact CE2-CD2 3.81Å; W155-H159 AromaticContact CE2-NE2 3.39Å; W155-H159 AromaticContact CZ2-NE2 3.67Å; W155-H159 AromaticContact NE1-CD2 3.27Å; W155-H159 PolarHBondContact NE1-CD2 2.8Å; W155-H159 VanDerWaalsContact NE1-CD2 3.27Å; W155-H159 AromaticContact NE1-NE2 3Å; W155-H159 PolarHBondContact NE1-NE2 3.5Å; W155-H159 PolarHBondContact O-CD2 2.79Å; W155-H159 PolarHBondContact O-N 2.98Å; W155-H159 VanDerWaalsContact O-N 3.08Å; P156-H159 WeakPolarHBondContact O-CB 3.22Å; P156-H159 PolarHBondContact O-N 3.15Å; L157-H159 VanDerWaalsContact C-N 3.28Å; L157-H159 PolarHBondContact O-N 3.05Å; H159-F161 VanDerWaalsContact C-N 3.35Å; H159-R162 PolarHBondContact CE1-NH1 3.27Å; H159-R162 PolarHBondContact ND1-NH1 3.5Å; H159-R162 PolarHBondContact ND1-NH2 3.17Å; H159-R162 PolarHBondContact O-N 2.99Å; H159-D163 WeakPolarHBondContact O-CB 3.34Å; H159-D163 VanDerWaalsContact O-CG 3.24Å; H159-D163 PolarHBondContact O-N 2.96Å |
| 160 | Q | 88.6 | Confident | 87 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.6 | -71.7 | 174.8 | 27.4 | 0 | 0 | 112 | I110 P156 L157 D163 S164 | I110-Q160 HydrophobicContact CG2-CB 4.17Å; P156-Q160 VanDerWaalsContact O-CG 3.3Å; P156-Q160 WeakPolarHBondContact O-CG 3.31Å; P156-Q160 PolarHBondContact O-N 3.32Å; L157-Q160 PolarHBondContact O-N 3.07Å; Q160-D163 PolarHBondContact O-N 3.4Å; Q160-S164 WeakPolarHBondContact O-CB 3.29Å; Q160-S164 PolarHBondContact O-N 3.35Å; Q160-S164 PolarHBondContact O-OG 3.36Å |
| 161 | F | 88.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 22% | 0.219 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.2 | -175.7 | -95.4 | 0 | 0 | 0 | 110.9 | H107 I110 L157 H159 D163 S164 T165 | H107-F161 AromaticContact CE1-CD2 3.53Å; H107-F161 AromaticContact CE1-CE1 3.93Å; H107-F161 AromaticContact CE1-CE2 3.16Å; H107-F161 WeakPolarHBondContact CE1-CE2 3.46Å; H107-F161 AromaticContact CE1-CZ 3.38Å; H107-F161 WeakPolarHBondContact CE1-CZ 3.5Å; H107-F161 AromaticContact ND1-CE2 3.95Å; H107-F161 AromaticContact NE2-CE2 3.53Å; H107-F161 AromaticContact NE2-CZ 3.58Å; I110-F161 HydrophobicContact CG2-CB 4.05Å; I110-F161 HydrophobicContact CG2-CD2 4.4Å; L157-F161 WeakPolarHBondContact O-CB 3.41Å; L157-F161 PolarHBondContact O-N 2.92Å; H159-F161 VanDerWaalsContact C-N 3.35Å; F161-D163 VanDerWaalsContact C-N 3.33Å; F161-D163 PolarHBondContact O-N 3.19Å; F161-S164 WeakPolarHBondContact CA-OG 3.08Å; F161-S164 PolarHBondContact O-N 3.35Å; F161-S164 PolarHBondContact O-OG 3.35Å; F161-T165 PolarHBondContact O-N 3.38Å; F161-T165 PolarHBondContact O-OG1 3.35Å |
| 162 | R | 89.2 | Confident | 87.1 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -42 | 177.2 | -176.9 | -165 | 69.3 | -171.4 | -1.5 | 112.3 | A158 H159 T165 K166 | A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.21Å; H159-R162 PolarHBondContact CE1-NH1 3.27Å; H159-R162 PolarHBondContact ND1-NH1 3.5Å; H159-R162 PolarHBondContact ND1-NH2 3.17Å; H159-R162 PolarHBondContact O-N 2.99Å; R162-T165 PolarHBondContact O-N 2.89Å; R162-K166 WeakPolarHBondContact O-CG 3.16Å; R162-K166 PolarHBondContact O-N 3.31Å |
| 163 | D | 90.2 | Very high | 86.9 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.5 | -28.7 | -176 | -65.5 | -21.8 | 0 | 0 | 0 | 111.7 | H159 Q160 F161 K166 A167 | H159-D163 WeakPolarHBondContact O-CB 3.34Å; H159-D163 VanDerWaalsContact O-CG 3.24Å; H159-D163 PolarHBondContact O-N 2.96Å; Q160-D163 PolarHBondContact O-N 3.4Å; F161-D163 VanDerWaalsContact C-N 3.33Å; F161-D163 PolarHBondContact O-N 3.19Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 IonicContact OD1-NZ 3.08Å; D163-K166 PolarHBondContact OD1-NZ 2.93Å; D163-K166 VanDerWaalsContact OD1-NZ 3.08Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.47Å |
| 164 | S | 89.6 | Confident | 86.9 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 167.1 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | H107 Q160 F161 K166 A167 I168 | H107-S164 PolarHBondContact ND1-OG 2.95Å; Q160-S164 WeakPolarHBondContact O-CB 3.29Å; Q160-S164 PolarHBondContact O-N 3.35Å; Q160-S164 PolarHBondContact O-OG 3.36Å; F161-S164 WeakPolarHBondContact CA-OG 3.08Å; F161-S164 PolarHBondContact O-N 3.35Å; F161-S164 PolarHBondContact O-OG 3.35Å; S164-K166 VanDerWaalsContact C-N 3.28Å; S164-K166 PolarHBondContact O-N 3.34Å; S164-A167 WeakPolarHBondContact O-CB 3.41Å; S164-A167 PolarHBondContact O-N 2.94Å; S164-I168 WeakPolarHBondContact O-CG1 3.45Å; S164-I168 PolarHBondContact O-N 2.85Å |
| 165 | T | 89 | Confident | 86.6 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 169.7 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | M82 H107 F161 R162 A167 I168 L169 | M82-T165 HydrophobicContact CE-CG2 4.32Å; M82-T165 HydrophobicContact CG-CG2 4.22Å; H107-T165 PolarHBondContact CE1-OG1 2.83Å; F161-T165 PolarHBondContact O-N 3.38Å; F161-T165 PolarHBondContact O-OG1 3.35Å; R162-T165 PolarHBondContact O-N 2.89Å; T165-A167 PolarHBondContact O-N 3.39Å; T165-I168 PolarHBondContact O-N 3.19Å; T165-L169 HydrophobicContact CG2-CD1 4.01Å; T165-L169 HydrophobicContact CG2-CG 4.42Å; T165-L169 WeakPolarHBondContact O-CB 3.33Å; T165-L169 VanDerWaalsContact O-CG 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.19Å; T165-L169 PolarHBondContact O-N 2.86Å |
| 166 | K | 88.9 | Confident | 86.2 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 175.4 | -71.9 | 171.9 | -171.3 | 162.9 | 0 | 112.4 | R162 D163 S164 L169 R170 | R162-K166 WeakPolarHBondContact O-CG 3.16Å; R162-K166 PolarHBondContact O-N 3.31Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 IonicContact OD1-NZ 3.08Å; D163-K166 PolarHBondContact OD1-NZ 2.93Å; D163-K166 VanDerWaalsContact OD1-NZ 3.08Å; S164-K166 VanDerWaalsContact C-N 3.28Å; S164-K166 PolarHBondContact O-N 3.34Å; K166-L169 PolarHBondContact O-N 2.88Å; K166-R170 WeakPolarHBondContact O-CB 3.48Å; K166-R170 VanDerWaalsContact O-CG 3.24Å; K166-R170 WeakPolarHBondContact O-CG 3.35Å; K166-R170 PolarHBondContact O-N 3.4Å |
| 167 | A | 87.5 | Confident | 85.8 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D163 S164 T165 R170 L171 | D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.47Å; S164-A167 WeakPolarHBondContact O-CB 3.41Å; S164-A167 PolarHBondContact O-N 2.94Å; T165-A167 PolarHBondContact O-N 3.39Å; A167-R170 PolarHBondContact O-N 2.88Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 2.79Å |
| 168 | I | 86.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 174.5 | -64.8 | 167.9 | 0 | 0 | 0 | 110.9 | M82 L100 A103 I104 H107 S164 T165 R170 L171 L172 | M82-I168 HydrophobicContact CE-CB 4.08Å; M82-I168 HydrophobicContact CE-CD1 3.83Å; M82-I168 HydrophobicContact CE-CG2 3.71Å; M82-I168 HydrophobicContact SD-CG2 3.83Å; L100-I168 HydrophobicContact CD1-CG2 4.1Å; A103-I168 HydrophobicContact CB-CG1 4.22Å; I104-I168 HydrophobicContact CG1-CD1 4.06Å; I104-I168 HydrophobicContact CG1-CG1 4.39Å; I104-I168 HydrophobicContact CG1-CG2 4.48Å; H107-I168 HydrophobicContact CB-CD1 3.44Å; H107-I168 VanDerWaalsContact CB-CD1 3.44Å; S164-I168 WeakPolarHBondContact O-CG1 3.45Å; S164-I168 PolarHBondContact O-N 2.85Å; T165-I168 PolarHBondContact O-N 3.19Å; I168-R170 VanDerWaalsContact C-N 3.28Å; I168-R170 PolarHBondContact O-N 3.06Å; I168-L171 PolarHBondContact O-N 3.34Å; I168-L171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 3.79Å; I168-L172 HydrophobicContact CG2-CG 4.18Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.43Å; I168-L172 PolarHBondContact O-N 2.85Å |
| 169 | L | 86.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 179.6 | -70.8 | 170.7 | 0 | 0 | 0 | 112.8 | L78 V79 M82 T165 K166 S173 | L78-L169 HydrophobicContact CB-CD2 3.97Å; V79-L169 HydrophobicContact CG2-CD1 3.52Å; V79-L169 HydrophobicContact CG2-CD2 4.23Å; M82-L169 HydrophobicContact CG-CD2 4.1Å; M82-L169 HydrophobicContact SD-CD2 4.07Å; M82-L169 HydrophobicContact SD-CG 4.43Å; T165-L169 HydrophobicContact CG2-CD1 4.01Å; T165-L169 HydrophobicContact CG2-CG 4.42Å; T165-L169 WeakPolarHBondContact O-CB 3.33Å; T165-L169 VanDerWaalsContact O-CG 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.19Å; T165-L169 PolarHBondContact O-N 2.86Å; K166-L169 PolarHBondContact O-N 2.88Å; L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 3.38Å |
| 170 | R | 87 | Confident | 84.8 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.8 | -46.4 | 173.6 | -74.6 | 177.8 | -162.6 | 118.2 | -6.6 | 111.1 | K166 A167 I168 L172 S173 S174 | K166-R170 WeakPolarHBondContact O-CB 3.48Å; K166-R170 VanDerWaalsContact O-CG 3.24Å; K166-R170 WeakPolarHBondContact O-CG 3.35Å; K166-R170 PolarHBondContact O-N 3.4Å; A167-R170 PolarHBondContact O-N 2.88Å; I168-R170 VanDerWaalsContact C-N 3.28Å; I168-R170 PolarHBondContact O-N 3.06Å; R170-L172 VanDerWaalsContact C-N 3.34Å; R170-L172 PolarHBondContact O-N 2.81Å; R170-S173 PolarHBondContact O-N 2.99Å; R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 PolarHBondContact O-OG 2.98Å; R170-S174 VanDerWaalsContact O-OG 3.12Å |
| 171 | L | 84.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.6 | -69.1 | 171.4 | 0 | 0 | 0 | 111.7 | L100 A103 A167 I168 S174 Q175 | L100-L171 HydrophobicContact CD1-CB 3.92Å; L100-L171 HydrophobicContact CD1-CD1 4.19Å; A103-L171 HydrophobicContact CB-CD1 3.94Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 2.79Å; I168-L171 PolarHBondContact O-N 3.34Å; I168-L171 VanDerWaalsContact O-N 3.16Å; L171-S174 PolarHBondContact O-N 3.12Å; L171-Q175 PolarHBondContact O-N 3.16Å |
| 172 | L | 82.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.4 | -71.3 | 173.1 | 0 | 0 | 0 | 111.8 | M82 L100 I168 R170 S174 Q175 I178 I179 L182 | M82-L172 HydrophobicContact SD-CD1 4.26Å; L100-L172 HydrophobicContact CD1-CG 4.46Å; L100-L172 HydrophobicContact CD2-CD2 3.8Å; I168-L172 HydrophobicContact CG2-CD1 3.79Å; I168-L172 HydrophobicContact CG2-CG 4.18Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.43Å; I168-L172 PolarHBondContact O-N 2.85Å; R170-L172 VanDerWaalsContact C-N 3.34Å; R170-L172 PolarHBondContact O-N 2.81Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.23Å; L172-Q175 CarbonylContact O-C 3.42Å; L172-Q175 PolarHBondContact O-N 3.43Å; L172-Q175 VanDerWaalsContact O-N 3.1Å; L172-I178 HydrophobicContact CD2-CG2 3.68Å; L172-I179 HydrophobicContact CB-CG1 4.38Å; L172-I179 WeakPolarHBondContact O-CD1 3.46Å; L172-I179 WeakPolarHBondContact O-CG1 3.16Å; L172-L182 HydrophobicContact CD1-CD2 4.37Å |
| 173 | S | 81.3 | Confident | 83.5 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.6 | -28.7 | 179.2 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | L169 R170 Q175 | L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 3.38Å; R170-S173 PolarHBondContact O-N 2.99Å; S173-Q175 VanDerWaalsContact C-N 3.26Å; S173-Q175 PolarHBondContact O-N 3.27Å |
| 174 | S | 82.6 | Confident | 83 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 70% | 0.699 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -73.1 | -16.4 | 174 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | R170 L171 L172 | R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 PolarHBondContact O-OG 2.98Å; R170-S174 VanDerWaalsContact O-OG 3.12Å; L171-S174 PolarHBondContact O-N 3.12Å; L172-S174 VanDerWaalsContact C-N 3.27Å; L172-S174 PolarHBondContact O-N 3.23Å |
| 175 | Q | 81.3 | Confident | 82.3 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | trans | -129.2 | 80.8 | -174 | -67.5 | 177.1 | -23.2 | 0 | 0 | 111.3 | L171 L172 S173 Q177 I178 | L171-Q175 PolarHBondContact O-N 3.16Å; L172-Q175 CarbonylContact O-C 3.42Å; L172-Q175 PolarHBondContact O-N 3.43Å; L172-Q175 VanDerWaalsContact O-N 3.1Å; S173-Q175 VanDerWaalsContact C-N 3.26Å; S173-Q175 PolarHBondContact O-N 3.27Å; Q175-Q177 PolarHBondContact O-N 2.89Å; Q175-Q177 VanDerWaalsContact O-N 3.08Å; Q175-I178 HydrophobicContact CB-CB 4.35Å; Q175-I178 HydrophobicContact CB-CD1 3.78Å; Q175-I178 HydrophobicContact CB-CG1 3.99Å; Q175-I178 HydrophobicContact CG-CD1 4.38Å; Q175-I178 WeakPolarHBondContact O-CB 3.23Å; Q175-I178 PolarHBondContact O-N 2.95Å | ||
| 176 | S | 76 | Confident | 81.9 | Confident | 87 Ų | 87 | 69 Ų | 69 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56.3 | -28.8 | -175.3 | -176 | 0 | 0 | 0 | 0 | 115 | I178 T180 | S176-I178 VanDerWaalsContact C-N 3.31Å; S176-T180 PolarHBondContact O-N 3.34Å; S176-T180 PolarHBondContact O-OG1 3.42Å |
| 177 | Q | 79.3 | Confident | 81 | Confident | 166 Ų | 166 | 70.9 Ų | 70.9 | 78% | 0.776 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68 | -33.3 | 178.7 | -67.5 | 174.5 | -14.9 | 0 | 0 | 111.9 | Q175 T180 L181 | Q175-Q177 PolarHBondContact O-N 2.89Å; Q175-Q177 VanDerWaalsContact O-N 3.08Å; Q177-T180 PolarHBondContact O-N 3.49Å; Q177-L181 WeakPolarHBondContact O-CG 3.3Å; Q177-L181 PolarHBondContact O-N 3.05Å; Q177-L181 VanDerWaalsContact O-N 3.13Å |
| 178 | I | 79.5 | Confident | 80.2 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 8% | 0.077 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.9 | -37.2 | 179.8 | -60.6 | -173.5 | 0 | 0 | 0 | 110.9 | F96 P97 L100 L172 Q175 S176 T180 L181 L182 | F96-I178 HydrophobicContact CD1-CG2 3.67Å; F96-I178 HydrophobicContact CE1-CG2 3.38Å; F96-I178 HydrophobicContact CG-CG2 4.46Å; F96-I178 HydrophobicContact CZ-CG2 3.9Å; P97-I178 VanDerWaalsContact CD-CD1 3.41Å; P97-I178 HydrophobicContact CG-CD1 3.77Å; L100-I178 HydrophobicContact CD2-CD1 4.26Å; L100-I178 HydrophobicContact CD2-CG2 4.13Å; L172-I178 HydrophobicContact CD2-CG2 3.68Å; Q175-I178 HydrophobicContact CB-CB 4.35Å; Q175-I178 HydrophobicContact CB-CD1 3.78Å; Q175-I178 HydrophobicContact CB-CG1 3.99Å; Q175-I178 HydrophobicContact CG-CD1 4.38Å; Q175-I178 WeakPolarHBondContact O-CB 3.23Å; Q175-I178 PolarHBondContact O-N 2.95Å; S176-I178 VanDerWaalsContact C-N 3.31Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.21Å; I178-L181 PolarHBondContact O-N 3.13Å; I178-L182 VanDerWaalsContact O-CB 3.29Å; I178-L182 WeakPolarHBondContact O-CB 3.15Å; I178-L182 PolarHBondContact O-N 3.27Å |
| 179 | I | 81 | Confident | 80 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 174.7 | -68.9 | 170.9 | 0 | 0 | 0 | 110.8 | L78 L172 L182 Q183 | L78-I179 HydrophobicContact CD1-CD1 4.05Å; L78-I179 HydrophobicContact CD2-CB 4.23Å; L78-I179 HydrophobicContact CD2-CD1 3.88Å; L78-I179 HydrophobicContact CD2-CG1 3.77Å; L78-I179 HydrophobicContact CD2-CG2 3.52Å; L172-I179 HydrophobicContact CB-CG1 4.38Å; L172-I179 WeakPolarHBondContact O-CD1 3.46Å; L172-I179 WeakPolarHBondContact O-CG1 3.16Å; I179-L182 PolarHBondContact O-N 3.05Å; I179-Q183 HydrophobicContact CG2-CG 4.48Å; I179-Q183 WeakPolarHBondContact O-CB 3.47Å; I179-Q183 VanDerWaalsContact O-CG 3.3Å; I179-Q183 WeakPolarHBondContact O-CG 3.24Å; I179-Q183 PolarHBondContact O-N 3.08Å |
| 180 | T | 80.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | S176 Q177 I178 Q183 A184 | S176-T180 PolarHBondContact O-N 3.34Å; S176-T180 PolarHBondContact O-OG1 3.42Å; Q177-T180 PolarHBondContact O-N 3.49Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.21Å; T180-Q183 PolarHBondContact O-N 3.23Å; T180-A184 WeakPolarHBondContact O-CB 3.46Å; T180-A184 PolarHBondContact O-N 2.9Å |
| 181 | L | 79.6 | Confident | 79.8 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.1 | -70.5 | 172.2 | 0 | 0 | 0 | 111.9 | Q177 I178 A184 R185 | Q177-L181 WeakPolarHBondContact O-CG 3.3Å; Q177-L181 PolarHBondContact O-N 3.05Å; Q177-L181 VanDerWaalsContact O-N 3.13Å; I178-L181 PolarHBondContact O-N 3.13Å; L181-A184 PolarHBondContact O-N 3.38Å; L181-R185 VanDerWaalsContact O-CB 3.27Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.32Å |
| 182 | L | 80.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.8 | 178.7 | 60.3 | 0 | 0 | 0 | 111.8 | L81 Y84 V85 F96 L172 I178 I179 A184 R185 A186 | L81-L182 HydrophobicContact CB-CD2 4.1Å; L81-L182 HydrophobicContact CB-CG 4.35Å; L81-L182 HydrophobicContact CD1-CD2 4.4Å; L81-L182 HydrophobicContact CD1-CG 4.33Å; Y84-L182 HydrophobicContact CD1-CD1 3.81Å; Y84-L182 HydrophobicContact CE1-CD1 4.27Å; V85-L182 HydrophobicContact CG2-CD1 3.79Å; V85-L182 HydrophobicContact CG2-CD2 3.96Å; F96-L182 HydrophobicContact CZ-CB 4.32Å; F96-L182 HydrophobicContact CZ-CD1 4.16Å; L172-L182 HydrophobicContact CD1-CD2 4.37Å; I178-L182 VanDerWaalsContact O-CB 3.29Å; I178-L182 WeakPolarHBondContact O-CB 3.15Å; I178-L182 PolarHBondContact O-N 3.27Å; I179-L182 PolarHBondContact O-N 3.05Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-R185 PolarHBondContact O-N 3.22Å; L182-A186 VanDerWaalsContact O-CB 3.3Å; L182-A186 WeakPolarHBondContact O-CB 3.27Å; L182-A186 PolarHBondContact O-N 2.92Å |
| 183 | Q | 80.6 | Confident | 80 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 175.7 | -75.7 | 175.1 | -2.6 | 0 | 0 | 113 | L81 I179 T180 | L81-Q183 HydrophobicContact CD1-CG 3.59Å; I179-Q183 HydrophobicContact CG2-CG 4.48Å; I179-Q183 WeakPolarHBondContact O-CB 3.47Å; I179-Q183 VanDerWaalsContact O-CG 3.3Å; I179-Q183 WeakPolarHBondContact O-CG 3.24Å; I179-Q183 PolarHBondContact O-N 3.08Å; T180-Q183 PolarHBondContact O-N 3.23Å |
| 184 | A | 79.1 | Confident | 80.3 | Confident | 89 Ų | 89 | 77.6 Ų | 77.6 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -77.9 | -29.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T180 L181 L182 | T180-A184 WeakPolarHBondContact O-CB 3.46Å; T180-A184 PolarHBondContact O-N 2.9Å; L181-A184 PolarHBondContact O-N 3.38Å; L182-A184 VanDerWaalsContact C-N 3.34Å |
| 185 | R | 75.4 | Confident | 80.6 | Confident | 164 Ų | 164 | 79.4 Ų | 79.4 | 62% | 0.619 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -88 | -34 | -176.3 | -167 | 75.2 | 173.4 | 168.5 | 1 | 113.1 | Y84 L181 L182 | Y84-R185 HydrophobicContact CE1-CG 4.45Å; L181-R185 VanDerWaalsContact O-CB 3.27Å; L181-R185 WeakPolarHBondContact O-CB 3.37Å; L181-R185 PolarHBondContact O-N 3.32Å; L182-R185 PolarHBondContact O-N 3.22Å |
| 186 | A | 78.9 | Confident | 81.1 | Confident | 14 Ų | 14 | 80 Ų | 80 | 12% | 0.116 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -65.1 | 128.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L81 Y84 L182 G188 | L81-A186 HydrophobicContact CD2-CB 3.95Å; Y84-A186 HydrophobicContact CD1-CB 3.73Å; Y84-A186 HydrophobicContact CD2-CB 4.41Å; Y84-A186 HydrophobicContact CE1-CB 4.16Å; Y84-A186 HydrophobicContact CG-CB 3.85Å; L182-A186 VanDerWaalsContact O-CB 3.3Å; L182-A186 WeakPolarHBondContact O-CB 3.27Å; L182-A186 PolarHBondContact O-N 2.92Å; A186-G188 PolarHBondContact O-N 3.11Å |
| 187 | P | 69.9 | Low | 81.6 | Confident | 115 Ų | 115 | 76.5 Ų | 76.5 | 75% | 0.747 | 41% | 0.406 | S | S | * | . | trans | -70.4 | 0.3 | -177.7 | 29.2 | -34.7 | 0 | 0 | 0 | 113.7 | Y84 | Y84-P187 VanDerWaalsContact CD2-CD 3.46Å; Y84-P187 HydrophobicContact CD2-CG 4.24Å; Y84-P187 HydrophobicContact CE2-CG 4.1Å | ||
| 188 | G | 72 | Confident | 82.2 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | trans | 139.3 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A186 | A186-G188 PolarHBondContact O-N 3.11Š| ||
| 189 | R | 82.1 | Confident | 82.8 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 28% | 0.279 | 41% | 0.406 | S | S | . | . | trans | -99.7 | 165 | 174.6 | -62.2 | 177.9 | -175.5 | 86.1 | 5.8 | 110.3 | T80 L81 A193 Q194 L197 | T80-R189 WeakPolarHBondContact OG1-CD 3.43Å; T80-R189 PolarHBondContact OG1-NE 3.3Å; L81-R189 HydrophobicContact CD2-CG 4.24Å; R189-A193 HydrophobicContact CB-CB 4.14Å; R189-Q194 HydrophobicContact CB-CB 4.49Å; R189-L197 VanDerWaalsContact CD-CD1 3.44Å | ||
| 190 | S | 84.3 | Confident | 83.2 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | trans | -59.5 | 149.5 | 168.8 | 76 | 0 | 0 | 0 | 0 | 111 | G192 A193 Q194 | S190-G192 PolarHBondContact O-N 3.47Å; S190-G192 VanDerWaalsContact O-N 3.15Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 WeakPolarHBondContact OG-CB 3.44Å; S190-A193 PolarHBondContact OG-N 3.26Å; S190-Q194 PolarHBondContact O-N 3.39Å | ||
| 191 | R | 83.8 | Confident | 83.7 | Confident | 194 Ų | 194 | 75.9 Ų | 75.9 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.5 | -33.3 | -179.4 | -171.3 | 171.7 | 73.7 | 155.9 | 0.3 | 113 | R195 | R191-R195 WeakPolarHBondContact O-CG 3.37Å; R191-R195 PolarHBondContact O-N 2.96Å; R191-R195 PolarHBondContact O-NE 2.9Å |
| 192 | G | 85.8 | Confident | 84.3 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S190 L196 | S190-G192 PolarHBondContact O-N 3.47Å; S190-G192 VanDerWaalsContact O-N 3.15Å; G192-L196 PolarHBondContact O-N 3.46Å |
| 193 | A | 85.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 81.6 Ų | 81.6 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T80 R189 S190 L196 L197 | T80-A193 HydrophobicContact CG2-CB 3.47Å; T80-A193 VanDerWaalsContact CG2-CB 3.47Å; R189-A193 HydrophobicContact CB-CB 4.14Å; S190-A193 PolarHBondContact O-N 3.46Å; S190-A193 WeakPolarHBondContact OG-CB 3.44Å; S190-A193 PolarHBondContact OG-N 3.26Å; A193-L196 PolarHBondContact O-N 2.89Å; A193-L197 PolarHBondContact O-N 3.25Å; A193-L197 VanDerWaalsContact O-N 3.13Å |
| 194 | Q | 87.7 | Confident | 85.3 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 30% | 0.304 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 179.9 | -174.9 | 58.7 | 29.3 | 0 | 0 | 111.9 | R189 S190 L196 L197 E198 | R189-Q194 HydrophobicContact CB-CB 4.49Å; S190-Q194 PolarHBondContact O-N 3.39Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 3.09Å; Q194-L197 WeakPolarHBondContact O-CB 3.48Å; Q194-L197 PolarHBondContact O-N 2.86Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.34Å; Q194-E198 PolarHBondContact NE2-OE1 3.2Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 2.83Å |
| 195 | R | 90.1 | Very high | 85.7 | Confident | 138 Ų | 138 | 78.8 Ų | 78.8 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.7 | -73 | -173.1 | -60 | -151.2 | 6 | 113.1 | R191 E198 A199 | R191-R195 WeakPolarHBondContact O-CG 3.37Å; R191-R195 PolarHBondContact O-N 2.96Å; R191-R195 PolarHBondContact O-NE 2.9Å; R195-E198 PolarHBondContact O-N 3.13Å; R195-A199 WeakPolarHBondContact O-CB 3.5Å; R195-A199 PolarHBondContact O-N 3.35Å |
| 196 | L | 90.5 | Very high | 86.2 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.3 | 178.7 | 63 | 0 | 0 | 0 | 111.3 | V76 G192 A193 Q194 A199 L200 | V76-L196 HydrophobicContact CG1-CD2 4.09Å; G192-L196 PolarHBondContact O-N 3.46Å; A193-L196 PolarHBondContact O-N 2.89Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 3.09Å; L196-A199 PolarHBondContact O-N 3.33Å; L196-L200 HydrophobicContact CG-CD1 4.37Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.49Å; L196-L200 PolarHBondContact O-N 3.03Å |
| 197 | L | 88.1 | Confident | 86.6 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.7 | -99.7 | 151.7 | 0 | 0 | 0 | 112.3 | I73 R189 A193 Q194 L200 I201 | I73-L197 HydrophobicContact CG2-CD2 4.1Å; R189-L197 VanDerWaalsContact CD-CD1 3.44Å; A193-L197 PolarHBondContact O-N 3.25Å; A193-L197 VanDerWaalsContact O-N 3.13Å; Q194-L197 WeakPolarHBondContact O-CB 3.48Å; Q194-L197 PolarHBondContact O-N 2.86Å; L197-L200 PolarHBondContact O-N 3.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.33Å; L197-I201 PolarHBondContact O-N 3.19Å |
| 198 | E | 90.4 | Very high | 87.3 | Confident | 89 Ų | 89 | 76.7 Ų | 76.7 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.1 | -73.6 | 162.1 | -170.4 | 0 | 0 | 111.3 | Q194 R195 L200 I201 E202 | Q194-E198 WeakPolarHBondContact CG-OE1 3.34Å; Q194-E198 PolarHBondContact NE2-OE1 3.2Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 2.83Å; R195-E198 PolarHBondContact O-N 3.13Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 3.01Å; E198-I201 PolarHBondContact O-N 2.84Å; E198-I201 VanDerWaalsContact O-N 3.09Å; E198-E202 WeakPolarHBondContact O-CG 3.45Å; E198-E202 PolarHBondContact O-N 3.43Å |
| 199 | A | 92.1 | Very high | 87.8 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R195 L196 L203 | R195-A199 WeakPolarHBondContact O-CB 3.5Å; R195-A199 PolarHBondContact O-N 3.35Å; L196-A199 PolarHBondContact O-N 3.33Å; A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.43Å; A199-L203 PolarHBondContact O-N 3.5Å |
| 200 | L | 91.3 | Very high | 87.8 | Confident | 33 Ų | 33 | 82 Ų | 82 | 17% | 0.173 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69 | -35.6 | 175.4 | -70.7 | 170.5 | 0 | 0 | 0 | 112.1 | L69 I73 V76 L196 L197 E198 R204 | L69-L200 HydrophobicContact CD1-CD2 4.41Å; I73-L200 HydrophobicContact CD1-CB 4.23Å; I73-L200 HydrophobicContact CG1-CB 3.7Å; I73-L200 HydrophobicContact CG1-CD1 4.4Å; V76-L200 HydrophobicContact CB-CD1 4.46Å; V76-L200 HydrophobicContact CG1-CD1 4.35Å; V76-L200 HydrophobicContact CG2-CD1 4.39Å; L196-L200 HydrophobicContact CG-CD1 4.37Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.49Å; L196-L200 PolarHBondContact O-N 3.03Å; L197-L200 PolarHBondContact O-N 3.32Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 3.01Å; L200-R204 WeakPolarHBondContact O-CB 3.41Å; L200-R204 PolarHBondContact O-N 3.02Å |
| 201 | I | 90.7 | Very high | 87.8 | Confident | 95 Ų | 95 | 81.6 Ų | 81.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 175 | -67.2 | 165.3 | 0 | 0 | 0 | 110.9 | I73 L197 E198 R204 G205 | I73-I201 HydrophobicContact CG2-CG1 4.4Å; L197-I201 WeakPolarHBondContact O-CG1 3.33Å; L197-I201 PolarHBondContact O-N 3.19Å; E198-I201 PolarHBondContact O-N 2.84Å; E198-I201 VanDerWaalsContact O-N 3.09Å; I201-R204 WeakPolarHBondContact O-CB 3.47Å; I201-R204 PolarHBondContact O-N 2.85Å; I201-G205 PolarHBondContact O-N 2.91Å |
| 202 | E | 91.6 | Very high | 87.7 | Confident | 145 Ų | 145 | 73 Ų | 73 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 173.7 | -72.8 | 178.6 | -178.3 | 0 | 0 | 111.6 | E198 R204 G205 Y206 | E198-E202 WeakPolarHBondContact O-CG 3.45Å; E198-E202 PolarHBondContact O-N 3.43Å; E202-R204 VanDerWaalsContact C-N 3.25Å; E202-R204 PolarHBondContact O-N 3.46Å; E202-G205 WeakPolarHBondContact O-CA 3.33Å; E202-G205 PolarHBondContact O-N 2.94Å; E202-Y206 PolarHBondContact O-N 2.83Å |
| 203 | L | 92.1 | Very high | 87.4 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 175.3 | 178.6 | 63.1 | 0 | 0 | 0 | 111.2 | A199 Y206 L207 | A199-L203 VanDerWaalsContact O-CB 3.25Å; A199-L203 WeakPolarHBondContact O-CB 3.43Å; A199-L203 PolarHBondContact O-N 3.5Å; L203-Y206 PolarHBondContact O-N 3.32Å; L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CG 3.98Å; L203-L207 HydrophobicContact CD2-CD1 4.44Å; L203-L207 HydrophobicContact CG-CD1 3.83Å; L203-L207 HydrophobicContact CG-CG 4.29Å; L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.27Å |
| 204 | R | 90.6 | Very high | 87.1 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 35% | 0.347 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.2 | -177.9 | -154.9 | -174.3 | -94 | -3.7 | 111.4 | M66 L69 D70 I73 L200 I201 E202 F208 | M66-R204 HydrophobicContact CE-CB 4.45Å; M66-R204 HydrophobicContact CE-CG 3.35Å; L69-R204 HydrophobicContact CD2-CB 3.7Å; L69-R204 HydrophobicContact CD2-CG 4.14Å; L69-R204 HydrophobicContact CG-CB 4.38Å; D70-R204 WeakPolarHBondContact OD1-CD 3.48Å; D70-R204 IonicContact OD1-CZ 2.68Å; D70-R204 IonicContact OD1-NE 2.68Å; D70-R204 PolarHBondContact OD1-NE 3.14Å; D70-R204 IonicContact OD1-NH2 2.84Å; D70-R204 IonicContact OD2-NE 3.61Å; D70-R204 IonicContact OD2-NH2 3.61Å; D70-R204 PolarHBondContact OD2-NH2 2.97Å; I73-R204 HydrophobicContact CD1-CB 4.17Å; L200-R204 WeakPolarHBondContact O-CB 3.41Å; L200-R204 PolarHBondContact O-N 3.02Å; I201-R204 WeakPolarHBondContact O-CB 3.47Å; I201-R204 PolarHBondContact O-N 2.85Å; E202-R204 VanDerWaalsContact C-N 3.25Å; E202-R204 PolarHBondContact O-N 3.46Å; R204-F208 VanDerWaalsContact O-CB 3.29Å; R204-F208 WeakPolarHBondContact O-CB 3.43Å; R204-F208 PolarHBondContact O-N 3.43Å |
| 205 | G | 86.7 | Confident | 86.6 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I201 E202 F208 E209 | I201-G205 PolarHBondContact O-N 2.91Å; E202-G205 WeakPolarHBondContact O-CA 3.33Å; E202-G205 PolarHBondContact O-N 2.94Å; G205-F208 WeakPolarHBondContact O-CB 3.31Å; G205-F208 PolarHBondContact O-N 3.01Å; G205-E209 PolarHBondContact O-N 3.39Å; G205-E209 VanDerWaalsContact O-N 3.12Å |
| 206 | Y | 87.1 | Confident | 86.1 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 178 | 177.5 | -94.4 | 0 | 0 | 0 | 112.8 | E202 L203 F208 E209 K210 | E202-Y206 PolarHBondContact O-N 2.83Å; L203-Y206 PolarHBondContact O-N 3.32Å; Y206-F208 VanDerWaalsContact C-N 3.28Å; Y206-F208 PolarHBondContact O-N 3.08Å; Y206-E209 PolarHBondContact O-N 3.14Å; Y206-K210 HydrophobicContact CD1-CG 4.06Å; Y206-K210 HydrophobicContact CE1-CD 4.47Å; Y206-K210 HydrophobicContact CE1-CG 3.65Å; Y206-K210 HydrophobicContact CE2-CG 4.34Å; Y206-K210 WeakPolarHBondContact O-CG 3.35Å; Y206-K210 PolarHBondContact O-N 2.79Å; Y206-K210 WeakPolarHBondContact OH-CE 3.47Å |
| 207 | L | 85.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 179.5 | -74.6 | 173.9 | 0 | 0 | 0 | 111.3 | L69 L203 K210 L211 | L69-L207 HydrophobicContact CD2-CD1 3.87Å; L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CG 3.98Å; L203-L207 HydrophobicContact CD2-CD1 4.44Å; L203-L207 HydrophobicContact CG-CD1 3.83Å; L203-L207 HydrophobicContact CG-CG 4.29Å; L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.27Å; L207-K210 PolarHBondContact O-N 2.88Å; L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CD1 3.41Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 3.46Å |
| 208 | F | 85.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 174.9 | -175.2 | -103 | 0 | 0 | 0 | 111.2 | L57 M66 R204 G205 Y206 K210 L211 L212 | L57-F208 HydrophobicContact CD1-CD2 3.86Å; L57-F208 HydrophobicContact CD1-CE2 3.92Å; L57-F208 HydrophobicContact CD2-CD2 4.34Å; L57-F208 HydrophobicContact CD2-CE2 4.36Å; L57-F208 HydrophobicContact CG-CD2 4.04Å; L57-F208 HydrophobicContact CG-CE2 3.76Å; M66-F208 HydrophobicContact CE-CB 4.05Å; M66-F208 HydrophobicContact CE-CD2 4.26Å; M66-F208 HydrophobicContact SD-CB 4.42Å; R204-F208 VanDerWaalsContact O-CB 3.29Å; R204-F208 WeakPolarHBondContact O-CB 3.43Å; R204-F208 PolarHBondContact O-N 3.43Å; G205-F208 WeakPolarHBondContact O-CB 3.31Å; G205-F208 PolarHBondContact O-N 3.01Å; Y206-F208 VanDerWaalsContact C-N 3.28Å; Y206-F208 PolarHBondContact O-N 3.08Å; F208-K210 PolarHBondContact O-N 2.88Å; F208-L211 PolarHBondContact O-N 3.2Å; F208-L212 HydrophobicContact CD1-CD1 3.71Å; F208-L212 HydrophobicContact CD1-CG 4.42Å; F208-L212 HydrophobicContact CE1-CD1 3.36Å; F208-L212 HydrophobicContact CE1-CG 4.22Å; F208-L212 HydrophobicContact CZ-CD1 3.9Å; F208-L212 HydrophobicContact CZ-CD2 4.44Å; F208-L212 HydrophobicContact CZ-CG 4.39Å; F208-L212 VanDerWaalsContact O-CG 3.27Å; F208-L212 WeakPolarHBondContact O-CG 3.24Å; F208-L212 PolarHBondContact O-N 3.31Å |
| 209 | E | 83.1 | Confident | 85.1 | Confident | 124 Ų | 124 | 75.8 Ų | 75.8 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 176.3 | -69.4 | -174.3 | 168.3 | 0 | 0 | 112.4 | G205 Y206 L211 L212 T213 | G205-E209 PolarHBondContact O-N 3.39Å; G205-E209 VanDerWaalsContact O-N 3.12Å; Y206-E209 PolarHBondContact O-N 3.14Å; E209-L211 PolarHBondContact O-N 3.15Å; E209-L212 WeakPolarHBondContact O-CB 3.32Å; E209-L212 PolarHBondContact O-N 2.87Å; E209-T213 PolarHBondContact O-N 3.39Å |
| 210 | K | 81.9 | Confident | 84.8 | Confident | 109 Ų | 109 | 78.3 Ų | 78.3 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.6 | -70.6 | -59.5 | -171.2 | -173.7 | 0 | 112.8 | Y206 L207 F208 L212 T213 | Y206-K210 HydrophobicContact CD1-CG 4.06Å; Y206-K210 HydrophobicContact CE1-CD 4.47Å; Y206-K210 HydrophobicContact CE1-CG 3.65Å; Y206-K210 HydrophobicContact CE2-CG 4.34Å; Y206-K210 WeakPolarHBondContact O-CG 3.35Å; Y206-K210 PolarHBondContact O-N 2.79Å; Y206-K210 WeakPolarHBondContact OH-CE 3.47Å; L207-K210 PolarHBondContact O-N 2.88Å; F208-K210 PolarHBondContact O-N 2.88Å; K210-L212 VanDerWaalsContact C-N 3.28Å; K210-L212 PolarHBondContact O-N 2.88Å; K210-T213 PolarHBondContact O-N 2.77Å; K210-T213 PolarHBondContact O-OG1 3.39Å |
| 211 | L | 83.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.9 | -19.3 | 177.7 | -68.6 | 168.6 | 0 | 0 | 0 | 112.6 | L57 A62 I65 M66 L207 F208 E209 | L57-L211 HydrophobicContact CD2-CB 3.54Å; A62-L211 HydrophobicContact CB-CB 4.14Å; A62-L211 HydrophobicContact CB-CD1 4.14Å; A62-L211 HydrophobicContact CB-CD2 4.02Å; A62-L211 HydrophobicContact CB-CG 4.34Å; I65-L211 HydrophobicContact CB-CD1 4.48Å; I65-L211 HydrophobicContact CG2-CD1 4.2Å; M66-L211 HydrophobicContact CG-CD1 4.29Å; M66-L211 HydrophobicContact SD-CD1 3.9Å; L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CD1 3.41Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 3.46Å; F208-L211 PolarHBondContact O-N 3.2Å; E209-L211 PolarHBondContact O-N 3.15Å |
| 212 | L | 82 | Confident | 84.5 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -78.6 | -27.2 | 170.5 | -72 | 174.3 | 0 | 0 | 0 | 113 | P52 K54 K56 L57 F208 E209 K210 | P52-L212 HydrophobicContact CB-CB 4.06Å; K54-L212 HydrophobicContact CB-CD2 4.23Å; K54-L212 WeakPolarHBondContact O-CD1 3.27Å; K54-L212 WeakPolarHBondContact O-CD2 3.49Å; K56-L212 WeakPolarHBondContact O-CD2 3.34Å; L57-L212 HydrophobicContact CD2-CD2 3.9Å; L57-L212 HydrophobicContact CD2-CG 4.11Å; L57-L212 HydrophobicContact CG-CD2 4.45Å; F208-L212 HydrophobicContact CD1-CD1 3.71Å; F208-L212 HydrophobicContact CD1-CG 4.42Å; F208-L212 HydrophobicContact CE1-CD1 3.36Å; F208-L212 HydrophobicContact CE1-CG 4.22Å; F208-L212 HydrophobicContact CZ-CD1 3.9Å; F208-L212 HydrophobicContact CZ-CD2 4.44Å; F208-L212 HydrophobicContact CZ-CG 4.39Å; F208-L212 VanDerWaalsContact O-CG 3.27Å; F208-L212 WeakPolarHBondContact O-CG 3.24Å; F208-L212 PolarHBondContact O-N 3.31Å; E209-L212 WeakPolarHBondContact O-CB 3.32Å; E209-L212 PolarHBondContact O-N 2.87Å; K210-L212 VanDerWaalsContact C-N 3.28Å; K210-L212 PolarHBondContact O-N 2.88Å |
| 213 | T | 79.3 | Confident | 84.4 | Confident | 36 Ų | 36 | 77 Ų | 77 | 22% | 0.221 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -79.9 | 130.1 | -179.5 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | P52 E209 K210 | P52-T213 HydrophobicContact CB-CG2 3.99Å; E209-T213 PolarHBondContact O-N 3.39Å; K210-T213 PolarHBondContact O-N 2.77Å; K210-T213 PolarHBondContact O-OG1 3.39Å |
| 214 | S | 78.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | trans | -79.6 | 144.3 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | M216 E217 V218 | S214-M216 PolarHBondContact O-N 2.98Å; S214-M216 VanDerWaalsContact O-N 3.08Å; S214-M216 PolarHBondContact OG-N 3.02Å; S214-E217 PolarHBondContact N-OE2 3.48Å; S214-E217 VanDerWaalsContact N-OE2 3.07Å; S214-E217 WeakPolarHBondContact O-CB 3.33Å; S214-E217 PolarHBondContact O-N 3.05Å; S214-V218 PolarHBondContact O-N 2.99Å; S214-V218 VanDerWaalsContact O-N 3.08Å | ||
| 215 | P | 78 | Confident | 84.3 | Confident | 91 Ų | 91 | 76.3 Ų | 76.3 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.8 | -23.1 | 170.9 | -25.1 | 34.1 | 0 | 0 | 0 | 114.2 | R219 | P215-R219 WeakPolarHBondContact O-CG 3.49Å; P215-R219 PolarHBondContact O-N 3.2Å; P215-R219 PolarHBondContact O-NE 3.38Å |
| 216 | M | 80.1 | Confident | 84.6 | Confident | 107 Ų | 107 | 79.7 Ų | 79.7 | 53% | 0.527 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.9 | -44.7 | 173.6 | -163.8 | 67 | 81.9 | 0 | 0 | 111.3 | S214 V218 R219 E220 | S214-M216 PolarHBondContact O-N 2.98Å; S214-M216 VanDerWaalsContact O-N 3.08Å; S214-M216 PolarHBondContact OG-N 3.02Å; M216-V218 VanDerWaalsContact C-N 3.29Å; M216-V218 PolarHBondContact O-N 2.95Å; M216-R219 WeakPolarHBondContact O-CB 3.45Å; M216-R219 PolarHBondContact O-N 2.7Å; M216-E220 WeakPolarHBondContact O-CG 3.3Å; M216-E220 PolarHBondContact O-N 3.06Å |
| 217 | E | 80.8 | Confident | 84.9 | Confident | 29 Ų | 29 | 77 Ų | 77 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.7 | -68.4 | 166.9 | -175.4 | 0 | 0 | 111 | S53 S214 R219 E220 K221 | S53-E217 WeakPolarHBondContact CB-OE1 3.35Å; S53-E217 PolarHBondContact OG-OE1 3.39Å; S214-E217 PolarHBondContact N-OE2 3.48Å; S214-E217 VanDerWaalsContact N-OE2 3.07Å; S214-E217 WeakPolarHBondContact O-CB 3.33Å; S214-E217 PolarHBondContact O-N 3.05Å; E217-R219 VanDerWaalsContact C-N 3.31Å; E217-R219 PolarHBondContact O-N 3.27Å; E217-E220 PolarHBondContact O-N 3.08Å; E217-K221 WeakPolarHBondContact O-CB 3.47Å; E217-K221 WeakPolarHBondContact O-CG 3.43Å; E217-K221 PolarHBondContact O-N 2.94Å |
| 218 | V | 81.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 77 Ų | 77 | 38% | 0.376 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | S214 M216 N222 | S214-V218 PolarHBondContact O-N 2.99Å; S214-V218 VanDerWaalsContact O-N 3.08Å; M216-V218 VanDerWaalsContact C-N 3.29Å; M216-V218 PolarHBondContact O-N 2.95Å; V218-N222 WeakPolarHBondContact O-CB 3.41Å; V218-N222 PolarHBondContact O-N 3.22Å; V218-N222 PolarHBondContact O-ND2 2.96Å |
| 219 | R | 85.8 | Confident | 85.7 | Confident | 149 Ų | 149 | 77.6 Ų | 77.6 | 56% | 0.562 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 176.6 | -78.9 | -174.4 | -98.7 | -160.9 | -4 | 112.1 | P215 M216 E217 K221 N222 Q223 | P215-R219 WeakPolarHBondContact O-CG 3.49Å; P215-R219 PolarHBondContact O-N 3.2Å; P215-R219 PolarHBondContact O-NE 3.38Å; M216-R219 WeakPolarHBondContact O-CB 3.45Å; M216-R219 PolarHBondContact O-N 2.7Å; E217-R219 VanDerWaalsContact C-N 3.31Å; E217-R219 PolarHBondContact O-N 3.27Å; R219-K221 PolarHBondContact O-N 3.25Å; R219-N222 PolarHBondContact O-N 3.01Å; R219-Q223 WeakPolarHBondContact O-CG 3.45Å; R219-Q223 PolarHBondContact O-N 2.85Å |
| 220 | E | 85.8 | Confident | 86.3 | Confident | 104 Ų | 104 | 78 Ų | 78 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.1 | -71.5 | 174.1 | -164.7 | 0 | 0 | 111.8 | M216 E217 Q223 F224 | M216-E220 WeakPolarHBondContact O-CG 3.3Å; M216-E220 PolarHBondContact O-N 3.06Å; E217-E220 PolarHBondContact O-N 3.08Å; E220-Q223 PolarHBondContact O-N 2.95Å; E220-F224 VanDerWaalsContact O-CB 3.32Å; E220-F224 WeakPolarHBondContact O-CB 3.33Å; E220-F224 PolarHBondContact O-N 2.99Å |
| 221 | K | 85.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.2 | -68.9 | -176.2 | -176.7 | 175.4 | 0 | 111.6 | L50 E217 R219 F224 I225 | L50-K221 HydrophobicContact CB-CD 4.03Å; L50-K221 HydrophobicContact CD2-CB 4.02Å; L50-K221 HydrophobicContact CD2-CD 3.83Å; L50-K221 HydrophobicContact CD2-CG 3.49Å; L50-K221 VanDerWaalsContact CD2-CG 3.49Å; L50-K221 HydrophobicContact CG-CD 4.46Å; L50-K221 WeakPolarHBondContact O-CE 3.41Å; L50-K221 PolarHBondContact O-NZ 3.48Å; E217-K221 WeakPolarHBondContact O-CB 3.47Å; E217-K221 WeakPolarHBondContact O-CG 3.43Å; E217-K221 PolarHBondContact O-N 2.94Å; R219-K221 PolarHBondContact O-N 3.25Å; K221-F224 PolarHBondContact O-N 3.26Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.48Å; K221-I225 PolarHBondContact O-N 3.31Å |
| 222 | N | 89.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 179 | -71.8 | -12.8 | 0 | 0 | 0 | 111.9 | V218 R219 I225 Q226 | V218-N222 WeakPolarHBondContact O-CB 3.41Å; V218-N222 PolarHBondContact O-N 3.22Å; V218-N222 PolarHBondContact O-ND2 2.96Å; R219-N222 PolarHBondContact O-N 3.01Å; N222-I225 PolarHBondContact O-N 3.45Å; N222-Q226 WeakPolarHBondContact O-CG 3.26Å; N222-Q226 PolarHBondContact O-N 2.86Å |
| 223 | Q | 89.4 | Confident | 88 | Confident | 118 Ų | 118 | 86.6 Ų | 86.6 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 175.2 | -74.3 | 175 | -2.8 | 0 | 0 | 111.5 | R219 E220 I225 Q226 D227 | R219-Q223 WeakPolarHBondContact O-CG 3.45Å; R219-Q223 PolarHBondContact O-N 2.85Å; E220-Q223 PolarHBondContact O-N 2.95Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.4Å; Q223-Q226 PolarHBondContact O-N 2.79Å; Q223-Q226 VanDerWaalsContact O-N 3.17Å; Q223-D227 PolarHBondContact O-N 3.43Å |
| 224 | F | 88.6 | Confident | 88.8 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 36% | 0.36 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 176.5 | -179.7 | -105.1 | 0 | 0 | 0 | 112.4 | E220 K221 D227 I228 | E220-F224 VanDerWaalsContact O-CB 3.32Å; E220-F224 WeakPolarHBondContact O-CB 3.33Å; E220-F224 PolarHBondContact O-N 2.99Å; K221-F224 PolarHBondContact O-N 3.26Å; F224-D227 PolarHBondContact O-N 3.33Å; F224-I228 HydrophobicContact CD1-CD1 3.82Å; F224-I228 HydrophobicContact CE1-CD1 3.27Å; F224-I228 HydrophobicContact CE1-CG1 4.37Å; F224-I228 HydrophobicContact CE2-CD1 4.18Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.49Å; F224-I228 VanDerWaalsContact CZ-CD1 3.49Å; F224-I228 HydrophobicContact CZ-CG1 4.35Å; F224-I228 WeakPolarHBondContact O-CG1 3.42Å; F224-I228 PolarHBondContact O-N 3.33Å |
| 225 | I | 91.6 | Very high | 89.7 | Confident | 71 Ų | 71 | 94.3 Ų | 94.3 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.9 | -68.3 | 164.9 | 0 | 0 | 0 | 110.7 | K221 N222 Q223 D227 I228 N229 | K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.48Å; K221-I225 PolarHBondContact O-N 3.31Å; N222-I225 PolarHBondContact O-N 3.45Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.4Å; I225-D227 VanDerWaalsContact C-N 3.35Å; I225-D227 PolarHBondContact O-N 2.84Å; I225-I228 PolarHBondContact O-N 3.46Å; I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.13Å; I225-N229 PolarHBondContact O-ND2 3.45Å |
| 226 | Q | 93.7 | Very high | 90.5 | Very high | 106 Ų | 106 | 94.6 Ų | 94.6 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 177.4 | -74.5 | 176.7 | 7.4 | 0 | 0 | 112.5 | N222 Q223 N229 R230 | N222-Q226 WeakPolarHBondContact O-CG 3.26Å; N222-Q226 PolarHBondContact O-N 2.86Å; Q223-Q226 PolarHBondContact O-N 2.79Å; Q223-Q226 VanDerWaalsContact O-N 3.17Å; Q226-N229 PolarHBondContact O-N 2.71Å; Q226-R230 WeakPolarHBondContact O-CG 3.44Å; Q226-R230 PolarHBondContact O-N 2.91Å |
| 227 | D | 93.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 95.7 Ų | 95.7 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 177.5 | -74.5 | -20.5 | 0 | 0 | 0 | 112.1 | Q223 F224 I225 R231 | Q223-D227 PolarHBondContact O-N 3.43Å; F224-D227 PolarHBondContact O-N 3.33Å; I225-D227 VanDerWaalsContact C-N 3.35Å; I225-D227 PolarHBondContact O-N 2.84Å; D227-R231 VanDerWaalsContact O-CG 3.3Å; D227-R231 WeakPolarHBondContact O-CG 3.3Å; D227-R231 PolarHBondContact O-N 2.86Å |
| 228 | I | 94.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 98.4 Ų | 98.4 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 171.5 | -73 | 175.6 | 0 | 0 | 0 | 110.5 | F224 I225 R230 R231 N232 | F224-I228 HydrophobicContact CD1-CD1 3.82Å; F224-I228 HydrophobicContact CE1-CD1 3.27Å; F224-I228 HydrophobicContact CE1-CG1 4.37Å; F224-I228 HydrophobicContact CE2-CD1 4.18Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.49Å; F224-I228 VanDerWaalsContact CZ-CD1 3.49Å; F224-I228 HydrophobicContact CZ-CG1 4.35Å; F224-I228 WeakPolarHBondContact O-CG1 3.42Å; F224-I228 PolarHBondContact O-N 3.33Å; I225-I228 PolarHBondContact O-N 3.46Å; I228-R230 VanDerWaalsContact C-N 3.34Å; I228-R230 PolarHBondContact O-N 2.74Å; I228-R231 PolarHBondContact O-N 3.34Å; I228-R231 VanDerWaalsContact O-N 3.09Å; I228-N232 PolarHBondContact O-N 3.42Å |
| 229 | N | 94.1 | Very high | 92.8 | Very high | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | -179.6 | -70.5 | -14.4 | 0 | 0 | 0 | 111.2 | I225 Q226 R231 N232 E233 | I225-N229 VanDerWaalsContact O-CG 3.23Å; I225-N229 PolarHBondContact O-N 3.13Å; I225-N229 PolarHBondContact O-ND2 3.45Å; Q226-N229 PolarHBondContact O-N 2.71Å; N229-R231 VanDerWaalsContact C-N 3.28Å; N229-R231 PolarHBondContact O-N 3.23Å; N229-N232 PolarHBondContact O-N 3.48Å; N229-N232 VanDerWaalsContact O-N 3.16Å; N229-E233 WeakPolarHBondContact O-CG 3.34Å; N229-E233 PolarHBondContact O-N 2.92Å |
| 230 | R | 95.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 95.7 Ų | 95.7 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | 175.5 | -73.7 | 174.6 | 174.6 | 169.3 | -2.4 | 113.4 | Q226 I228 R234 | Q226-R230 WeakPolarHBondContact O-CG 3.44Å; Q226-R230 PolarHBondContact O-N 2.91Å; I228-R230 VanDerWaalsContact C-N 3.34Å; I228-R230 PolarHBondContact O-N 2.74Å; R230-R234 WeakPolarHBondContact O-CG 3.41Å; R230-R234 PolarHBondContact O-N 3.01Å; R230-R234 PolarHBondContact O-NH1 3.2Å; R230-R234 VanDerWaalsContact O-NH1 3.08Å |
| 231 | R | 94.1 | Very high | 93.9 | Very high | 154 Ų | 154 | 93 Ų | 93 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -72 | -42.1 | 174.9 | -73.8 | 174.1 | -171.7 | -172.2 | 3.1 | 110.7 | D227 I228 N229 R234 N235 | D227-R231 VanDerWaalsContact O-CG 3.3Å; D227-R231 WeakPolarHBondContact O-CG 3.3Å; D227-R231 PolarHBondContact O-N 2.86Å; I228-R231 PolarHBondContact O-N 3.34Å; I228-R231 VanDerWaalsContact O-N 3.09Å; N229-R231 VanDerWaalsContact C-N 3.28Å; N229-R231 PolarHBondContact O-N 3.23Å; R231-R234 PolarHBondContact O-N 2.97Å; R231-N235 WeakPolarHBondContact O-CB 3.29Å; R231-N235 PolarHBondContact O-N 3.37Å; R231-N235 PolarHBondContact O-OD1 3.14Å |
| 232 | N | 93.7 | Very high | 94.4 | Very high | 93 Ų | 93 | 95.8 Ų | 95.8 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.6 | -75.5 | -6.2 | 0 | 0 | 0 | 111.8 | I228 N229 N235 Q236 | I228-N232 PolarHBondContact O-N 3.42Å; N229-N232 PolarHBondContact O-N 3.48Å; N229-N232 VanDerWaalsContact O-N 3.16Å; N232-N235 PolarHBondContact O-N 3.37Å; N232-Q236 WeakPolarHBondContact O-CB 3.37Å; N232-Q236 PolarHBondContact O-N 3.25Å |
| 233 | E | 96.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 175 | -73.9 | 165 | -178.7 | 0 | 0 | 111.4 | N229 N235 Q236 E237 | N229-E233 WeakPolarHBondContact O-CG 3.34Å; N229-E233 PolarHBondContact O-N 2.92Å; E233-N235 VanDerWaalsContact C-N 3.34Å; E233-N235 PolarHBondContact O-N 3.38Å; E233-Q236 WeakPolarHBondContact O-CB 3.44Å; E233-Q236 PolarHBondContact O-N 3.49Å; E233-Q236 VanDerWaalsContact O-N 3.13Å; E233-E237 WeakPolarHBondContact O-CG 3.44Å; E233-E237 PolarHBondContact O-N 3.33Å |
| 234 | R | 96.4 | Very high | 95.1 | Very high | 141 Ų | 141 | 94.5 Ų | 94.5 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.4 | -69.1 | -176.1 | -162.7 | 99.5 | -6.6 | 112.7 | R230 R231 Q236 E237 V238 | R230-R234 WeakPolarHBondContact O-CG 3.41Å; R230-R234 PolarHBondContact O-N 3.01Å; R230-R234 PolarHBondContact O-NH1 3.2Å; R230-R234 VanDerWaalsContact O-NH1 3.08Å; R231-R234 PolarHBondContact O-N 2.97Å; R234-Q236 VanDerWaalsContact C-N 3.28Å; R234-Q236 PolarHBondContact O-N 3.42Å; R234-E237 PolarHBondContact O-N 2.96Å; R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.12Å; R234-V238 VanDerWaalsContact O-N 3.08Å |
| 235 | N | 95.7 | Very high | 95.5 | Very high | 94 Ų | 94 | 96.6 Ų | 96.6 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 176.5 | -71.3 | -8.4 | 0 | 0 | 0 | 110.9 | R231 N232 E233 V238 I239 | R231-N235 WeakPolarHBondContact O-CB 3.29Å; R231-N235 PolarHBondContact O-N 3.37Å; R231-N235 PolarHBondContact O-OD1 3.14Å; N232-N235 PolarHBondContact O-N 3.37Å; E233-N235 VanDerWaalsContact C-N 3.34Å; E233-N235 PolarHBondContact O-N 3.38Å; N235-V238 PolarHBondContact O-N 2.99Å; N235-I239 VanDerWaalsContact O-CG1 3.24Å; N235-I239 WeakPolarHBondContact O-CG1 3.46Å; N235-I239 PolarHBondContact O-N 3.49Å |
| 236 | Q | 96.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.3 | -170 | 61.7 | 49.6 | 0 | 0 | 111.2 | N232 E233 R234 V238 I239 D240 | N232-Q236 WeakPolarHBondContact O-CB 3.37Å; N232-Q236 PolarHBondContact O-N 3.25Å; E233-Q236 WeakPolarHBondContact O-CB 3.44Å; E233-Q236 PolarHBondContact O-N 3.49Å; E233-Q236 VanDerWaalsContact O-N 3.13Å; R234-Q236 VanDerWaalsContact C-N 3.28Å; R234-Q236 PolarHBondContact O-N 3.42Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 2.96Å; Q236-I239 PolarHBondContact O-N 2.94Å; Q236-I239 VanDerWaalsContact O-N 3.13Å; Q236-D240 PolarHBondContact NE2-OD1 2.87Å; Q236-D240 WeakPolarHBondContact O-CB 3.4Å; Q236-D240 PolarHBondContact O-N 3.37Å |
| 237 | E | 97.1 | Very high | 95.9 | Very high | 131 Ų | 131 | 96 Ų | 96 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | 174.9 | -70.9 | 170.9 | 178.9 | 0 | 0 | 112 | E233 R234 D240 A241 | E233-E237 WeakPolarHBondContact O-CG 3.44Å; E233-E237 PolarHBondContact O-N 3.33Å; R234-E237 PolarHBondContact O-N 2.96Å; E237-D240 PolarHBondContact O-N 3.45Å; E237-A241 WeakPolarHBondContact O-CB 3.34Å; E237-A241 PolarHBondContact O-N 3.01Å |
| 238 | V | 96.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 97.1 Ų | 97.1 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | R234 N235 Q236 A241 L242 | R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.12Å; R234-V238 VanDerWaalsContact O-N 3.08Å; N235-V238 PolarHBondContact O-N 2.99Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 2.96Å; V238-A241 PolarHBondContact O-N 3Å; V238-L242 HydrophobicContact CG1-CD1 4.03Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.48Å; V238-L242 PolarHBondContact O-N 3.11Å |
| 239 | I | 95.8 | Very high | 96.2 | Very high | 76 Ų | 76 | 99.1 Ų | 99.1 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.9 | -72.2 | 165.1 | 0 | 0 | 0 | 110.3 | N235 Q236 A241 L242 Q243 | N235-I239 VanDerWaalsContact O-CG1 3.24Å; N235-I239 WeakPolarHBondContact O-CG1 3.46Å; N235-I239 PolarHBondContact O-N 3.49Å; Q236-I239 PolarHBondContact O-N 2.94Å; Q236-I239 VanDerWaalsContact O-N 3.13Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.48Å; I239-L242 PolarHBondContact O-N 3.17Å; I239-Q243 HydrophobicContact CG2-CG 4.32Å; I239-Q243 WeakPolarHBondContact O-CB 3.48Å; I239-Q243 VanDerWaalsContact O-CG 3.26Å; I239-Q243 WeakPolarHBondContact O-CG 3.49Å; I239-Q243 PolarHBondContact O-N 3.34Å |
| 240 | D | 97.1 | Very high | 96.3 | Very high | 78 Ų | 78 | 99.4 Ų | 99.4 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | -178.8 | -65.1 | -14.7 | 0 | 0 | 0 | 111.1 | Q236 E237 Q243 A244 | Q236-D240 PolarHBondContact NE2-OD1 2.87Å; Q236-D240 WeakPolarHBondContact O-CB 3.4Å; Q236-D240 PolarHBondContact O-N 3.37Å; E237-D240 PolarHBondContact O-N 3.45Å; D240-Q243 PolarHBondContact O-N 3.03Å; D240-A244 WeakPolarHBondContact O-CB 3.37Å; D240-A244 PolarHBondContact O-N 3.28Å |
| 241 | A | 97.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 99.1 Ų | 99.1 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E237 V238 I239 Q243 A244 E245 | E237-A241 WeakPolarHBondContact O-CB 3.34Å; E237-A241 PolarHBondContact O-N 3.01Å; V238-A241 PolarHBondContact O-N 3Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.48Å; A241-Q243 VanDerWaalsContact C-N 3.33Å; A241-Q243 PolarHBondContact O-N 3.23Å; A241-A244 PolarHBondContact O-N 3.44Å; A241-E245 PolarHBondContact O-N 3.03Å |
| 242 | L | 96.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 96.5 Ų | 96.5 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 177.3 | -71.7 | 173.4 | 0 | 0 | 0 | 112.2 | V238 I239 L246 | V238-L242 HydrophobicContact CG1-CD1 4.03Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.48Å; V238-L242 PolarHBondContact O-N 3.11Å; I239-L242 PolarHBondContact O-N 3.17Å; L242-L246 WeakPolarHBondContact O-CB 3.29Å; L242-L246 PolarHBondContact O-N 3.49Å |
| 243 | Q | 95.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 173.9 | -75.8 | 177.5 | -0 | 0 | 0 | 111.6 | I239 D240 A241 L246 A247 | I239-Q243 HydrophobicContact CG2-CG 4.32Å; I239-Q243 WeakPolarHBondContact O-CB 3.48Å; I239-Q243 VanDerWaalsContact O-CG 3.26Å; I239-Q243 WeakPolarHBondContact O-CG 3.49Å; I239-Q243 PolarHBondContact O-N 3.34Å; D240-Q243 PolarHBondContact O-N 3.03Å; A241-Q243 VanDerWaalsContact C-N 3.33Å; A241-Q243 PolarHBondContact O-N 3.23Å; Q243-L246 PolarHBondContact O-N 2.81Å; Q243-A247 WeakPolarHBondContact O-CB 3.27Å; Q243-A247 PolarHBondContact O-N 2.75Å |
| 244 | A | 97.3 | Very high | 96.7 | Very high | 58 Ų | 58 | 97.5 Ų | 97.5 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D240 A241 L246 A247 E248 | D240-A244 WeakPolarHBondContact O-CB 3.37Å; D240-A244 PolarHBondContact O-N 3.28Å; A241-A244 PolarHBondContact O-N 3.44Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 2.95Å; A244-A247 PolarHBondContact O-N 3.27Å; A244-E248 PolarHBondContact O-N 2.75Å |
| 245 | E | 97.3 | Very high | 96.7 | Very high | 125 Ų | 125 | 92.6 Ų | 92.6 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 174.9 | -74.3 | -178.9 | -174.3 | 0 | 0 | 111.7 | A241 A247 E248 V249 | A241-E245 PolarHBondContact O-N 3.03Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.34Å; E245-E248 PolarHBondContact O-N 2.8Å; E245-V249 WeakPolarHBondContact O-CG2 3.34Å; E245-V249 PolarHBondContact O-N 3.03Å |
| 246 | L | 95.4 | Very high | 96.8 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 176.3 | -178.4 | 64.6 | 0 | 0 | 0 | 111.5 | L242 Q243 A244 V249 L250 | L242-L246 WeakPolarHBondContact O-CB 3.29Å; L242-L246 PolarHBondContact O-N 3.49Å; Q243-L246 PolarHBondContact O-N 2.81Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 2.95Å; L246-V249 PolarHBondContact O-N 3.16Å; L246-L250 HydrophobicContact CD1-CD1 4.49Å; L246-L250 HydrophobicContact CD1-CG 4.43Å; L246-L250 HydrophobicContact CG-CD1 4.19Å; L246-L250 WeakPolarHBondContact O-CB 3.3Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.46Å; L246-L250 PolarHBondContact O-N 3.46Å |
| 247 | A | 97.1 | Very high | 96.8 | Very high | 57 Ų | 57 | 90.8 Ų | 90.8 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q243 A244 E245 L250 K251 | Q243-A247 WeakPolarHBondContact O-CB 3.27Å; Q243-A247 PolarHBondContact O-N 2.75Å; A244-A247 PolarHBondContact O-N 3.27Å; E245-A247 VanDerWaalsContact C-N 3.33Å; E245-A247 PolarHBondContact O-N 3.34Å; A247-L250 PolarHBondContact O-N 2.76Å; A247-K251 WeakPolarHBondContact O-CB 3.48Å; A247-K251 PolarHBondContact O-N 2.73Å |
| 248 | E | 97.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 91.1 Ų | 91.1 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.4 | -85 | -66.6 | 141.9 | 0 | 0 | 112.2 | A244 E245 L250 K251 N252 | A244-E248 PolarHBondContact O-N 2.75Å; E245-E248 PolarHBondContact O-N 2.8Å; E248-L250 PolarHBondContact O-N 3.38Å; E248-K251 PolarHBondContact O-N 3.27Å; E248-N252 WeakPolarHBondContact O-CB 3.4Å; E248-N252 VanDerWaalsContact O-CG 3.3Å; E248-N252 PolarHBondContact O-N 3.36Å; E248-N252 PolarHBondContact O-ND2 3.23Å; E248-N252 VanDerWaalsContact O-ND2 3.14Å |
| 249 | V | 97.3 | Very high | 96.9 | Very high | 93 Ų | 93 | 92.7 Ų | 92.7 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | E245 L246 N252 K253 | E245-V249 WeakPolarHBondContact O-CG2 3.34Å; E245-V249 PolarHBondContact O-N 3.03Å; L246-V249 PolarHBondContact O-N 3.16Å; V249-N252 PolarHBondContact O-N 2.87Å; V249-K253 WeakPolarHBondContact O-CB 3.49Å; V249-K253 PolarHBondContact O-N 3.48Å |
| 250 | L | 95.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 94.6 Ų | 94.6 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.9 | -72.9 | 175.1 | 0 | 0 | 0 | 111.5 | L246 A247 E248 N252 K253 E254 | L246-L250 HydrophobicContact CD1-CD1 4.49Å; L246-L250 HydrophobicContact CD1-CG 4.43Å; L246-L250 HydrophobicContact CG-CD1 4.19Å; L246-L250 WeakPolarHBondContact O-CB 3.3Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.46Å; L246-L250 PolarHBondContact O-N 3.46Å; A247-L250 PolarHBondContact O-N 2.76Å; E248-L250 PolarHBondContact O-N 3.38Å; L250-N252 PolarHBondContact O-N 3.5Å; L250-K253 WeakPolarHBondContact O-CB 3.18Å; L250-K253 PolarHBondContact O-N 2.85Å; L250-E254 WeakPolarHBondContact O-CG 3.44Å; L250-E254 PolarHBondContact O-N 3.48Å |
| 251 | K | 97.6 | Very high | 97 | Very high | 126 Ų | 126 | 95.1 Ų | 95.1 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.8 | -177.6 | -175.4 | 173.9 | -168.6 | 0 | 112.4 | A247 E248 K253 E254 A255 | A247-K251 WeakPolarHBondContact O-CB 3.48Å; A247-K251 PolarHBondContact O-N 2.73Å; E248-K251 PolarHBondContact O-N 3.27Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.97Å; K251-E254 PolarHBondContact O-N 2.91Å; K251-A255 WeakPolarHBondContact O-CB 3.4Å; K251-A255 PolarHBondContact O-N 3.02Å |
| 252 | N | 97.4 | Very high | 97 | Very high | 99 Ų | 99 | 98.9 Ų | 98.9 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.5 | -73.8 | -33.9 | 0 | 0 | 0 | 111.8 | E248 V249 L250 A255 E256 | E248-N252 WeakPolarHBondContact O-CB 3.4Å; E248-N252 VanDerWaalsContact O-CG 3.3Å; E248-N252 PolarHBondContact O-N 3.36Å; E248-N252 PolarHBondContact O-ND2 3.23Å; E248-N252 VanDerWaalsContact O-ND2 3.14Å; V249-N252 PolarHBondContact O-N 2.87Å; L250-N252 PolarHBondContact O-N 3.5Å; N252-A255 PolarHBondContact O-N 3.17Å; N252-E256 PolarHBondContact O-N 3.42Å |
| 253 | K | 97.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 97.6 Ų | 97.6 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 174.6 | -177.3 | -178.8 | 175.3 | 178.9 | 0 | 111.8 | V249 L250 K251 A255 E256 V257 | V249-K253 WeakPolarHBondContact O-CB 3.49Å; V249-K253 PolarHBondContact O-N 3.48Å; L250-K253 WeakPolarHBondContact O-CB 3.18Å; L250-K253 PolarHBondContact O-N 2.85Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.97Å; K253-A255 VanDerWaalsContact C-N 3.35Å; K253-E256 PolarHBondContact O-N 2.99Å; K253-V257 WeakPolarHBondContact O-CG2 3.25Å; K253-V257 PolarHBondContact O-N 2.94Å |
| 254 | E | 95.8 | Very high | 97.2 | Very high | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.3 | -45.7 | 176.1 | -78.1 | 170 | -170.5 | 0 | 0 | 111.3 | L250 K251 E256 V257 E258 | L250-E254 WeakPolarHBondContact O-CG 3.44Å; L250-E254 PolarHBondContact O-N 3.48Å; K251-E254 PolarHBondContact O-N 2.91Å; E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.37Å; E254-V257 PolarHBondContact O-N 3.02Å; E254-E258 WeakPolarHBondContact O-CG 3.46Å; E254-E258 PolarHBondContact O-N 3.26Å |
| 255 | A | 96.9 | Very high | 97.2 | Very high | 38 Ų | 38 | 96.9 Ų | 96.9 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K251 N252 K253 E258 K259 | K251-A255 WeakPolarHBondContact O-CB 3.4Å; K251-A255 PolarHBondContact O-N 3.02Å; N252-A255 PolarHBondContact O-N 3.17Å; K253-A255 VanDerWaalsContact C-N 3.35Å; A255-E258 PolarHBondContact O-N 3.45Å; A255-K259 WeakPolarHBondContact O-CG 3.29Å; A255-K259 PolarHBondContact O-N 3.16Å; A255-K259 VanDerWaalsContact O-N 3.16Å |
| 256 | E | 97.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 176.5 | -162.6 | 61 | -157.7 | 0 | 0 | 111.8 | N252 K253 E254 E258 K259 E260 | N252-E256 PolarHBondContact O-N 3.42Å; K253-E256 PolarHBondContact O-N 2.99Å; E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.37Å; E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.29Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 2.97Å; E256-K259 VanDerWaalsContact O-N 3.16Å; E256-K259 IonicContact OE2-NZ 3.08Å; E256-K259 PolarHBondContact OE2-NZ 3Å; E256-E260 PolarHBondContact O-N 3.43Å |
| 257 | V | 97.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 95.2 Ų | 95.2 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 173.7 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | K253 E254 E260 N261 | K253-V257 WeakPolarHBondContact O-CG2 3.25Å; K253-V257 PolarHBondContact O-N 2.94Å; E254-V257 PolarHBondContact O-N 3.02Å; V257-E260 PolarHBondContact O-N 3.44Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.34Å; V257-N261 VanDerWaalsContact O-CB 3.29Å; V257-N261 WeakPolarHBondContact O-CB 3.43Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 2.96Å |
| 258 | E | 96.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.9 | -74 | 177.7 | 176.3 | 0 | 0 | 112.6 | E254 A255 E256 N261 F262 | E254-E258 WeakPolarHBondContact O-CG 3.46Å; E254-E258 PolarHBondContact O-N 3.26Å; A255-E258 PolarHBondContact O-N 3.45Å; E256-E258 VanDerWaalsContact C-N 3.28Å; E256-E258 PolarHBondContact O-N 3.29Å; E258-N261 PolarHBondContact O-N 2.73Å; E258-F262 PolarHBondContact O-N 3.28Å |
| 259 | K | 97.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 97.2 Ų | 97.2 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 175 | -68.3 | 176.2 | -153.8 | 155.6 | 0 | 111.8 | A255 E256 N261 F262 V263 | A255-K259 WeakPolarHBondContact O-CG 3.29Å; A255-K259 PolarHBondContact O-N 3.16Å; A255-K259 VanDerWaalsContact O-N 3.16Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 2.97Å; E256-K259 VanDerWaalsContact O-N 3.16Å; E256-K259 IonicContact OE2-NZ 3.08Å; E256-K259 PolarHBondContact OE2-NZ 3Å; K259-N261 VanDerWaalsContact C-N 3.31Å; K259-N261 PolarHBondContact O-N 2.9Å; K259-F262 WeakPolarHBondContact O-CB 3.46Å; K259-F262 PolarHBondContact O-N 3.37Å; K259-F262 VanDerWaalsContact O-N 3.17Å; K259-V263 WeakPolarHBondContact O-CG2 3.47Å; K259-V263 PolarHBondContact O-N 3.09Å |
| 260 | E | 97.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 97.8 Ų | 97.8 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.3 | -72.2 | -173 | 165.4 | 0 | 0 | 111.1 | E256 V257 F262 V263 I264 | E256-E260 PolarHBondContact O-N 3.43Å; V257-E260 PolarHBondContact O-N 3.44Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 2.86Å; E260-V263 PolarHBondContact O-N 3.22Å; E260-I264 VanDerWaalsContact O-CG1 3.26Å; E260-I264 WeakPolarHBondContact O-CG1 3.47Å; E260-I264 PolarHBondContact O-N 2.94Å |
| 261 | N | 97.7 | Very high | 97.5 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.9 | -79.4 | -37.9 | 0 | 0 | 0 | 112.5 | V257 E258 K259 I264 Q265 | V257-N261 WeakPolarHBondContact CG1-ND2 3.34Å; V257-N261 VanDerWaalsContact O-CB 3.29Å; V257-N261 WeakPolarHBondContact O-CB 3.43Å; V257-N261 PolarHBondContact O-N 2.9Å; V257-N261 PolarHBondContact O-ND2 2.96Å; E258-N261 PolarHBondContact O-N 2.73Å; K259-N261 VanDerWaalsContact C-N 3.31Å; K259-N261 PolarHBondContact O-N 2.9Å; N261-I264 PolarHBondContact O-N 2.57Å; N261-Q265 PolarHBondContact O-N 2.87Å |
| 262 | F | 98 | Very high | 97.5 | Very high | 127 Ų | 127 | 98.7 Ų | 98.7 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63 | -47 | 174.2 | -178.6 | -93.8 | 0 | 0 | 0 | 111.7 | E258 K259 E260 I264 Q265 E266 | E258-F262 PolarHBondContact O-N 3.28Å; K259-F262 WeakPolarHBondContact O-CB 3.46Å; K259-F262 PolarHBondContact O-N 3.37Å; K259-F262 VanDerWaalsContact O-N 3.17Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 2.86Å; F262-I264 VanDerWaalsContact C-N 3.33Å; F262-I264 PolarHBondContact O-N 3.38Å; F262-Q265 WeakPolarHBondContact O-CB 3.41Å; F262-Q265 PolarHBondContact O-N 3.17Å; F262-Q265 VanDerWaalsContact O-N 3.09Å; F262-E266 HydrophobicContact CD1-CG 4.41Å; F262-E266 HydrophobicContact CE1-CG 3.89Å; F262-E266 VanDerWaalsContact CE1-OE1 3.25Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.26Å; F262-E266 HydrophobicContact CZ-CG 4.13Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.44Å; F262-E266 PolarHBondContact O-N 3.44Å |
| 263 | V | 98.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | K259 E260 Q265 E266 L267 | K259-V263 WeakPolarHBondContact O-CG2 3.47Å; K259-V263 PolarHBondContact O-N 3.09Å; E260-V263 PolarHBondContact O-N 3.22Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 PolarHBondContact O-N 3.39Å; V263-E266 PolarHBondContact O-N 3.48Å; V263-L267 HydrophobicContact CG1-CD1 3.95Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CB 3.43Å; V263-L267 WeakPolarHBondContact O-CG 3.27Å; V263-L267 PolarHBondContact O-N 2.78Å |
| 264 | I | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 33% | 0.333 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.2 | -71 | 166 | 0 | 0 | 0 | 110.5 | E260 N261 F262 L267 K268 | E260-I264 VanDerWaalsContact O-CG1 3.26Å; E260-I264 WeakPolarHBondContact O-CG1 3.47Å; E260-I264 PolarHBondContact O-N 2.94Å; N261-I264 PolarHBondContact O-N 2.57Å; F262-I264 VanDerWaalsContact C-N 3.33Å; F262-I264 PolarHBondContact O-N 3.38Å; I264-L267 PolarHBondContact O-N 2.87Å; I264-K268 HydrophobicContact CG2-CD 4.07Å; I264-K268 HydrophobicContact CG2-CG 4.48Å; I264-K268 WeakPolarHBondContact O-CB 3.38Å; I264-K268 VanDerWaalsContact O-CG 3.27Å; I264-K268 WeakPolarHBondContact O-CG 3.33Å; I264-K268 PolarHBondContact O-N 3.47Å |
| 265 | Q | 97.7 | Very high | 97.7 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 178.8 | -171.9 | 58.5 | 42.1 | 0 | 0 | 112.2 | N261 F262 V263 K268 N269 | N261-Q265 PolarHBondContact O-N 2.87Å; F262-Q265 WeakPolarHBondContact O-CB 3.41Å; F262-Q265 PolarHBondContact O-N 3.17Å; F262-Q265 VanDerWaalsContact O-N 3.09Å; V263-Q265 VanDerWaalsContact C-N 3.27Å; V263-Q265 PolarHBondContact O-N 3.39Å; Q265-K268 PolarHBondContact O-N 3.38Å; Q265-N269 PolarHBondContact NE2-OD1 3.41Å; Q265-N269 PolarHBondContact O-N 3Å; Q265-N269 PolarHBondContact O-ND2 2.85Å |
| 266 | E | 97.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.3 | -77.2 | -169.3 | 153.4 | 0 | 0 | 111.9 | F262 V263 K268 N269 H270 | F262-E266 HydrophobicContact CD1-CG 4.41Å; F262-E266 HydrophobicContact CE1-CG 3.89Å; F262-E266 VanDerWaalsContact CE1-OE1 3.25Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.26Å; F262-E266 HydrophobicContact CZ-CG 4.13Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.44Å; F262-E266 PolarHBondContact O-N 3.44Å; V263-E266 PolarHBondContact O-N 3.48Å; E266-K268 VanDerWaalsContact C-N 3.35Å; E266-K268 PolarHBondContact O-N 3.12Å; E266-N269 WeakPolarHBondContact O-CB 3.42Å; E266-N269 PolarHBondContact O-N 3.44Å; E266-N269 VanDerWaalsContact O-N 3.12Å; E266-H270 PolarHBondContact O-N 2.69Å |
| 267 | L | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 178.2 | -71.7 | 174.9 | 0 | 0 | 0 | 112 | V263 I264 N269 H270 L271 | V263-L267 HydrophobicContact CG1-CD1 3.95Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CB 3.43Å; V263-L267 WeakPolarHBondContact O-CG 3.27Å; V263-L267 PolarHBondContact O-N 2.78Å; I264-L267 PolarHBondContact O-N 2.87Å; L267-N269 VanDerWaalsContact C-N 3.32Å; L267-N269 PolarHBondContact O-N 2.92Å; L267-H270 PolarHBondContact O-N 2.82Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 2.9Å |
| 268 | K | 98.1 | Very high | 97.6 | Very high | 125 Ų | 125 | 105.4 Ų | 105.4 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 172.6 | -78.3 | 174.1 | 179.5 | 175.4 | 0 | 111.6 | I264 Q265 E266 L271 H272 | I264-K268 HydrophobicContact CG2-CD 4.07Å; I264-K268 HydrophobicContact CG2-CG 4.48Å; I264-K268 WeakPolarHBondContact O-CB 3.38Å; I264-K268 VanDerWaalsContact O-CG 3.27Å; I264-K268 WeakPolarHBondContact O-CG 3.33Å; I264-K268 PolarHBondContact O-N 3.47Å; Q265-K268 PolarHBondContact O-N 3.38Å; E266-K268 VanDerWaalsContact C-N 3.35Å; E266-K268 PolarHBondContact O-N 3.12Å; K268-L271 PolarHBondContact O-N 3.38Å; K268-H272 WeakPolarHBondContact O-CB 3.35Å; K268-H272 PolarHBondContact O-N 3.48Å |
| 269 | N | 98 | Very high | 97.7 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.9 | -69.8 | -17.3 | 0 | 0 | 0 | 111.6 | Q265 E266 L267 H272 Q273 | Q265-N269 PolarHBondContact NE2-OD1 3.41Å; Q265-N269 PolarHBondContact O-N 3Å; Q265-N269 PolarHBondContact O-ND2 2.85Å; E266-N269 WeakPolarHBondContact O-CB 3.42Å; E266-N269 PolarHBondContact O-N 3.44Å; E266-N269 VanDerWaalsContact O-N 3.12Å; L267-N269 VanDerWaalsContact C-N 3.32Å; L267-N269 PolarHBondContact O-N 2.92Å; N269-H272 PolarHBondContact O-N 3.47Å; N269-Q273 WeakPolarHBondContact O-CG 3.32Å; N269-Q273 PolarHBondContact O-N 3.34Å |
| 270 | H | 97.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 104.1 Ų | 104.1 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.8 | -71 | 164 | 0 | 0 | 0 | 111.9 | E266 L267 H272 Q273 V274 | E266-H270 PolarHBondContact O-N 2.69Å; L267-H270 PolarHBondContact O-N 2.82Å; H270-H272 VanDerWaalsContact C-N 3.31Å; H270-H272 PolarHBondContact O-N 2.98Å; H270-Q273 PolarHBondContact O-N 3.26Å; H270-V274 WeakPolarHBondContact O-CG2 3.28Å; H270-V274 PolarHBondContact O-N 3.41Å |
| 271 | L | 98.1 | Very high | 97.7 | Very high | 125 Ų | 125 | 100.4 Ų | 100.4 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.2 | -44.6 | 176.7 | -177.6 | 63 | 0 | 0 | 0 | 111.2 | L267 K268 Q273 V274 F275 | L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 2.9Å; K268-L271 PolarHBondContact O-N 3.38Å; L271-Q273 PolarHBondContact O-N 2.85Å; L271-V274 PolarHBondContact O-N 2.99Å; L271-F275 WeakPolarHBondContact O-CB 3.36Å; L271-F275 PolarHBondContact O-N 3.45Å |
| 272 | H | 97.6 | Very high | 97.6 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.4 | -172.9 | 58.5 | 0 | 0 | 0 | 112.7 | K268 N269 H270 F275 K276 | K268-H272 WeakPolarHBondContact O-CB 3.35Å; K268-H272 PolarHBondContact O-N 3.48Å; N269-H272 PolarHBondContact O-N 3.47Å; H270-H272 VanDerWaalsContact C-N 3.31Å; H270-H272 PolarHBondContact O-N 2.98Å; H272-F275 PolarHBondContact O-N 3.47Å; H272-K276 VanDerWaalsContact CE1-CE 3.42Å; H272-K276 WeakPolarHBondContact CE1-CE 3.4Å; H272-K276 WeakPolarHBondContact NE2-CE 3.48Å; H272-K276 PolarHBondContact NE2-NZ 3.04Å; H272-K276 VanDerWaalsContact NE2-NZ 3.19Å; H272-K276 WeakPolarHBondContact O-CB 3.22Å; H272-K276 WeakPolarHBondContact O-CG 3.42Å; H272-K276 PolarHBondContact O-N 3.2Å |
| 273 | Q | 97.7 | Very high | 97.6 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 176.5 | -72.1 | 174.6 | 19 | 0 | 0 | 111.8 | N269 H270 L271 F275 K276 F277 | N269-Q273 WeakPolarHBondContact O-CG 3.32Å; N269-Q273 PolarHBondContact O-N 3.34Å; H270-Q273 PolarHBondContact O-N 3.26Å; L271-Q273 PolarHBondContact O-N 2.85Å; Q273-F275 VanDerWaalsContact C-N 3.33Å; Q273-F275 PolarHBondContact O-N 2.87Å; Q273-K276 PolarHBondContact O-N 3.37Å; Q273-F277 WeakPolarHBondContact O-CB 3.26Å; Q273-F277 PolarHBondContact O-N 2.89Å |
| 274 | V | 97.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 177 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | H270 L271 F277 S278 | H270-V274 WeakPolarHBondContact O-CG2 3.28Å; H270-V274 PolarHBondContact O-N 3.41Å; L271-V274 PolarHBondContact O-N 2.99Å; V274-F277 PolarHBondContact O-N 3.19Å; V274-S278 WeakPolarHBondContact O-CB 3.35Å; V274-S278 PolarHBondContact O-N 2.89Å; V274-S278 PolarHBondContact O-OG 3.48Å |
| 275 | F | 97.4 | Very high | 97.5 | Very high | 130 Ų | 130 | 106.3 Ų | 106.3 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -47.1 | 177.5 | -170.7 | -90.9 | 0 | 0 | 0 | 111.8 | L271 H272 Q273 F277 S278 E279 | L271-F275 WeakPolarHBondContact O-CB 3.36Å; L271-F275 PolarHBondContact O-N 3.45Å; H272-F275 PolarHBondContact O-N 3.47Å; Q273-F275 VanDerWaalsContact C-N 3.33Å; Q273-F275 PolarHBondContact O-N 2.87Å; F275-F277 PolarHBondContact O-N 2.98Å; F275-S278 PolarHBondContact O-N 2.92Å; F275-S278 PolarHBondContact O-OG 3.35Å; F275-E279 WeakPolarHBondContact O-CB 3.43Å; F275-E279 PolarHBondContact O-N 3.28Å |
| 276 | K | 97.5 | Very high | 97.5 | Very high | 105 Ų | 105 | 108.1 Ų | 108.1 | 46% | 0.457 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.3 | -77.5 | -179.9 | 168.4 | 179.2 | 0 | 112.3 | H272 Q273 I280 | H272-K276 VanDerWaalsContact CE1-CE 3.42Å; H272-K276 WeakPolarHBondContact CE1-CE 3.4Å; H272-K276 WeakPolarHBondContact NE2-CE 3.48Å; H272-K276 PolarHBondContact NE2-NZ 3.04Å; H272-K276 VanDerWaalsContact NE2-NZ 3.19Å; H272-K276 WeakPolarHBondContact O-CB 3.22Å; H272-K276 WeakPolarHBondContact O-CG 3.42Å; H272-K276 PolarHBondContact O-N 3.2Å; Q273-K276 PolarHBondContact O-N 3.37Å; K276-I280 WeakPolarHBondContact O-CB 3.48Å; K276-I280 WeakPolarHBondContact O-CD1 3.43Å; K276-I280 WeakPolarHBondContact O-CG1 3.21Å; K276-I280 PolarHBondContact O-N 3.35Å |
| 277 | F | 97.5 | Very high | 97.5 | Very high | 152 Ų | 152 | 108.5 Ų | 108.5 | 67% | 0.667 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 178.8 | 179.6 | -97.6 | 0 | 0 | 0 | 111.7 | Q273 V274 F275 I280 S281 | Q273-F277 WeakPolarHBondContact O-CB 3.26Å; Q273-F277 PolarHBondContact O-N 2.89Å; V274-F277 PolarHBondContact O-N 3.19Å; F275-F277 PolarHBondContact O-N 2.98Å; F277-I280 PolarHBondContact O-N 3.48Å; F277-S281 VanDerWaalsContact O-CB 3.28Å; F277-S281 WeakPolarHBondContact O-CB 3.33Å; F277-S281 PolarHBondContact O-N 2.81Å |
| 278 | S | 96.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 108.3 Ų | 108.3 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 179.1 | 71 | 0 | 0 | 0 | 0 | 111.6 | V274 F275 S281 L282 | V274-S278 WeakPolarHBondContact O-CB 3.35Å; V274-S278 PolarHBondContact O-N 2.89Å; V274-S278 PolarHBondContact O-OG 3.48Å; F275-S278 PolarHBondContact O-N 2.92Å; F275-S278 PolarHBondContact O-OG 3.35Å; S278-S281 PolarHBondContact O-N 3.48Å; S278-L282 VanDerWaalsContact O-CB 3.26Å; S278-L282 WeakPolarHBondContact O-CB 3.44Å; S278-L282 PolarHBondContact O-N 2.92Å |
| 279 | E | 97.6 | Very high | 97.4 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.6 | -173.4 | 177.6 | -159.4 | 0 | 0 | 111.4 | F275 L282 L283 | F275-E279 WeakPolarHBondContact O-CB 3.43Å; F275-E279 PolarHBondContact O-N 3.28Å; E279-L282 PolarHBondContact O-N 3.46Å; E279-L283 VanDerWaalsContact O-CB 3.31Å; E279-L283 WeakPolarHBondContact O-CB 3.37Å; E279-L283 PolarHBondContact O-N 3.39Å |
| 280 | I | 97.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 105.4 Ų | 105.4 | 61% | 0.605 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 176 | -67.4 | 166.1 | 0 | 0 | 0 | 110.9 | K276 F277 L283 R284 | K276-I280 WeakPolarHBondContact O-CB 3.48Å; K276-I280 WeakPolarHBondContact O-CD1 3.43Å; K276-I280 WeakPolarHBondContact O-CG1 3.21Å; K276-I280 PolarHBondContact O-N 3.35Å; F277-I280 PolarHBondContact O-N 3.48Å; I280-L283 PolarHBondContact O-N 2.93Å; I280-R284 WeakPolarHBondContact O-CB 3.38Å; I280-R284 PolarHBondContact O-N 2.74Å |
| 281 | S | 96.9 | Very high | 97.3 | Very high | 37 Ų | 37 | 106.1 Ų | 106.1 | 26% | 0.259 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 112 | F277 S278 R284 T285 | F277-S281 VanDerWaalsContact O-CB 3.28Å; F277-S281 WeakPolarHBondContact O-CB 3.33Å; F277-S281 PolarHBondContact O-N 2.81Å; S278-S281 PolarHBondContact O-N 3.48Å; S281-R284 PolarHBondContact O-N 3.27Å; S281-T285 WeakPolarHBondContact O-CB 3.47Å; S281-T285 PolarHBondContact O-N 3.43Å; S281-T285 PolarHBondContact O-OG1 3.42Å |
| 282 | L | 97.6 | Very high | 97.3 | Very high | 129 Ų | 129 | 104.5 Ų | 104.5 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 176.1 | -172.6 | 93 | 0 | 0 | 0 | 110.6 | S278 E279 R284 T285 K286 | S278-L282 VanDerWaalsContact O-CB 3.26Å; S278-L282 WeakPolarHBondContact O-CB 3.44Å; S278-L282 PolarHBondContact O-N 2.92Å; E279-L282 PolarHBondContact O-N 3.46Å; L282-R284 PolarHBondContact O-N 2.92Å; L282-T285 PolarHBondContact O-N 2.93Å; L282-K286 WeakPolarHBondContact O-CB 3.41Å; L282-K286 PolarHBondContact O-N 3.28Å |
| 283 | L | 97.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 106 Ų | 106 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | -180 | -170.3 | 147.3 | 0 | 0 | 0 | 111.3 | E279 I280 K286 Q287 | E279-L283 VanDerWaalsContact O-CB 3.31Å; E279-L283 WeakPolarHBondContact O-CB 3.37Å; E279-L283 PolarHBondContact O-N 3.39Å; I280-L283 PolarHBondContact O-N 2.93Å; L283-K286 PolarHBondContact O-N 3.38Å; L283-Q287 HydrophobicContact CD2-CG 4.32Å; L283-Q287 VanDerWaalsContact CD2-NE2 3.31Å; L283-Q287 WeakPolarHBondContact O-CB 3.34Å; L283-Q287 WeakPolarHBondContact O-CG 3.31Å; L283-Q287 PolarHBondContact O-N 3.47Å |
| 284 | R | 97.4 | Very high | 97.2 | Very high | 171 Ų | 171 | 106.5 Ų | 106.5 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 174 | -175.1 | -177 | 69.7 | 165.3 | 1.1 | 111.7 | I280 S281 L282 K286 Q287 E288 | I280-R284 WeakPolarHBondContact O-CB 3.38Å; I280-R284 PolarHBondContact O-N 2.74Å; S281-R284 PolarHBondContact O-N 3.27Å; L282-R284 PolarHBondContact O-N 2.92Å; R284-K286 VanDerWaalsContact C-N 3.34Å; R284-K286 PolarHBondContact O-N 2.94Å; R284-Q287 PolarHBondContact O-N 2.86Å; R284-E288 WeakPolarHBondContact O-CB 3.41Å; R284-E288 PolarHBondContact O-N 2.88Å |
| 285 | T | 96.9 | Very high | 97.2 | Very high | 84 Ų | 84 | 106 Ų | 106 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -179.2 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | S281 L282 E288 A289 | S281-T285 WeakPolarHBondContact O-CB 3.47Å; S281-T285 PolarHBondContact O-N 3.43Å; S281-T285 PolarHBondContact O-OG1 3.42Å; L282-T285 PolarHBondContact O-N 2.93Å; T285-E288 PolarHBondContact O-N 3.26Å; T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 3.18Å |
| 286 | K | 97.6 | Very high | 97.2 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 175.2 | -177.7 | 179.3 | 175 | -178.6 | 0 | 111.6 | L282 L283 R284 E288 A289 E290 | L282-K286 WeakPolarHBondContact O-CB 3.41Å; L282-K286 PolarHBondContact O-N 3.28Å; L283-K286 PolarHBondContact O-N 3.38Å; R284-K286 VanDerWaalsContact C-N 3.34Å; R284-K286 PolarHBondContact O-N 2.94Å; K286-E288 VanDerWaalsContact C-N 3.31Å; K286-E288 PolarHBondContact O-N 3.44Å; K286-A289 PolarHBondContact O-N 3.47Å; K286-E290 WeakPolarHBondContact CE-OE1 3.43Å; K286-E290 WeakPolarHBondContact O-CG 3.49Å; K286-E290 PolarHBondContact O-N 3.31Å |
| 287 | Q | 97.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 105.5 Ų | 105.5 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 178.4 | -75.4 | -178.8 | -4.5 | 0 | 0 | 112.3 | L283 R284 E290 K291 | L283-Q287 HydrophobicContact CD2-CG 4.32Å; L283-Q287 VanDerWaalsContact CD2-NE2 3.31Å; L283-Q287 WeakPolarHBondContact O-CB 3.34Å; L283-Q287 WeakPolarHBondContact O-CG 3.31Å; L283-Q287 PolarHBondContact O-N 3.47Å; R284-Q287 PolarHBondContact O-N 2.86Å; Q287-E290 PolarHBondContact O-N 3.33Å; Q287-K291 VanDerWaalsContact O-CG 3.32Å; Q287-K291 WeakPolarHBondContact O-CG 3.32Å; Q287-K291 PolarHBondContact O-N 2.92Å |
| 288 | E | 96.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 177.7 | -163.7 | 59.5 | -157.2 | 0 | 0 | 111.6 | R284 T285 K286 E290 K291 Q292 | R284-E288 WeakPolarHBondContact O-CB 3.41Å; R284-E288 PolarHBondContact O-N 2.88Å; T285-E288 PolarHBondContact O-N 3.26Å; K286-E288 VanDerWaalsContact C-N 3.31Å; K286-E288 PolarHBondContact O-N 3.44Å; E288-E290 VanDerWaalsContact C-N 3.35Å; E288-E290 PolarHBondContact O-N 2.96Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 IonicContact OE2-NZ 3.83Å; E288-Q292 WeakPolarHBondContact O-CB 3.29Å; E288-Q292 PolarHBondContact O-N 3.44Å |
| 289 | A | 96.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 106.2 Ų | 106.2 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | T285 K286 Q292 Q293 | T285-A289 WeakPolarHBondContact O-CB 3.37Å; T285-A289 PolarHBondContact O-N 3.18Å; K286-A289 PolarHBondContact O-N 3.47Å; A289-Q292 PolarHBondContact O-N 3.15Å; A289-Q293 VanDerWaalsContact O-CB 3.29Å; A289-Q293 WeakPolarHBondContact O-CB 3.31Å; A289-Q293 PolarHBondContact O-N 3.12Å |
| 290 | E | 97.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 103.3 Ų | 103.3 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.2 | -75.8 | 178 | -169.4 | 0 | 0 | 112.5 | K286 Q287 E288 K294 | K286-E290 WeakPolarHBondContact CE-OE1 3.43Å; K286-E290 WeakPolarHBondContact O-CG 3.49Å; K286-E290 PolarHBondContact O-N 3.31Å; Q287-E290 PolarHBondContact O-N 3.33Å; E288-E290 VanDerWaalsContact C-N 3.35Å; E288-E290 PolarHBondContact O-N 2.96Å; E290-K294 VanDerWaalsContact O-CG 3.31Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.02Å |
| 291 | K | 97.5 | Very high | 97.2 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 174 | -74.7 | 173.4 | -170.8 | 169.9 | 0 | 110.7 | Q287 E288 Q293 K294 V295 | Q287-K291 VanDerWaalsContact O-CG 3.32Å; Q287-K291 WeakPolarHBondContact O-CG 3.32Å; Q287-K291 PolarHBondContact O-N 2.92Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 IonicContact OE2-NZ 3.83Å; K291-Q293 VanDerWaalsContact C-N 3.34Å; K291-Q293 PolarHBondContact O-N 3.45Å; K291-K294 PolarHBondContact O-N 2.98Å; K291-V295 WeakPolarHBondContact O-CG2 3.13Å; K291-V295 PolarHBondContact O-N 3.02Å |
| 292 | Q | 96.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 179 | -172.9 | 56.5 | 40.8 | 0 | 0 | 111 | E288 A289 K294 V295 D296 | E288-Q292 WeakPolarHBondContact O-CB 3.29Å; E288-Q292 PolarHBondContact O-N 3.44Å; A289-Q292 PolarHBondContact O-N 3.15Å; Q292-K294 VanDerWaalsContact C-N 3.31Å; Q292-K294 PolarHBondContact O-N 2.86Å; Q292-V295 PolarHBondContact O-N 3.47Å; Q292-V295 VanDerWaalsContact O-N 3.12Å; Q292-D296 VanDerWaalsContact NE2-CG 3.35Å; Q292-D296 PolarHBondContact NE2-OD1 3.38Å; Q292-D296 PolarHBondContact NE2-OD2 3.06Å; Q292-D296 VanDerWaalsContact NE2-OD2 3.15Å; Q292-D296 PolarHBondContact O-N 3.32Å |
| 293 | Q | 97.1 | Very high | 97.2 | Very high | 137 Ų | 137 | 104.3 Ų | 104.3 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.6 | -43.2 | 175 | -173.7 | -173.3 | 21.9 | 0 | 0 | 112.2 | A289 K291 D296 Y297 | A289-Q293 VanDerWaalsContact O-CB 3.29Å; A289-Q293 WeakPolarHBondContact O-CB 3.31Å; A289-Q293 PolarHBondContact O-N 3.12Å; K291-Q293 VanDerWaalsContact C-N 3.34Å; K291-Q293 PolarHBondContact O-N 3.45Å; Q293-D296 PolarHBondContact O-N 2.84Å; Q293-Y297 WeakPolarHBondContact O-CB 3.47Å; Q293-Y297 PolarHBondContact O-N 2.84Å |
| 294 | K | 97.3 | Very high | 97.2 | Very high | 133 Ų | 133 | 104.5 Ų | 104.5 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 177.3 | -74.5 | 171.7 | -175.4 | 172.8 | 0 | 112.2 | E290 K291 Q292 R298 | E290-K294 VanDerWaalsContact O-CG 3.31Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.02Å; K291-K294 PolarHBondContact O-N 2.98Å; Q292-K294 VanDerWaalsContact C-N 3.31Å; Q292-K294 PolarHBondContact O-N 2.86Å; K294-R298 WeakPolarHBondContact O-CG 3.22Å; K294-R298 PolarHBondContact O-N 3.28Å; K294-R298 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 97.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | K291 Q292 Y297 R298 A299 | K291-V295 WeakPolarHBondContact O-CG2 3.13Å; K291-V295 PolarHBondContact O-N 3.02Å; Q292-V295 PolarHBondContact O-N 3.47Å; Q292-V295 VanDerWaalsContact O-N 3.12Å; V295-Y297 VanDerWaalsContact C-N 3.32Å; V295-Y297 PolarHBondContact O-N 3.45Å; V295-R298 PolarHBondContact O-N 3.47Å; V295-A299 WeakPolarHBondContact O-CB 3.36Å; V295-A299 PolarHBondContact O-N 3.03Å |
| 296 | D | 96.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | -179.9 | -69.7 | -26.4 | 0 | 0 | 0 | 112 | Q292 Q293 A299 S300 | Q292-D296 VanDerWaalsContact NE2-CG 3.35Å; Q292-D296 PolarHBondContact NE2-OD1 3.38Å; Q292-D296 PolarHBondContact NE2-OD2 3.06Å; Q292-D296 VanDerWaalsContact NE2-OD2 3.15Å; Q292-D296 PolarHBondContact O-N 3.32Å; Q293-D296 PolarHBondContact O-N 2.84Å; D296-A299 PolarHBondContact O-N 3.4Å; D296-S300 VanDerWaalsContact O-CB 3.31Å; D296-S300 WeakPolarHBondContact O-CB 3.41Å; D296-S300 PolarHBondContact O-N 3.1Å |
| 297 | Y | 97.3 | Very high | 97.3 | Very high | 146 Ų | 146 | 99.4 Ų | 99.4 | 57% | 0.573 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 174.4 | -177.5 | -102.9 | 0 | 0 | 0 | 111.7 | Q293 V295 S300 Q301 | Q293-Y297 WeakPolarHBondContact O-CB 3.47Å; Q293-Y297 PolarHBondContact O-N 2.84Å; V295-Y297 VanDerWaalsContact C-N 3.32Å; V295-Y297 PolarHBondContact O-N 3.45Å; Y297-S300 WeakPolarHBondContact O-CB 3.31Å; Y297-S300 PolarHBondContact O-N 3.41Å; Y297-Q301 HydrophobicContact CD1-CG 4.39Å; Y297-Q301 VanDerWaalsContact CE1-CD 3.42Å; Y297-Q301 HydrophobicContact CE1-CG 4.01Å; Y297-Q301 WeakPolarHBondContact O-CG 3.18Å; Y297-Q301 PolarHBondContact O-N 3.16Å; Y297-Q301 PolarHBondContact OH-NE2 2.93Å |
| 298 | R | 97.4 | Very high | 97.3 | Very high | 185 Ų | 185 | 100.6 Ų | 100.6 | 70% | 0.698 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 176.1 | -73.8 | 177.2 | 179.3 | 179.2 | -0 | 112.1 | K294 V295 S300 Q301 A302 | K294-R298 WeakPolarHBondContact O-CG 3.22Å; K294-R298 PolarHBondContact O-N 3.28Å; K294-R298 VanDerWaalsContact O-N 3.1Å; V295-R298 PolarHBondContact O-N 3.47Å; R298-S300 VanDerWaalsContact C-N 3.3Å; R298-S300 PolarHBondContact O-N 2.88Å; R298-Q301 PolarHBondContact O-N 3.47Å; R298-A302 WeakPolarHBondContact O-CB 3.47Å; R298-A302 PolarHBondContact O-N 3.39Å |
| 299 | A | 97.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 101.2 Ų | 101.2 | 31% | 0.314 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V295 D296 A302 R303 | V295-A299 WeakPolarHBondContact O-CB 3.36Å; V295-A299 PolarHBondContact O-N 3.03Å; D296-A299 PolarHBondContact O-N 3.4Å; A299-A302 PolarHBondContact O-N 2.88Å; A299-R303 WeakPolarHBondContact O-CG 3.47Å; A299-R303 PolarHBondContact O-N 3.22Å |
| 300 | S | 96.1 | Very high | 97.4 | Very high | 50 Ų | 50 | 102.5 Ų | 102.5 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.2 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | D296 Y297 R298 A302 R303 L304 | D296-S300 VanDerWaalsContact O-CB 3.31Å; D296-S300 WeakPolarHBondContact O-CB 3.41Å; D296-S300 PolarHBondContact O-N 3.1Å; Y297-S300 WeakPolarHBondContact O-CB 3.31Å; Y297-S300 PolarHBondContact O-N 3.41Å; R298-S300 VanDerWaalsContact C-N 3.3Å; R298-S300 PolarHBondContact O-N 2.88Å; S300-A302 VanDerWaalsContact C-N 3.33Å; S300-A302 PolarHBondContact O-N 2.92Å; S300-R303 WeakPolarHBondContact O-CB 3.48Å; S300-R303 PolarHBondContact O-N 2.89Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 2.94Å |
| 301 | Q | 98 | Very high | 97.4 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.4 | -76.3 | -169.4 | -25 | 0 | 0 | 112.3 | Y297 R298 R303 L304 A305 | Y297-Q301 HydrophobicContact CD1-CG 4.39Å; Y297-Q301 VanDerWaalsContact CE1-CD 3.42Å; Y297-Q301 HydrophobicContact CE1-CG 4.01Å; Y297-Q301 WeakPolarHBondContact O-CG 3.18Å; Y297-Q301 PolarHBondContact O-N 3.16Å; Y297-Q301 PolarHBondContact OH-NE2 2.93Å; R298-Q301 PolarHBondContact O-N 3.47Å; Q301-R303 VanDerWaalsContact C-N 3.35Å; Q301-R303 PolarHBondContact O-N 2.97Å; Q301-L304 PolarHBondContact O-N 2.99Å; Q301-A305 PolarHBondContact O-N 3.46Å |
| 302 | A | 97.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 101.5 Ų | 101.5 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R298 A299 S300 A305 K306 | R298-A302 WeakPolarHBondContact O-CB 3.47Å; R298-A302 PolarHBondContact O-N 3.39Å; A299-A302 PolarHBondContact O-N 2.88Å; S300-A302 VanDerWaalsContact C-N 3.33Å; S300-A302 PolarHBondContact O-N 2.92Å; A302-A305 PolarHBondContact O-N 3.28Å; A302-K306 WeakPolarHBondContact O-CB 3.36Å; A302-K306 PolarHBondContact O-N 3.31Å |
| 303 | R | 97.6 | Very high | 97.5 | Very high | 149 Ų | 149 | 99.8 Ų | 99.8 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 174 | -75.9 | -174.6 | -72.8 | -120.6 | 0.8 | 112 | A299 S300 Q301 K306 I307 | A299-R303 WeakPolarHBondContact O-CG 3.47Å; A299-R303 PolarHBondContact O-N 3.22Å; S300-R303 WeakPolarHBondContact O-CB 3.48Å; S300-R303 PolarHBondContact O-N 2.89Å; S300-R303 VanDerWaalsContact O-N 3.16Å; Q301-R303 VanDerWaalsContact C-N 3.35Å; Q301-R303 PolarHBondContact O-N 2.97Å; R303-K306 PolarHBondContact O-N 3.46Å; R303-I307 WeakPolarHBondContact O-CG1 3.49Å; R303-I307 PolarHBondContact O-N 2.88Å |
| 304 | L | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.8 | -73.4 | 173.3 | 0 | 0 | 0 | 111.4 | S300 Q301 K306 I307 Q308 | S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 2.94Å; Q301-L304 PolarHBondContact O-N 2.99Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.43Å; L304-I307 PolarHBondContact O-N 2.87Å; L304-Q308 WeakPolarHBondContact O-CB 3.43Å; L304-Q308 VanDerWaalsContact O-CG 3.26Å; L304-Q308 WeakPolarHBondContact O-CG 3.47Å; L304-Q308 PolarHBondContact O-N 2.75Å |
| 305 | A | 97.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q301 A302 Q308 Q309 | Q301-A305 PolarHBondContact O-N 3.46Å; A302-A305 PolarHBondContact O-N 3.28Å; A305-Q308 PolarHBondContact O-N 2.92Å; A305-Q309 PolarHBondContact O-N 3.22Å |
| 306 | K | 98.1 | Very high | 97.6 | Very high | 138 Ų | 138 | 99.2 Ų | 99.2 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -49.3 | 175.9 | -171.6 | -175.8 | 179.8 | -165 | 0 | 111.8 | A302 R303 L304 Q308 Q309 E310 | A302-K306 WeakPolarHBondContact O-CB 3.36Å; A302-K306 PolarHBondContact O-N 3.31Å; R303-K306 PolarHBondContact O-N 3.46Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.43Å; K306-Q308 VanDerWaalsContact C-N 3.34Å; K306-Q308 PolarHBondContact O-N 3.29Å; K306-Q309 WeakPolarHBondContact O-CB 3.41Å; K306-Q309 PolarHBondContact O-N 2.98Å; K306-E310 WeakPolarHBondContact CE-OE1 3.29Å; K306-E310 IonicContact NZ-OE1 3.94Å; K306-E310 WeakPolarHBondContact O-CG 3.49Å; K306-E310 PolarHBondContact O-N 3.42Å |
| 307 | I | 97.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 46% | 0.456 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 179.1 | -68.4 | 168 | 0 | 0 | 0 | 110.8 | R303 L304 Q309 E310 I311 | R303-I307 WeakPolarHBondContact O-CG1 3.49Å; R303-I307 PolarHBondContact O-N 2.88Å; L304-I307 PolarHBondContact O-N 2.87Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 3.25Å; I307-E310 PolarHBondContact O-N 3.4Å; I307-I311 HydrophobicContact CG2-CD1 3.92Å; I307-I311 HydrophobicContact CG2-CG1 4.39Å; I307-I311 VanDerWaalsContact O-CG1 3.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.44Å; I307-I311 PolarHBondContact O-N 3.46Å |
| 308 | Q | 98.1 | Very high | 97.7 | Very high | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 175.1 | -76.6 | 174.9 | -9.7 | 0 | 0 | 111.6 | L304 A305 K306 I311 L312 | L304-Q308 WeakPolarHBondContact O-CB 3.43Å; L304-Q308 VanDerWaalsContact O-CG 3.26Å; L304-Q308 WeakPolarHBondContact O-CG 3.47Å; L304-Q308 PolarHBondContact O-N 2.75Å; A305-Q308 PolarHBondContact O-N 2.92Å; K306-Q308 VanDerWaalsContact C-N 3.34Å; K306-Q308 PolarHBondContact O-N 3.29Å; Q308-I311 PolarHBondContact O-N 2.87Å; Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.35Å |
| 309 | Q | 97.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.2 | -173.5 | 62.2 | 22.9 | 0 | 0 | 111.5 | A305 K306 I307 I311 L312 T313 | A305-Q309 PolarHBondContact O-N 3.22Å; K306-Q309 WeakPolarHBondContact O-CB 3.41Å; K306-Q309 PolarHBondContact O-N 2.98Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 3.25Å; Q309-I311 VanDerWaalsContact C-N 3.34Å; Q309-I311 PolarHBondContact O-N 3.33Å; Q309-L312 PolarHBondContact O-N 3.23Å; Q309-T313 WeakPolarHBondContact O-CG2 3.34Å; Q309-T313 PolarHBondContact O-N 2.91Å; Q309-T313 PolarHBondContact O-OG1 3.18Å |
| 310 | E | 97.8 | Very high | 97.7 | Very high | 86 Ų | 86 | 100.8 Ų | 100.8 | 40% | 0.402 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 175.9 | -73.7 | 170.8 | -172.9 | 0 | 0 | 111.3 | K306 I307 L312 T313 L314 | K306-E310 WeakPolarHBondContact CE-OE1 3.29Å; K306-E310 IonicContact NZ-OE1 3.94Å; K306-E310 WeakPolarHBondContact O-CG 3.49Å; K306-E310 PolarHBondContact O-N 3.42Å; I307-E310 PolarHBondContact O-N 3.4Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 2.88Å; E310-T313 WeakPolarHBondContact CA-OG1 3.4Å; E310-T313 PolarHBondContact O-N 3.43Å; E310-T313 PolarHBondContact O-OG1 3.38Å; E310-L314 WeakPolarHBondContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.37Å; E310-L314 PolarHBondContact O-N 3.27Å |
| 311 | I | 98 | Very high | 97.8 | Very high | 76 Ų | 76 | 103 Ų | 103 | 39% | 0.39 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 175.3 | -71.3 | 167.5 | 0 | 0 | 0 | 111.2 | I307 Q308 Q309 L314 R315 | I307-I311 HydrophobicContact CG2-CD1 3.92Å; I307-I311 HydrophobicContact CG2-CG1 4.39Å; I307-I311 VanDerWaalsContact O-CG1 3.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.44Å; I307-I311 PolarHBondContact O-N 3.46Å; Q308-I311 PolarHBondContact O-N 2.87Å; Q309-I311 VanDerWaalsContact C-N 3.34Å; Q309-I311 PolarHBondContact O-N 3.33Å; I311-L314 PolarHBondContact O-N 3.04Å; I311-R315 HydrophobicContact CG2-CG 4.42Å; I311-R315 WeakPolarHBondContact O-CB 3.26Å; I311-R315 VanDerWaalsContact O-CG 3.24Å; I311-R315 WeakPolarHBondContact O-CG 3.39Å; I311-R315 PolarHBondContact O-N 3.49Å |
| 312 | L | 97.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 179 | -70 | 175.4 | 0 | 0 | 0 | 111.7 | Q308 Q309 E310 R315 S316 | Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.35Å; Q309-L312 PolarHBondContact O-N 3.23Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 2.88Å; L312-R315 PolarHBondContact O-N 3.47Å; L312-S316 PolarHBondContact O-N 2.89Å |
| 313 | T | 97.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 112 | Q309 E310 R315 S316 Q317 | Q309-T313 WeakPolarHBondContact O-CG2 3.34Å; Q309-T313 PolarHBondContact O-N 2.91Å; Q309-T313 PolarHBondContact O-OG1 3.18Å; E310-T313 WeakPolarHBondContact CA-OG1 3.4Å; E310-T313 PolarHBondContact O-N 3.43Å; E310-T313 PolarHBondContact O-OG1 3.38Å; T313-R315 PolarHBondContact O-N 3Å; T313-S316 PolarHBondContact O-N 3.37Å; T313-Q317 WeakPolarHBondContact O-CG 3.28Å; T313-Q317 PolarHBondContact O-N 2.91Å |
| 314 | L | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 177 | -78.8 | 165.2 | 0 | 0 | 0 | 111.9 | E310 I311 S316 Q317 Y318 | E310-L314 WeakPolarHBondContact O-CB 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.37Å; E310-L314 PolarHBondContact O-N 3.27Å; I311-L314 PolarHBondContact O-N 3.04Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 2.84Å; L314-Q317 PolarHBondContact O-N 3.47Å; L314-Y318 VanDerWaalsContact O-CB 3.28Å; L314-Y318 WeakPolarHBondContact O-CB 3.47Å; L314-Y318 PolarHBondContact O-N 3.46Å |
| 315 | R | 98.1 | Very high | 97.7 | Very high | 173 Ų | 173 | 100.4 Ų | 100.4 | 65% | 0.653 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 174.2 | -78.4 | 175.9 | 177.6 | -171.4 | 0.4 | 111.9 | I311 L312 T313 H319 | I311-R315 HydrophobicContact CG2-CG 4.42Å; I311-R315 WeakPolarHBondContact O-CB 3.26Å; I311-R315 VanDerWaalsContact O-CG 3.24Å; I311-R315 WeakPolarHBondContact O-CG 3.39Å; I311-R315 PolarHBondContact O-N 3.49Å; L312-R315 PolarHBondContact O-N 3.47Å; T313-R315 PolarHBondContact O-N 3Å; R315-H319 WeakPolarHBondContact O-CB 3.47Å; R315-H319 PolarHBondContact O-N 3.5Å |
| 316 | S | 97.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | L312 T313 L314 Y318 H319 N320 | L312-S316 PolarHBondContact O-N 2.89Å; T313-S316 PolarHBondContact O-N 3.37Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 2.84Å; S316-Y318 PolarHBondContact O-N 2.86Å; S316-H319 PolarHBondContact O-N 3.18Å; S316-N320 WeakPolarHBondContact O-CB 3.33Å; S316-N320 PolarHBondContact O-N 3.38Å; S316-N320 PolarHBondContact O-ND2 3.27Å; S316-N320 PolarHBondContact O-OD1 3.42Å |
| 317 | Q | 97.7 | Very high | 97.6 | Very high | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.8 | -73 | 174 | -0 | 0 | 0 | 111.9 | T313 L314 H319 N320 L321 | T313-Q317 WeakPolarHBondContact O-CG 3.28Å; T313-Q317 PolarHBondContact O-N 2.91Å; L314-Q317 PolarHBondContact O-N 3.47Å; Q317-H319 PolarHBondContact O-N 3.33Å; Q317-N320 PolarHBondContact O-N 3.4Å; Q317-L321 WeakPolarHBondContact O-CG 3.4Å; Q317-L321 PolarHBondContact O-N 2.9Å |
| 318 | Y | 97.9 | Very high | 97.6 | Very high | 167 Ų | 167 | 103.1 Ų | 103.1 | 66% | 0.655 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 175.6 | 174.9 | -98.9 | 0 | 0 | 0 | 111.5 | L314 S316 N320 L321 V322 | L314-Y318 VanDerWaalsContact O-CB 3.28Å; L314-Y318 WeakPolarHBondContact O-CB 3.47Å; L314-Y318 PolarHBondContact O-N 3.46Å; S316-Y318 PolarHBondContact O-N 2.86Å; Y318-N320 PolarHBondContact O-N 3.26Å; Y318-L321 PolarHBondContact O-N 2.96Å; Y318-V322 HydrophobicContact CD1-CG2 4.3Å; Y318-V322 HydrophobicContact CD2-CG2 4.41Å; Y318-V322 HydrophobicContact CE1-CG2 3.87Å; Y318-V322 HydrophobicContact CE2-CG2 3.99Å; Y318-V322 VanDerWaalsContact O-CG2 3.28Å; Y318-V322 WeakPolarHBondContact O-CG2 3.48Å; Y318-V322 PolarHBondContact O-N 3.37Å |
| 319 | H | 98 | Very high | 97.5 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178 | -174.3 | 66.9 | 0 | 0 | 0 | 111.8 | R315 S316 Q317 V322 M323 | R315-H319 WeakPolarHBondContact O-CB 3.47Å; R315-H319 PolarHBondContact O-N 3.5Å; S316-H319 PolarHBondContact O-N 3.18Å; Q317-H319 PolarHBondContact O-N 3.33Å; H319-V322 PolarHBondContact O-N 2.96Å; H319-M323 WeakPolarHBondContact O-CG 3.27Å; H319-M323 PolarHBondContact O-N 2.95Å |
| 320 | N | 97.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 178 | -67.5 | -11.2 | 0 | 0 | 0 | 111.6 | S316 Q317 Y318 V322 M323 E324 | S316-N320 WeakPolarHBondContact O-CB 3.33Å; S316-N320 PolarHBondContact O-N 3.38Å; S316-N320 PolarHBondContact O-ND2 3.27Å; S316-N320 PolarHBondContact O-OD1 3.42Å; Q317-N320 PolarHBondContact O-N 3.4Å; Y318-N320 PolarHBondContact O-N 3.26Å; N320-V322 VanDerWaalsContact C-N 3.33Å; N320-V322 PolarHBondContact O-N 3.47Å; N320-M323 PolarHBondContact O-N 3.5Å; N320-E324 WeakPolarHBondContact O-CB 3.42Å; N320-E324 PolarHBondContact O-N 3.11Å |
| 321 | L | 97.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.6 | -78.7 | 167.6 | 0 | 0 | 0 | 112.4 | Q317 Y318 M323 N325 | Q317-L321 WeakPolarHBondContact O-CG 3.4Å; Q317-L321 PolarHBondContact O-N 2.9Å; Y318-L321 PolarHBondContact O-N 2.96Å; L321-M323 VanDerWaalsContact C-N 3.34Å; L321-N325 VanDerWaalsContact O-CB 3.27Å; L321-N325 WeakPolarHBondContact O-CB 3.23Å; L321-N325 VanDerWaalsContact O-CG 3.24Å; L321-N325 PolarHBondContact O-N 2.95Å; L321-N325 PolarHBondContact O-ND2 3.25Å; L321-N325 VanDerWaalsContact O-ND2 3.11Å |
| 322 | V | 98.1 | Very high | 97.3 | Very high | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.37 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | Y318 H319 N320 R326 | Y318-V322 HydrophobicContact CD1-CG2 4.3Å; Y318-V322 HydrophobicContact CD2-CG2 4.41Å; Y318-V322 HydrophobicContact CE1-CG2 3.87Å; Y318-V322 HydrophobicContact CE2-CG2 3.99Å; Y318-V322 VanDerWaalsContact O-CG2 3.28Å; Y318-V322 WeakPolarHBondContact O-CG2 3.48Å; Y318-V322 PolarHBondContact O-N 3.37Å; H319-V322 PolarHBondContact O-N 2.96Å; N320-V322 VanDerWaalsContact C-N 3.33Å; N320-V322 PolarHBondContact O-N 3.47Å; V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.28Å; V322-R326 PolarHBondContact O-N 3.48Å |
| 323 | M | 96.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 102.3 Ų | 102.3 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 178.4 | -68.6 | -56.4 | -63.8 | 0 | 0 | 112 | H319 N320 L321 N325 R326 E327 | H319-M323 WeakPolarHBondContact O-CG 3.27Å; H319-M323 PolarHBondContact O-N 2.95Å; N320-M323 PolarHBondContact O-N 3.5Å; L321-M323 VanDerWaalsContact C-N 3.34Å; M323-N325 PolarHBondContact O-N 2.96Å; M323-R326 WeakPolarHBondContact O-CB 3.33Å; M323-R326 PolarHBondContact O-N 3.46Å; M323-E327 WeakPolarHBondContact O-CG 3.37Å; M323-E327 PolarHBondContact O-N 3.16Å |
| 324 | E | 96.7 | Very high | 97.3 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 176.4 | -176.4 | 178.7 | -173.3 | 0 | 0 | 111.2 | N320 R326 E327 V328 | N320-E324 WeakPolarHBondContact O-CB 3.42Å; N320-E324 PolarHBondContact O-N 3.11Å; E324-R326 VanDerWaalsContact C-N 3.29Å; E324-R326 PolarHBondContact O-N 2.89Å; E324-E327 PolarHBondContact O-N 2.93Å; E324-E327 VanDerWaalsContact O-N 3.16Å; E324-V328 WeakPolarHBondContact O-CG2 3.32Å; E324-V328 PolarHBondContact O-N 3.19Å |
| 325 | N | 96.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 107.7 Ų | 107.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 176.7 | -77.2 | -32.5 | 0 | 0 | 0 | 111.9 | L321 M323 V328 E329 | L321-N325 VanDerWaalsContact O-CB 3.27Å; L321-N325 WeakPolarHBondContact O-CB 3.23Å; L321-N325 VanDerWaalsContact O-CG 3.24Å; L321-N325 PolarHBondContact O-N 2.95Å; L321-N325 PolarHBondContact O-ND2 3.25Å; L321-N325 VanDerWaalsContact O-ND2 3.11Å; M323-N325 PolarHBondContact O-N 2.96Å; N325-V328 PolarHBondContact O-N 3Å; N325-E329 VanDerWaalsContact O-CB 3.23Å; N325-E329 WeakPolarHBondContact O-CB 3.46Å; N325-E329 PolarHBondContact O-N 2.91Å |
| 326 | R | 97.1 | Very high | 97.2 | Very high | 141 Ų | 141 | 105.5 Ų | 105.5 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.6 | -178.3 | 179.1 | 177.8 | 171.3 | 1.9 | 111.7 | V322 M323 E324 Q330 | V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.28Å; V322-R326 PolarHBondContact O-N 3.48Å; M323-R326 WeakPolarHBondContact O-CB 3.33Å; M323-R326 PolarHBondContact O-N 3.46Å; E324-R326 VanDerWaalsContact C-N 3.29Å; E324-R326 PolarHBondContact O-N 2.89Å; R326-Q330 WeakPolarHBondContact O-CB 3.39Å; R326-Q330 VanDerWaalsContact O-CG 3.23Å; R326-Q330 WeakPolarHBondContact O-CG 3.34Å; R326-Q330 PolarHBondContact O-N 2.97Å |
| 327 | E | 96.8 | Very high | 97.2 | Very high | 124 Ų | 124 | 110.1 Ų | 110.1 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 176.9 | -73.2 | 177.1 | -177.8 | 0 | 0 | 111.8 | M323 E324 Q330 A331 | M323-E327 WeakPolarHBondContact O-CG 3.37Å; M323-E327 PolarHBondContact O-N 3.16Å; E324-E327 PolarHBondContact O-N 2.93Å; E324-E327 VanDerWaalsContact O-N 3.16Å; E327-Q330 PolarHBondContact O-N 3.35Å; E327-A331 WeakPolarHBondContact O-CB 3.31Å; E327-A331 PolarHBondContact O-N 3.39Å |
| 328 | V | 97 | Very high | 97.1 | Very high | 74 Ų | 74 | 111.2 Ų | 111.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 175 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | E324 N325 Q330 A331 L332 | E324-V328 WeakPolarHBondContact O-CG2 3.32Å; E324-V328 PolarHBondContact O-N 3.19Å; N325-V328 PolarHBondContact O-N 3Å; V328-Q330 PolarHBondContact O-N 2.83Å; V328-A331 PolarHBondContact O-N 3.49Å; V328-L332 HydrophobicContact CG1-CD1 4.13Å; V328-L332 WeakPolarHBondContact O-CG 3.43Å; V328-L332 PolarHBondContact O-N 2.64Å |
| 329 | E | 97.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 106.9 Ų | 106.9 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 177.3 | -168.7 | -159.9 | 163.9 | 0 | 0 | 111.3 | N325 A331 L332 R333 | N325-E329 VanDerWaalsContact O-CB 3.23Å; N325-E329 WeakPolarHBondContact O-CB 3.46Å; N325-E329 PolarHBondContact O-N 2.91Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-A331 PolarHBondContact O-N 3.24Å; E329-L332 PolarHBondContact O-N 3.33Å; E329-R333 WeakPolarHBondContact O-CG 3.4Å; E329-R333 PolarHBondContact O-N 3.04Å; E329-R333 IonicContact OE1-CZ 3.36Å; E329-R333 IonicContact OE1-NE 3Å; E329-R333 PolarHBondContact OE1-NE 2.85Å; E329-R333 IonicContact OE1-NH2 2.71Å; E329-R333 PolarHBondContact OE1-NH2 2.8Å |
| 330 | Q | 97 | Very high | 96.9 | Very high | 82 Ų | 82 | 106 Ų | 106 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.7 | -76.7 | 177.6 | 8.7 | 0 | 0 | 112.1 | R326 E327 V328 R333 K334 | R326-Q330 WeakPolarHBondContact O-CB 3.39Å; R326-Q330 VanDerWaalsContact O-CG 3.23Å; R326-Q330 WeakPolarHBondContact O-CG 3.34Å; R326-Q330 PolarHBondContact O-N 2.97Å; E327-Q330 PolarHBondContact O-N 3.35Å; V328-Q330 PolarHBondContact O-N 2.83Å; Q330-R333 PolarHBondContact O-N 3.25Å; Q330-K334 WeakPolarHBondContact O-CB 3.47Å; Q330-K334 VanDerWaalsContact O-CG 3.31Å; Q330-K334 WeakPolarHBondContact O-CG 3.42Å; Q330-K334 PolarHBondContact O-N 3.21Å |
| 331 | A | 96 | Very high | 96.9 | Very high | 44 Ų | 44 | 104 Ų | 104 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E327 V328 E329 K334 K335 | E327-A331 WeakPolarHBondContact O-CB 3.31Å; E327-A331 PolarHBondContact O-N 3.39Å; V328-A331 PolarHBondContact O-N 3.49Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-A331 PolarHBondContact O-N 3.24Å; A331-K334 PolarHBondContact O-N 2.87Å; A331-K335 WeakPolarHBondContact O-CG 3.23Å; A331-K335 PolarHBondContact O-N 3.43Å |
| 332 | L | 96.7 | Very high | 96.8 | Very high | 102 Ų | 102 | 104.7 Ų | 104.7 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.7 | -70.9 | 174.8 | 0 | 0 | 0 | 111.9 | V328 E329 K334 K335 K336 | V328-L332 HydrophobicContact CG1-CD1 4.13Å; V328-L332 WeakPolarHBondContact O-CG 3.43Å; V328-L332 PolarHBondContact O-N 2.64Å; E329-L332 PolarHBondContact O-N 3.33Å; L332-K334 VanDerWaalsContact C-N 3.32Å; L332-K334 PolarHBondContact O-N 3.41Å; L332-K335 PolarHBondContact O-N 2.93Å; L332-K336 WeakPolarHBondContact O-CB 3.5Å; L332-K336 PolarHBondContact O-N 2.82Å |
| 333 | R | 97.1 | Very high | 96.7 | Very high | 168 Ų | 168 | 106.1 Ų | 106.1 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 174.3 | -73.7 | -176.8 | -177.1 | -150.7 | 3.6 | 111.8 | E329 Q330 K336 Y337 | E329-R333 WeakPolarHBondContact O-CG 3.4Å; E329-R333 PolarHBondContact O-N 3.04Å; E329-R333 IonicContact OE1-CZ 3.36Å; E329-R333 IonicContact OE1-NE 3Å; E329-R333 PolarHBondContact OE1-NE 2.85Å; E329-R333 IonicContact OE1-NH2 2.71Å; E329-R333 PolarHBondContact OE1-NH2 2.8Å; Q330-R333 PolarHBondContact O-N 3.25Å; R333-K336 PolarHBondContact O-N 2.91Å; R333-Y337 WeakPolarHBondContact O-CB 3.39Å; R333-Y337 PolarHBondContact O-N 3.45Å |
| 334 | K | 97.2 | Very high | 96.6 | Very high | 139 Ų | 139 | 107.5 Ų | 107.5 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 174.9 | -73.6 | 172.8 | -176.8 | 176 | 0 | 112.1 | Q330 A331 L332 Y337 K338 | Q330-K334 WeakPolarHBondContact O-CB 3.47Å; Q330-K334 VanDerWaalsContact O-CG 3.31Å; Q330-K334 WeakPolarHBondContact O-CG 3.42Å; Q330-K334 PolarHBondContact O-N 3.21Å; A331-K334 PolarHBondContact O-N 2.87Å; L332-K334 VanDerWaalsContact C-N 3.32Å; L332-K334 PolarHBondContact O-N 3.41Å; K334-Y337 PolarHBondContact O-N 2.84Å; K334-K338 WeakPolarHBondContact O-CG 3.49Å; K334-K338 PolarHBondContact O-N 3.23Å |
| 335 | K | 96.9 | Very high | 96.6 | Very high | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 175.2 | -73.7 | 177 | -178.2 | 179.5 | 0 | 111.2 | A331 L332 K338 V339 | A331-K335 WeakPolarHBondContact O-CG 3.23Å; A331-K335 PolarHBondContact O-N 3.43Å; L332-K335 PolarHBondContact O-N 2.93Å; K335-K338 PolarHBondContact O-N 2.9Å; K335-V339 WeakPolarHBondContact O-CG2 3.42Å; K335-V339 PolarHBondContact O-N 3.41Å |
| 336 | K | 97.1 | Very high | 96.6 | Very high | 127 Ų | 127 | 109.2 Ų | 109.2 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55 | -52.5 | 175 | 179.2 | -177.8 | 165.5 | 179.9 | 0 | 110.7 | L332 R333 K338 V339 E340 | L332-K336 WeakPolarHBondContact O-CB 3.5Å; L332-K336 PolarHBondContact O-N 2.82Å; R333-K336 PolarHBondContact O-N 2.91Å; K336-K338 VanDerWaalsContact C-N 3.32Å; K336-K338 PolarHBondContact O-N 2.89Å; K336-V339 PolarHBondContact O-N 3.49Å; K336-E340 WeakPolarHBondContact CE-OE1 3.49Å; K336-E340 HydrophobicContact CG-CG 4.31Å; K336-E340 IonicContact NZ-OE1 2.86Å; K336-E340 PolarHBondContact NZ-OE1 3.38Å; K336-E340 WeakPolarHBondContact O-CB 3.38Å; K336-E340 WeakPolarHBondContact O-CG 3.5Å; K336-E340 PolarHBondContact O-N 3.48Å |
| 337 | Y | 97.3 | Very high | 96.6 | Very high | 159 Ų | 159 | 106.1 Ų | 106.1 | 62% | 0.624 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58 | -40.7 | 178.4 | 180 | -96.3 | 0 | 0 | 0 | 113.1 | R333 K334 E340 T341 | R333-Y337 WeakPolarHBondContact O-CB 3.39Å; R333-Y337 PolarHBondContact O-N 3.45Å; K334-Y337 PolarHBondContact O-N 2.84Å; Y337-E340 PolarHBondContact O-N 2.92Å; Y337-T341 WeakPolarHBondContact O-CB 2.73Å; Y337-T341 PolarHBondContact O-N 3.06Å; Y337-T341 PolarHBondContact O-OG1 3.18Å |
| 338 | K | 97.1 | Very high | 96.6 | Very high | 135 Ų | 135 | 105.2 Ų | 105.2 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 175.5 | -74.3 | 178.7 | 178.2 | -169.3 | 0 | 111.9 | K334 K335 K336 T341 E342 | K334-K338 WeakPolarHBondContact O-CG 3.49Å; K334-K338 PolarHBondContact O-N 3.23Å; K335-K338 PolarHBondContact O-N 2.9Å; K336-K338 VanDerWaalsContact C-N 3.32Å; K336-K338 PolarHBondContact O-N 2.89Å; K338-T341 WeakPolarHBondContact O-CB 3.38Å; K338-T341 PolarHBondContact O-N 3.32Å; K338-E342 WeakPolarHBondContact O-CG 3.32Å; K338-E342 PolarHBondContact O-N 3.06Å |
| 339 | V | 96.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 106.4 Ų | 106.4 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | K335 K336 T341 E342 I343 | K335-V339 WeakPolarHBondContact O-CG2 3.42Å; K335-V339 PolarHBondContact O-N 3.41Å; K336-V339 PolarHBondContact O-N 3.49Å; V339-T341 VanDerWaalsContact C-N 3.31Å; V339-T341 PolarHBondContact O-N 3.45Å; V339-E342 PolarHBondContact O-N 2.86Å; V339-I343 HydrophobicContact CG1-CD1 3.93Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 VanDerWaalsContact O-CG1 3.32Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 2.88Å |
| 340 | E | 94.9 | Very high | 96.6 | Very high | 92 Ų | 92 | 108.9 Ų | 108.9 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 174 | -73.7 | 175 | 152.3 | 0 | 0 | 111.5 | K336 Y337 I343 E344 | K336-E340 WeakPolarHBondContact CE-OE1 3.49Å; K336-E340 HydrophobicContact CG-CG 4.31Å; K336-E340 IonicContact NZ-OE1 2.86Å; K336-E340 PolarHBondContact NZ-OE1 3.38Å; K336-E340 WeakPolarHBondContact O-CB 3.38Å; K336-E340 WeakPolarHBondContact O-CG 3.5Å; K336-E340 PolarHBondContact O-N 3.48Å; Y337-E340 PolarHBondContact O-N 2.92Å; E340-I343 PolarHBondContact O-N 3.38Å; E340-E344 WeakPolarHBondContact O-CB 3.38Å; E340-E344 PolarHBondContact O-N 3.46Å |
| 341 | T | 96.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 109.6 Ų | 109.6 | 31% | 0.313 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 175.9 | -52 | 0 | 0 | 0 | 0 | 111.7 | Y337 K338 V339 E344 N345 | Y337-T341 WeakPolarHBondContact O-CB 2.73Å; Y337-T341 PolarHBondContact O-N 3.06Å; Y337-T341 PolarHBondContact O-OG1 3.18Å; K338-T341 WeakPolarHBondContact O-CB 3.38Å; K338-T341 PolarHBondContact O-N 3.32Å; V339-T341 VanDerWaalsContact C-N 3.31Å; V339-T341 PolarHBondContact O-N 3.45Å; T341-E344 PolarHBondContact O-N 2.74Å; T341-N345 WeakPolarHBondContact O-CB 3.42Å; T341-N345 PolarHBondContact O-N 3.44Å; T341-N345 PolarHBondContact O-ND2 2.95Å; T341-N345 VanDerWaalsContact O-ND2 3.17Å |
| 342 | E | 95.7 | Very high | 96.6 | Very high | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 175 | -74.2 | 170.2 | -164.6 | 0 | 0 | 111.6 | K338 V339 N345 W346 | K338-E342 WeakPolarHBondContact O-CG 3.32Å; K338-E342 PolarHBondContact O-N 3.06Å; V339-E342 PolarHBondContact O-N 2.86Å; E342-N345 WeakPolarHBondContact O-CB 3.36Å; E342-N345 PolarHBondContact O-N 2.92Å; E342-W346 PolarHBondContact O-N 3.02Å |
| 343 | I | 95.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 113.4 Ų | 113.4 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.8 | -69.5 | 167.2 | 0 | 0 | 0 | 110.2 | V339 E340 N345 W346 I347 | V339-I343 HydrophobicContact CG1-CD1 3.93Å; V339-I343 HydrophobicContact CG1-CG1 4.43Å; V339-I343 VanDerWaalsContact O-CG1 3.32Å; V339-I343 WeakPolarHBondContact O-CG1 3.42Å; V339-I343 PolarHBondContact O-N 2.88Å; E340-I343 PolarHBondContact O-N 3.38Å; I343-N345 VanDerWaalsContact C-N 3.29Å; I343-N345 PolarHBondContact O-N 3.21Å; I343-W346 WeakPolarHBondContact O-CB 3.49Å; I343-W346 PolarHBondContact O-N 3.43Å; I343-I347 HydrophobicContact CG2-CD1 3.84Å; I343-I347 HydrophobicContact CG2-CG1 4.36Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 2.89Å |
| 344 | E | 96.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 109.7 Ų | 109.7 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 176.9 | -171.2 | 64.4 | -151.5 | 0 | 0 | 111.4 | E340 T341 W346 I347 Q348 | E340-E344 WeakPolarHBondContact O-CB 3.38Å; E340-E344 PolarHBondContact O-N 3.46Å; T341-E344 PolarHBondContact O-N 2.74Å; E344-W346 VanDerWaalsContact C-N 3.34Å; E344-W346 PolarHBondContact O-N 3.17Å; E344-I347 PolarHBondContact O-N 2.81Å; E344-Q348 WeakPolarHBondContact O-CG 3.49Å; E344-Q348 PolarHBondContact O-N 3.37Å |
| 345 | N | 96.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.9 | -68.9 | -27.9 | 0 | 0 | 0 | 112.4 | T341 E342 I343 K349 | T341-N345 WeakPolarHBondContact O-CB 3.42Å; T341-N345 PolarHBondContact O-N 3.44Å; T341-N345 PolarHBondContact O-ND2 2.95Å; T341-N345 VanDerWaalsContact O-ND2 3.17Å; E342-N345 WeakPolarHBondContact O-CB 3.36Å; E342-N345 PolarHBondContact O-N 2.92Å; I343-N345 VanDerWaalsContact C-N 3.29Å; I343-N345 PolarHBondContact O-N 3.21Å; N345-K349 VanDerWaalsContact O-CG 3.32Å; N345-K349 WeakPolarHBondContact O-CG 3.32Å; N345-K349 PolarHBondContact O-N 3.43Å |
| 346 | W | 96.8 | Very high | 96.4 | Very high | 176 Ų | 176 | 102.8 Ų | 102.8 | 67% | 0.667 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 175.7 | -79.6 | 114.4 | 0 | 0 | 0 | 112.2 | E342 I343 E344 K349 Y350 | E342-W346 PolarHBondContact O-N 3.02Å; I343-W346 WeakPolarHBondContact O-CB 3.49Å; I343-W346 PolarHBondContact O-N 3.43Å; E344-W346 VanDerWaalsContact C-N 3.34Å; E344-W346 PolarHBondContact O-N 3.17Å; W346-K349 HydrophobicContact CE3-CD 4.31Å; W346-K349 HydrophobicContact CZ3-CD 4.48Å; W346-K349 PolarHBondContact O-N 3.31Å; W346-Y350 WeakPolarHBondContact O-CB 3.47Å; W346-Y350 PolarHBondContact O-N 2.95Å |
| 347 | I | 96 | Very high | 96.3 | Very high | 75 Ų | 75 | 102.1 Ų | 102.1 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 173.4 | -68.1 | 168.1 | 0 | 0 | 0 | 109.5 | I343 E344 K349 Y350 D351 | I343-I347 HydrophobicContact CG2-CD1 3.84Å; I343-I347 HydrophobicContact CG2-CG1 4.36Å; I343-I347 WeakPolarHBondContact O-CG1 3.37Å; I343-I347 PolarHBondContact O-N 2.89Å; E344-I347 PolarHBondContact O-N 2.81Å; I347-K349 VanDerWaalsContact C-N 3.33Å; I347-K349 PolarHBondContact O-N 3.39Å; I347-Y350 WeakPolarHBondContact O-CB 3.49Å; I347-Y350 PolarHBondContact O-N 2.81Å; I347-Y350 VanDerWaalsContact O-N 3.12Å; I347-D351 WeakPolarHBondContact CG2-OD2 3.23Å; I347-D351 WeakPolarHBondContact O-CB 3.21Å; I347-D351 PolarHBondContact O-N 3.3Å |
| 348 | Q | 96.4 | Very high | 96.1 | Very high | 105 Ų | 105 | 99.1 Ų | 99.1 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 178.8 | -72.1 | 174.7 | 11.3 | 0 | 0 | 112.9 | E344 M352 | E344-Q348 WeakPolarHBondContact O-CG 3.49Å; E344-Q348 PolarHBondContact O-N 3.37Å; Q348-M352 VanDerWaalsContact O-CB 3.29Å; Q348-M352 WeakPolarHBondContact O-CB 3.34Å; Q348-M352 PolarHBondContact O-N 2.68Å |
| 349 | K | 97.1 | Very high | 96 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 174.3 | -76.4 | 177.7 | -177 | -176.5 | 0 | 111.8 | N345 W346 I347 M352 E353 | N345-K349 VanDerWaalsContact O-CG 3.32Å; N345-K349 WeakPolarHBondContact O-CG 3.32Å; N345-K349 PolarHBondContact O-N 3.43Å; W346-K349 HydrophobicContact CE3-CD 4.31Å; W346-K349 HydrophobicContact CZ3-CD 4.48Å; W346-K349 PolarHBondContact O-N 3.31Å; I347-K349 VanDerWaalsContact C-N 3.33Å; I347-K349 PolarHBondContact O-N 3.39Å; K349-M352 PolarHBondContact O-N 2.84Å; K349-E353 WeakPolarHBondContact O-CB 3.2Å; K349-E353 WeakPolarHBondContact O-CG 3.4Å; K349-E353 PolarHBondContact O-N 3.47Å |
| 350 | Y | 97.3 | Very high | 95.9 | Very high | 140 Ų | 140 | 99.6 Ų | 99.6 | 55% | 0.549 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 178 | 176.7 | -92.1 | 0 | 0 | 0 | 111.2 | W346 I347 M352 E353 M354 | W346-Y350 WeakPolarHBondContact O-CB 3.47Å; W346-Y350 PolarHBondContact O-N 2.95Å; I347-Y350 WeakPolarHBondContact O-CB 3.49Å; I347-Y350 PolarHBondContact O-N 2.81Å; I347-Y350 VanDerWaalsContact O-N 3.12Å; Y350-M352 VanDerWaalsContact C-N 3.3Å; Y350-M352 PolarHBondContact O-N 3.12Å; Y350-E353 PolarHBondContact O-N 3.33Å; Y350-M354 HydrophobicContact CD1-CG 3.95Å; Y350-M354 HydrophobicContact CD2-CG 4.08Å; Y350-M354 HydrophobicContact CE1-CG 3.55Å; Y350-M354 HydrophobicContact CE2-CG 3.7Å; Y350-M354 HydrophobicContact CE2-SD 4.01Å; Y350-M354 HydrophobicContact CG-CG 4.2Å; Y350-M354 VanDerWaalsContact CZ-CG 3.42Å; Y350-M354 VanDerWaalsContact O-CB 3.23Å; Y350-M354 WeakPolarHBondContact O-CB 3.48Å; Y350-M354 WeakPolarHBondContact O-CG 3.43Å; Y350-M354 PolarHBondContact O-N 2.91Å |
| 351 | D | 97.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 178.7 | -70.3 | -17 | 0 | 0 | 0 | 111.5 | I347 G355 | I347-D351 WeakPolarHBondContact CG2-OD2 3.23Å; I347-D351 WeakPolarHBondContact O-CB 3.21Å; I347-D351 PolarHBondContact O-N 3.3Å; D351-G355 PolarHBondContact O-N 2.87Å |
| 352 | M | 96.1 | Very high | 95.8 | Very high | 112 Ų | 112 | 104.2 Ų | 104.2 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.8 | -51.6 | 175.5 | -174.6 | 169.4 | 65 | 0 | 0 | 112 | Q348 K349 Y350 M354 G355 E356 | Q348-M352 VanDerWaalsContact O-CB 3.29Å; Q348-M352 WeakPolarHBondContact O-CB 3.34Å; Q348-M352 PolarHBondContact O-N 2.68Å; K349-M352 PolarHBondContact O-N 2.84Å; Y350-M352 VanDerWaalsContact C-N 3.3Å; Y350-M352 PolarHBondContact O-N 3.12Å; M352-M354 VanDerWaalsContact C-N 3.34Å; M352-M354 PolarHBondContact O-N 3.48Å; M352-G355 PolarHBondContact O-N 2.92Å; M352-G355 VanDerWaalsContact O-N 3.17Å; M352-E356 WeakPolarHBondContact O-CG 3.37Å; M352-E356 PolarHBondContact O-N 3.38Å |
| 353 | E | 96.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 178.8 | -73.7 | 176.4 | -167.3 | 0 | 0 | 111.8 | K349 Y350 E356 K357 | K349-E353 WeakPolarHBondContact O-CB 3.2Å; K349-E353 WeakPolarHBondContact O-CG 3.4Å; K349-E353 PolarHBondContact O-N 3.47Å; Y350-E353 PolarHBondContact O-N 3.33Å; E353-E356 PolarHBondContact O-N 3.44Å; E353-K357 WeakPolarHBondContact O-CB 3.42Å; E353-K357 WeakPolarHBondContact O-CG 3.29Å; E353-K357 PolarHBondContact O-N 3.17Å |
| 354 | M | 96.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 174.8 | -72.7 | -56.8 | -55.7 | 0 | 0 | 111.8 | Y350 M352 K357 Q358 | Y350-M354 HydrophobicContact CD1-CG 3.95Å; Y350-M354 HydrophobicContact CD2-CG 4.08Å; Y350-M354 HydrophobicContact CE1-CG 3.55Å; Y350-M354 HydrophobicContact CE2-CG 3.7Å; Y350-M354 HydrophobicContact CE2-SD 4.01Å; Y350-M354 HydrophobicContact CG-CG 4.2Å; Y350-M354 VanDerWaalsContact CZ-CG 3.42Å; Y350-M354 VanDerWaalsContact O-CB 3.23Å; Y350-M354 WeakPolarHBondContact O-CB 3.48Å; Y350-M354 WeakPolarHBondContact O-CG 3.43Å; Y350-M354 PolarHBondContact O-N 2.91Å; M352-M354 VanDerWaalsContact C-N 3.34Å; M352-M354 PolarHBondContact O-N 3.48Å; M354-K357 PolarHBondContact O-N 2.85Å; M354-Q358 VanDerWaalsContact O-CB 3.31Å; M354-Q358 WeakPolarHBondContact O-CB 3.31Å; M354-Q358 PolarHBondContact O-N 2.97Å |
| 355 | G | 95.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 104.1 Ų | 104.1 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | D351 M352 K357 Q358 E359 | D351-G355 PolarHBondContact O-N 2.87Å; M352-G355 PolarHBondContact O-N 2.92Å; M352-G355 VanDerWaalsContact O-N 3.17Å; G355-K357 VanDerWaalsContact C-N 3.32Å; G355-K357 PolarHBondContact O-N 3.36Å; G355-Q358 WeakPolarHBondContact O-CB 3.49Å; G355-Q358 PolarHBondContact O-N 3.32Å; G355-Q358 VanDerWaalsContact O-N 3.13Å; G355-E359 PolarHBondContact O-N 3.13Å |
| 356 | E | 95.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 176.1 | -71.8 | 175.8 | 177.3 | 0 | 0 | 111.7 | M352 E353 Q358 E359 E360 | M352-E356 WeakPolarHBondContact O-CG 3.37Å; M352-E356 PolarHBondContact O-N 3.38Å; E353-E356 PolarHBondContact O-N 3.44Å; E356-Q358 VanDerWaalsContact C-N 3.33Å; E356-Q358 PolarHBondContact O-N 2.88Å; E356-E359 PolarHBondContact O-N 2.92Å; E356-E360 WeakPolarHBondContact O-CB 3.31Å; E356-E360 WeakPolarHBondContact O-CG 3.18Å; E356-E360 PolarHBondContact O-N 3.29Å |
| 357 | K | 94.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 177.2 | -71.2 | -72.5 | 159.3 | -125 | 0 | 112.8 | E353 M354 G355 E360 Y361 | E353-K357 WeakPolarHBondContact O-CB 3.42Å; E353-K357 WeakPolarHBondContact O-CG 3.29Å; E353-K357 PolarHBondContact O-N 3.17Å; M354-K357 PolarHBondContact O-N 2.85Å; G355-K357 VanDerWaalsContact C-N 3.32Å; G355-K357 PolarHBondContact O-N 3.36Å; K357-E360 IonicContact NZ-OE1 3.82Å; K357-E360 PolarHBondContact NZ-OE1 2.99Å; K357-E360 IonicContact NZ-OE2 2.8Å; K357-E360 PolarHBondContact NZ-OE2 3.24Å; K357-Y361 VanDerWaalsContact O-CB 3.31Å; K357-Y361 WeakPolarHBondContact O-CB 3.3Å; K357-Y361 PolarHBondContact O-N 2.81Å |
| 358 | Q | 94.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 99.4 Ų | 99.4 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 175 | -177.1 | 62.2 | 29.8 | 0 | 0 | 110.7 | M354 G355 E356 Y361 E362 | M354-Q358 VanDerWaalsContact O-CB 3.31Å; M354-Q358 WeakPolarHBondContact O-CB 3.31Å; M354-Q358 PolarHBondContact O-N 2.97Å; G355-Q358 WeakPolarHBondContact O-CB 3.49Å; G355-Q358 PolarHBondContact O-N 3.32Å; G355-Q358 VanDerWaalsContact O-N 3.13Å; E356-Q358 VanDerWaalsContact C-N 3.33Å; E356-Q358 PolarHBondContact O-N 2.88Å; Q358-Y361 PolarHBondContact O-N 2.82Å; Q358-E362 PolarHBondContact NE2-OE1 3.37Å; Q358-E362 WeakPolarHBondContact O-CB 3.34Å; Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 2.9Å |
| 359 | E | 94.1 | Very high | 94.9 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 174 | -72.3 | -179.8 | -179.1 | 0 | 0 | 111.3 | G355 E356 Y361 E362 D363 | G355-E359 PolarHBondContact O-N 3.13Å; E356-E359 PolarHBondContact O-N 2.92Å; E359-Y361 VanDerWaalsContact C-N 3.29Å; E359-Y361 PolarHBondContact O-N 2.68Å; E359-E362 PolarHBondContact O-N 3.48Å; E359-D363 WeakPolarHBondContact O-CB 3.32Å; E359-D363 PolarHBondContact O-N 2.91Å |
| 360 | E | 94.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 100 Ų | 100 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57 | -41.9 | 174.9 | -75.7 | 175.2 | -160.9 | 0 | 0 | 112.2 | E356 K357 L364 | E356-E360 WeakPolarHBondContact O-CB 3.31Å; E356-E360 WeakPolarHBondContact O-CG 3.18Å; E356-E360 PolarHBondContact O-N 3.29Å; K357-E360 IonicContact NZ-OE1 3.82Å; K357-E360 PolarHBondContact NZ-OE1 2.99Å; K357-E360 IonicContact NZ-OE2 2.8Å; K357-E360 PolarHBondContact NZ-OE2 3.24Å; E360-L364 WeakPolarHBondContact O-CB 3.49Å; E360-L364 WeakPolarHBondContact O-CG 3.25Å; E360-L364 PolarHBondContact O-N 2.89Å |
| 361 | Y | 94.1 | Very high | 94.4 | Very high | 136 Ų | 136 | 98.6 Ų | 98.6 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 178.1 | 178.3 | -89.7 | 0 | 0 | 0 | 111.5 | K357 Q358 E359 L364 E365 | K357-Y361 VanDerWaalsContact O-CB 3.31Å; K357-Y361 WeakPolarHBondContact O-CB 3.3Å; K357-Y361 PolarHBondContact O-N 2.81Å; Q358-Y361 PolarHBondContact O-N 2.82Å; E359-Y361 VanDerWaalsContact C-N 3.29Å; E359-Y361 PolarHBondContact O-N 2.68Å; Y361-L364 PolarHBondContact O-N 2.89Å; Y361-E365 HydrophobicContact CE1-CB 4.46Å; Y361-E365 VanDerWaalsContact O-CB 3.3Å; Y361-E365 WeakPolarHBondContact O-CB 3.29Å; Y361-E365 PolarHBondContact O-N 3.39Å |
| 362 | E | 94.8 | Very high | 94.2 | Very high | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.3 | -74.3 | 175.3 | -168.7 | 0 | 0 | 111.7 | Q358 E359 E365 S366 | Q358-E362 PolarHBondContact NE2-OE1 3.37Å; Q358-E362 WeakPolarHBondContact O-CB 3.34Å; Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 2.9Å; E359-E362 PolarHBondContact O-N 3.48Å; E362-E365 PolarHBondContact O-N 2.91Å; E362-S366 WeakPolarHBondContact O-CB 3.36Å; E362-S366 PolarHBondContact O-N 3.19Å |
| 363 | D | 93.7 | Very high | 94 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.7 | -49.5 | 173.8 | -79.9 | -13.9 | 0 | 0 | 0 | 111.5 | E359 E365 S366 I367 | E359-D363 WeakPolarHBondContact O-CB 3.32Å; E359-D363 PolarHBondContact O-N 2.91Å; D363-E365 VanDerWaalsContact C-N 3.32Å; D363-E365 PolarHBondContact O-N 3.4Å; D363-S366 WeakPolarHBondContact O-CB 3.41Å; D363-S366 PolarHBondContact O-N 2.86Å; D363-I367 WeakPolarHBondContact O-CG1 3.49Å; D363-I367 PolarHBondContact O-N 2.98Å |
| 364 | L | 93.8 | Very high | 93.6 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | 176.3 | -76.4 | 173.7 | 0 | 0 | 0 | 112.2 | E360 Y361 S366 I367 H368 | E360-L364 WeakPolarHBondContact O-CB 3.49Å; E360-L364 WeakPolarHBondContact O-CG 3.25Å; E360-L364 PolarHBondContact O-N 2.89Å; Y361-L364 PolarHBondContact O-N 2.89Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-I367 PolarHBondContact O-N 3.2Å; L364-H368 VanDerWaalsContact O-CB 3.26Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.93Å |
| 365 | E | 93.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 98.8 Ų | 98.8 | 34% | 0.341 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 175.7 | -163.2 | -171.1 | -139.6 | 0 | 0 | 111.1 | Y361 E362 D363 H368 K369 | Y361-E365 HydrophobicContact CE1-CB 4.46Å; Y361-E365 VanDerWaalsContact O-CB 3.3Å; Y361-E365 WeakPolarHBondContact O-CB 3.29Å; Y361-E365 PolarHBondContact O-N 3.39Å; E362-E365 PolarHBondContact O-N 2.91Å; D363-E365 VanDerWaalsContact C-N 3.32Å; D363-E365 PolarHBondContact O-N 3.4Å; E365-H368 PolarHBondContact O-N 2.89Å; E365-K369 VanDerWaalsContact CD-NZ 3.29Å; E365-K369 HydrophobicContact CG-CD 4.41Å; E365-K369 WeakPolarHBondContact O-CB 3.26Å; E365-K369 WeakPolarHBondContact O-CD 3.23Å; E365-K369 VanDerWaalsContact O-CG 3.23Å; E365-K369 WeakPolarHBondContact O-CG 3.48Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 IonicContact OE1-NZ 3.99Å; E365-K369 IonicContact OE2-NZ 3.63Å; E365-K369 PolarHBondContact OE2-NZ 2.82Å |
| 366 | S | 94.8 | Very high | 93 | Very high | 56 Ų | 56 | 102.6 Ų | 102.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 172.9 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | E362 D363 L364 H368 K369 E370 | E362-S366 WeakPolarHBondContact O-CB 3.36Å; E362-S366 PolarHBondContact O-N 3.19Å; D363-S366 WeakPolarHBondContact O-CB 3.41Å; D363-S366 PolarHBondContact O-N 2.86Å; L364-S366 VanDerWaalsContact C-N 3.33Å; S366-H368 VanDerWaalsContact C-N 3.33Å; S366-H368 PolarHBondContact O-N 3.26Å; S366-K369 WeakPolarHBondContact O-CB 3.42Å; S366-K369 PolarHBondContact O-N 2.89Å; S366-E370 WeakPolarHBondContact O-CG 3.38Å; S366-E370 PolarHBondContact O-N 3.44Å |
| 367 | I | 94.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 102 Ų | 102 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 176.1 | -65.8 | 165.9 | 0 | 0 | 0 | 110.4 | D363 L364 K369 E370 E371 | D363-I367 WeakPolarHBondContact O-CG1 3.49Å; D363-I367 PolarHBondContact O-N 2.98Å; L364-I367 PolarHBondContact O-N 3.2Å; I367-K369 VanDerWaalsContact C-N 3.32Å; I367-K369 PolarHBondContact O-N 3.32Å; I367-E370 CarbonylContact O-C 3.55Å; I367-E370 WeakPolarHBondContact O-CB 3.37Å; I367-E370 PolarHBondContact O-N 3.43Å; I367-E370 VanDerWaalsContact O-N 3.14Å; I367-E371 HydrophobicContact CG2-CG 4.13Å; I367-E371 WeakPolarHBondContact O-CB 3.42Å; I367-E371 WeakPolarHBondContact O-CG 3.47Å; I367-E371 PolarHBondContact O-N 3.41Å |
| 368 | H | 91.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 101.7 Ų | 101.7 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 179.2 | -176 | 55.9 | 0 | 0 | 0 | 112.6 | L364 E365 S366 K372 | L364-H368 VanDerWaalsContact O-CB 3.26Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.93Å; E365-H368 PolarHBondContact O-N 2.89Å; S366-H368 VanDerWaalsContact C-N 3.33Å; S366-H368 PolarHBondContact O-N 3.26Å; H368-K372 WeakPolarHBondContact NE2-CE 3.45Å; H368-K372 PolarHBondContact NE2-NZ 3.45Å; H368-K372 VanDerWaalsContact O-CB 3.29Å; H368-K372 WeakPolarHBondContact O-CB 3.28Å; H368-K372 VanDerWaalsContact O-CG 3.25Å; H368-K372 WeakPolarHBondContact O-CG 3.45Å; H368-K372 PolarHBondContact O-N 3.39Å |
| 369 | K | 93.8 | Very high | 92 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 172.7 | -76.6 | 163.4 | -178.6 | 157.6 | 0 | 110.5 | E365 S366 I367 K372 L373 | E365-K369 VanDerWaalsContact CD-NZ 3.29Å; E365-K369 HydrophobicContact CG-CD 4.41Å; E365-K369 WeakPolarHBondContact O-CB 3.26Å; E365-K369 WeakPolarHBondContact O-CD 3.23Å; E365-K369 VanDerWaalsContact O-CG 3.23Å; E365-K369 WeakPolarHBondContact O-CG 3.48Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 IonicContact OE1-NZ 3.99Å; E365-K369 IonicContact OE2-NZ 3.63Å; E365-K369 PolarHBondContact OE2-NZ 2.82Å; S366-K369 WeakPolarHBondContact O-CB 3.42Å; S366-K369 PolarHBondContact O-N 2.89Å; I367-K369 VanDerWaalsContact C-N 3.32Å; I367-K369 PolarHBondContact O-N 3.32Å; K369-K372 PolarHBondContact O-N 3.14Å; K369-L373 WeakPolarHBondContact O-CG 3.41Å; K369-L373 PolarHBondContact O-N 3.08Å; K369-L373 VanDerWaalsContact O-N 3.08Å |
| 370 | E | 92.3 | Very high | 91.7 | Very high | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.1 | -70.2 | 176.4 | -168.3 | 0 | 0 | 112.3 | S366 I367 K372 L373 Q374 | S366-E370 WeakPolarHBondContact O-CG 3.38Å; S366-E370 PolarHBondContact O-N 3.44Å; I367-E370 CarbonylContact O-C 3.55Å; I367-E370 WeakPolarHBondContact O-CB 3.37Å; I367-E370 PolarHBondContact O-N 3.43Å; I367-E370 VanDerWaalsContact O-N 3.14Å; E370-K372 VanDerWaalsContact C-N 3.3Å; E370-K372 PolarHBondContact O-N 3.39Å; E370-L373 WeakPolarHBondContact O-CB 3.47Å; E370-L373 PolarHBondContact O-N 3.25Å; E370-L373 VanDerWaalsContact O-N 3.17Å; E370-Q374 WeakPolarHBondContact O-CG 3.42Å; E370-Q374 PolarHBondContact O-N 2.8Å |
| 371 | E | 91.6 | Very high | 91.3 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 177.5 | -74.4 | -173.6 | 165 | 0 | 0 | 111.9 | I367 Q374 L375 | I367-E371 HydrophobicContact CG2-CG 4.13Å; I367-E371 WeakPolarHBondContact O-CB 3.42Å; I367-E371 WeakPolarHBondContact O-CG 3.47Å; I367-E371 PolarHBondContact O-N 3.41Å; E371-Q374 PolarHBondContact O-N 2.83Å; E371-L375 VanDerWaalsContact O-CB 3.27Å; E371-L375 WeakPolarHBondContact O-CB 3.27Å; E371-L375 PolarHBondContact O-N 2.78Å |
| 372 | K | 92.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 105.3 Ų | 105.3 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 172.7 | -84 | 177.1 | 175.9 | 169 | 0 | 111.9 | H368 K369 E370 L375 E376 | H368-K372 WeakPolarHBondContact NE2-CE 3.45Å; H368-K372 PolarHBondContact NE2-NZ 3.45Å; H368-K372 VanDerWaalsContact O-CB 3.29Å; H368-K372 WeakPolarHBondContact O-CB 3.28Å; H368-K372 VanDerWaalsContact O-CG 3.25Å; H368-K372 WeakPolarHBondContact O-CG 3.45Å; H368-K372 PolarHBondContact O-N 3.39Å; K369-K372 PolarHBondContact O-N 3.14Å; E370-K372 VanDerWaalsContact C-N 3.3Å; E370-K372 PolarHBondContact O-N 3.39Å; K372-L375 PolarHBondContact O-N 2.97Å; K372-E376 WeakPolarHBondContact O-CG 3.47Å; K372-E376 PolarHBondContact O-N 3.19Å |
| 373 | L | 93.1 | Very high | 90.5 | Very high | 105 Ų | 105 | 103.1 Ų | 103.1 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.9 | -73 | 170.3 | 0 | 0 | 0 | 110.7 | K369 E370 L375 E376 E377 | K369-L373 WeakPolarHBondContact O-CG 3.41Å; K369-L373 PolarHBondContact O-N 3.08Å; K369-L373 VanDerWaalsContact O-N 3.08Å; E370-L373 WeakPolarHBondContact O-CB 3.47Å; E370-L373 PolarHBondContact O-N 3.25Å; E370-L373 VanDerWaalsContact O-N 3.17Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.37Å; L373-E376 PolarHBondContact O-N 3.14Å; L373-E377 PolarHBondContact O-N 2.85Å |
| 374 | Q | 88.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.3 | -70.2 | 177.2 | 7.9 | 0 | 0 | 112.2 | E370 E371 E377 L378 | E370-Q374 WeakPolarHBondContact O-CG 3.42Å; E370-Q374 PolarHBondContact O-N 2.8Å; E371-Q374 PolarHBondContact O-N 2.83Å; Q374-E377 PolarHBondContact O-N 3.36Å; Q374-L378 WeakPolarHBondContact O-CB 3.33Å; Q374-L378 PolarHBondContact O-N 3.47Å |
| 375 | L | 88.4 | Confident | 89.6 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 176.3 | 179.8 | 66 | 0 | 0 | 0 | 111.7 | E371 K372 L373 L378 K379 | E371-L375 VanDerWaalsContact O-CB 3.27Å; E371-L375 WeakPolarHBondContact O-CB 3.27Å; E371-L375 PolarHBondContact O-N 2.78Å; K372-L375 PolarHBondContact O-N 2.97Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.37Å; L375-L378 PolarHBondContact O-N 3.33Å; L375-K379 HydrophobicContact CG-CD 4.4Å; L375-K379 WeakPolarHBondContact O-CB 3.31Å; L375-K379 VanDerWaalsContact O-CG 3.28Å; L375-K379 WeakPolarHBondContact O-CG 3.24Å; L375-K379 PolarHBondContact O-N 3.18Å |
| 376 | E | 89.1 | Confident | 89.1 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 174.1 | -75.5 | 175.9 | -179.1 | 0 | 0 | 110.8 | K372 L373 L378 K379 E380 | K372-E376 WeakPolarHBondContact O-CG 3.47Å; K372-E376 PolarHBondContact O-N 3.19Å; L373-E376 PolarHBondContact O-N 3.14Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 2.88Å; E376-K379 WeakPolarHBondContact O-CB 3.5Å; E376-K379 PolarHBondContact O-N 3.37Å; E376-K379 VanDerWaalsContact O-N 3.14Å; E376-E380 WeakPolarHBondContact O-CG 3.46Å; E376-E380 PolarHBondContact O-N 3.46Å |
| 377 | E | 89.8 | Confident | 88.5 | Confident | 86 Ų | 86 | 103.9 Ų | 103.9 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.6 | -41.4 | 173.2 | -69.8 | -174.5 | -169.8 | 0 | 0 | 112.2 | L373 Q374 E380 R381 | L373-E377 PolarHBondContact O-N 2.85Å; Q374-E377 PolarHBondContact O-N 3.36Å; E377-E380 PolarHBondContact O-N 2.88Å; E377-R381 WeakPolarHBondContact O-CB 3.44Å; E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-N 2.87Å; E377-R381 IonicContact OE2-CZ 3.88Å; E377-R381 IonicContact OE2-NH1 2.64Å; E377-R381 PolarHBondContact OE2-NH1 2.91Å; E377-R381 IonicContact OE2-NH2 3.09Å; E377-R381 PolarHBondContact OE2-NH2 3.17Å |
| 378 | L | 87.8 | Confident | 87.9 | Confident | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -38 | 178.8 | -129.3 | 80.7 | 0 | 0 | 0 | 111.7 | Q374 L375 E376 R381 H382 | Q374-L378 WeakPolarHBondContact O-CB 3.33Å; Q374-L378 PolarHBondContact O-N 3.47Å; L375-L378 PolarHBondContact O-N 3.33Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 2.88Å; L378-R381 PolarHBondContact O-N 3.31Å; L378-H382 VanDerWaalsContact O-CB 3.24Å; L378-H382 WeakPolarHBondContact O-CB 3.36Å; L378-H382 PolarHBondContact O-N 2.64Å |
| 379 | K | 85.9 | Confident | 87.2 | Confident | 127 Ų | 127 | 106.8 Ų | 106.8 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 174.8 | -77.9 | 171.4 | 179.7 | 171.8 | 0 | 111 | L375 E376 H382 A383 | L375-K379 HydrophobicContact CG-CD 4.4Å; L375-K379 WeakPolarHBondContact O-CB 3.31Å; L375-K379 VanDerWaalsContact O-CG 3.28Å; L375-K379 WeakPolarHBondContact O-CG 3.24Å; L375-K379 PolarHBondContact O-N 3.18Å; E376-K379 WeakPolarHBondContact O-CB 3.5Å; E376-K379 PolarHBondContact O-N 3.37Å; E376-K379 VanDerWaalsContact O-N 3.14Å; K379-H382 PolarHBondContact O-N 3.12Å; K379-A383 WeakPolarHBondContact O-CB 3.42Å; K379-A383 PolarHBondContact O-N 3.47Å |
| 380 | E | 87.6 | Confident | 86.5 | Confident | 137 Ų | 137 | 104.4 Ų | 104.4 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -50.1 | 174 | -71 | 179 | 172.1 | 0 | 0 | 111 | E376 E377 H382 A383 V384 | E376-E380 WeakPolarHBondContact O-CG 3.46Å; E376-E380 PolarHBondContact O-N 3.46Å; E377-E380 PolarHBondContact O-N 2.88Å; E380-H382 VanDerWaalsContact C-N 3.31Å; E380-H382 PolarHBondContact O-N 3.02Å; E380-A383 WeakPolarHBondContact O-CB 3.45Å; E380-A383 PolarHBondContact O-N 3.01Å; E380-A383 VanDerWaalsContact O-N 3.12Å; E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.12Å |
| 381 | R | 86.1 | Confident | 85.8 | Confident | 141 Ų | 141 | 104.4 Ų | 104.4 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 174.8 | -71.7 | 178.5 | -172.4 | 115.8 | 5.9 | 111.9 | E377 L378 V384 L385 | E377-R381 WeakPolarHBondContact O-CB 3.44Å; E377-R381 VanDerWaalsContact O-CG 3.3Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-N 2.87Å; E377-R381 IonicContact OE2-CZ 3.88Å; E377-R381 IonicContact OE2-NH1 2.64Å; E377-R381 PolarHBondContact OE2-NH1 2.91Å; E377-R381 IonicContact OE2-NH2 3.09Å; E377-R381 PolarHBondContact OE2-NH2 3.17Å; L378-R381 PolarHBondContact O-N 3.31Å; R381-V384 PolarHBondContact O-N 2.82Å; R381-L385 WeakPolarHBondContact O-CB 3.45Å; R381-L385 PolarHBondContact O-N 3.39Å |
| 382 | H | 85.4 | Confident | 85 | Confident | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 176.4 | -178.9 | -61 | 0 | 0 | 0 | 111.6 | L378 K379 E380 V384 L385 V386 | L378-H382 VanDerWaalsContact O-CB 3.24Å; L378-H382 WeakPolarHBondContact O-CB 3.36Å; L378-H382 PolarHBondContact O-N 2.64Å; K379-H382 PolarHBondContact O-N 3.12Å; E380-H382 VanDerWaalsContact C-N 3.31Å; E380-H382 PolarHBondContact O-N 3.02Å; H382-V384 VanDerWaalsContact C-N 3.35Å; H382-L385 PolarHBondContact O-N 3.36Å; H382-V386 WeakPolarHBondContact CE1-CG2 3.46Å; H382-V386 VanDerWaalsContact ND1-CG2 3.33Å; H382-V386 WeakPolarHBondContact ND1-CG2 3.3Å; H382-V386 WeakPolarHBondContact O-CB 3.45Å; H382-V386 VanDerWaalsContact O-CG2 3.31Å; H382-V386 WeakPolarHBondContact O-CG2 3.44Å; H382-V386 PolarHBondContact O-N 2.88Å |
| 383 | A | 86.9 | Confident | 84.2 | Confident | 57 Ų | 57 | 107.6 Ų | 107.6 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K379 E380 L385 V386 E387 | K379-A383 WeakPolarHBondContact O-CB 3.42Å; K379-A383 PolarHBondContact O-N 3.47Å; E380-A383 WeakPolarHBondContact O-CB 3.45Å; E380-A383 PolarHBondContact O-N 3.01Å; E380-A383 VanDerWaalsContact O-N 3.12Å; A383-L385 PolarHBondContact O-N 3.49Å; A383-V386 PolarHBondContact O-N 3.28Å; A383-E387 PolarHBondContact O-N 3.31Å |
| 384 | V | 86.2 | Confident | 83.3 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -49 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | E380 R381 H382 V386 E387 E388 | E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.12Å; R381-V384 PolarHBondContact O-N 2.82Å; H382-V384 VanDerWaalsContact C-N 3.35Å; V384-V386 VanDerWaalsContact C-N 3.3Å; V384-V386 PolarHBondContact O-N 2.93Å; V384-E387 WeakPolarHBondContact O-CB 3.38Å; V384-E387 PolarHBondContact O-N 2.9Å; V384-E387 VanDerWaalsContact O-N 3.12Å; V384-E388 HydrophobicContact CG1-CG 4.38Å; V384-E388 WeakPolarHBondContact O-CG 3.48Å; V384-E388 PolarHBondContact O-N 3.43Å |
| 385 | L | 82.4 | Confident | 82.6 | Confident | 94 Ų | 94 | 105.5 Ų | 105.5 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 179.7 | -125 | 103.1 | 0 | 0 | 0 | 113.1 | R381 H382 A383 F389 | R381-L385 WeakPolarHBondContact O-CB 3.45Å; R381-L385 PolarHBondContact O-N 3.39Å; H382-L385 PolarHBondContact O-N 3.36Å; A383-L385 PolarHBondContact O-N 3.49Å; L385-F389 HydrophobicContact CD2-CD2 4.42Å; L385-F389 HydrophobicContact CD2-CE2 4.37Å; L385-F389 WeakPolarHBondContact O-CB 3.23Å; L385-F389 PolarHBondContact O-N 2.92Å |
| 386 | V | 84.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 105 Ų | 105 | 47% | 0.473 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.2 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | H382 A383 V384 F389 S390 | H382-V386 WeakPolarHBondContact CE1-CG2 3.46Å; H382-V386 VanDerWaalsContact ND1-CG2 3.33Å; H382-V386 WeakPolarHBondContact ND1-CG2 3.3Å; H382-V386 WeakPolarHBondContact O-CB 3.45Å; H382-V386 VanDerWaalsContact O-CG2 3.31Å; H382-V386 WeakPolarHBondContact O-CG2 3.44Å; H382-V386 PolarHBondContact O-N 2.88Å; A383-V386 PolarHBondContact O-N 3.28Å; V384-V386 VanDerWaalsContact C-N 3.3Å; V384-V386 PolarHBondContact O-N 2.93Å; V386-F389 PolarHBondContact O-N 2.89Å; V386-S390 WeakPolarHBondContact O-CB 3.5Å; V386-S390 PolarHBondContact O-N 3Å |
| 387 | E | 80.9 | Confident | 81 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -46.9 | 176.8 | -165.1 | 161.7 | -163.5 | 0 | 0 | 110.6 | A383 V384 F389 S390 Q391 | A383-E387 PolarHBondContact O-N 3.31Å; V384-E387 WeakPolarHBondContact O-CB 3.38Å; V384-E387 PolarHBondContact O-N 2.9Å; V384-E387 VanDerWaalsContact O-N 3.12Å; E387-F389 PolarHBondContact O-N 3.33Å; E387-S390 WeakPolarHBondContact O-CB 3.42Å; E387-S390 PolarHBondContact O-N 2.92Å; E387-S390 VanDerWaalsContact O-N 3.12Å; E387-S390 PolarHBondContact O-OG 2.8Å; E387-Q391 WeakPolarHBondContact O-CG 3.34Å; E387-Q391 PolarHBondContact O-N 3.48Å |
| 388 | E | 82.1 | Confident | 80.3 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 171.6 | -70.5 | -179.9 | 171.9 | 0 | 0 | 112.2 | V384 S390 Q391 I392 | V384-E388 HydrophobicContact CG1-CG 4.38Å; V384-E388 WeakPolarHBondContact O-CG 3.48Å; V384-E388 PolarHBondContact O-N 3.43Å; E388-S390 VanDerWaalsContact C-N 3.26Å; E388-S390 PolarHBondContact O-N 3.48Å; E388-Q391 WeakPolarHBondContact O-CB 3.48Å; E388-Q391 PolarHBondContact O-N 3.21Å; E388-I392 WeakPolarHBondContact O-CG1 3.29Å; E388-I392 PolarHBondContact O-N 2.9Å |
| 389 | F | 77 | Confident | 79.4 | Confident | 137 Ų | 137 | 104.5 Ų | 104.5 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -37.5 | 175.7 | -109.6 | -79.8 | 0 | 0 | 0 | 112 | L385 V386 E387 R393 | L385-F389 HydrophobicContact CD2-CD2 4.42Å; L385-F389 HydrophobicContact CD2-CE2 4.37Å; L385-F389 WeakPolarHBondContact O-CB 3.23Å; L385-F389 PolarHBondContact O-N 2.92Å; V386-F389 PolarHBondContact O-N 2.89Å; E387-F389 PolarHBondContact O-N 3.33Å; F389-R393 WeakPolarHBondContact O-CB 3.33Å; F389-R393 PolarHBondContact O-N 3.33Å |
| 390 | S | 78.7 | Confident | 78.5 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 176.8 | 81.6 | 0 | 0 | 0 | 0 | 111.6 | V386 E387 E388 R393 A394 | V386-S390 WeakPolarHBondContact O-CB 3.5Å; V386-S390 PolarHBondContact O-N 3Å; E387-S390 WeakPolarHBondContact O-CB 3.42Å; E387-S390 PolarHBondContact O-N 2.92Å; E387-S390 VanDerWaalsContact O-N 3.12Å; E387-S390 PolarHBondContact O-OG 2.8Å; E388-S390 VanDerWaalsContact C-N 3.26Å; E388-S390 PolarHBondContact O-N 3.48Å; S390-R393 PolarHBondContact O-N 3.37Å; S390-A394 WeakPolarHBondContact O-CB 3.42Å; S390-A394 PolarHBondContact O-N 2.86Å |
| 391 | Q | 78 | Confident | 77.8 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.7 | -69.8 | 173.5 | 16.6 | 0 | 0 | 110.9 | E387 E388 R393 A394 E395 | E387-Q391 WeakPolarHBondContact O-CG 3.34Å; E387-Q391 PolarHBondContact O-N 3.48Å; E388-Q391 WeakPolarHBondContact O-CB 3.48Å; E388-Q391 PolarHBondContact O-N 3.21Å; Q391-R393 VanDerWaalsContact C-N 3.31Å; Q391-R393 PolarHBondContact O-N 3.36Å; Q391-A394 PolarHBondContact O-N 3.18Å; Q391-E395 WeakPolarHBondContact O-CB 3.43Å; Q391-E395 WeakPolarHBondContact O-CG 3.35Å; Q391-E395 PolarHBondContact O-N 3.33Å |
| 392 | I | 75.8 | Confident | 77.2 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 176.2 | -67.1 | 167.1 | 0 | 0 | 0 | 110.9 | E388 E395 S396 | E388-I392 WeakPolarHBondContact O-CG1 3.29Å; E388-I392 PolarHBondContact O-N 2.9Å; I392-E395 PolarHBondContact O-N 3.12Å; I392-S396 WeakPolarHBondContact O-CB 3.35Å; I392-S396 PolarHBondContact O-N 3.45Å |
| 393 | R | 75.3 | Confident | 76.4 | Confident | 181 Ų | 181 | 104 Ų | 104 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 177.6 | -127.3 | -153 | -67.5 | -179.1 | -2 | 111.5 | F389 S390 Q391 S396 E397 | F389-R393 WeakPolarHBondContact O-CB 3.33Å; F389-R393 PolarHBondContact O-N 3.33Å; S390-R393 PolarHBondContact O-N 3.37Å; Q391-R393 VanDerWaalsContact C-N 3.31Å; Q391-R393 PolarHBondContact O-N 3.36Å; R393-S396 PolarHBondContact O-N 2.97Å; R393-E397 PolarHBondContact O-N 2.83Å |
| 394 | A | 74.1 | Confident | 75.8 | Confident | 46 Ų | 46 | 103.9 Ų | 103.9 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S390 Q391 S396 E397 I398 | S390-A394 WeakPolarHBondContact O-CB 3.42Å; S390-A394 PolarHBondContact O-N 2.86Å; Q391-A394 PolarHBondContact O-N 3.18Å; A394-S396 PolarHBondContact O-N 2.91Å; A394-E397 PolarHBondContact O-N 2.87Å; A394-I398 WeakPolarHBondContact O-CB 3.48Å; A394-I398 VanDerWaalsContact O-CG1 3.23Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 2.86Å |
| 395 | E | 72.5 | Confident | 75 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 173.8 | -78.3 | -171.1 | 163.6 | 0 | 0 | 111.9 | Q391 I392 I398 N399 | Q391-E395 WeakPolarHBondContact O-CB 3.43Å; Q391-E395 WeakPolarHBondContact O-CG 3.35Å; Q391-E395 PolarHBondContact O-N 3.33Å; I392-E395 PolarHBondContact O-N 3.12Å; E395-I398 PolarHBondContact O-N 3.22Å; E395-N399 WeakPolarHBondContact O-CB 3.25Å; E395-N399 PolarHBondContact O-N 3Å |
| 396 | S | 69.9 | Low | 74.5 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 177.5 | -155.6 | 0 | 0 | 0 | 0 | 112.2 | I392 R393 A394 N399 S400 | I392-S396 WeakPolarHBondContact O-CB 3.35Å; I392-S396 PolarHBondContact O-N 3.45Å; R393-S396 PolarHBondContact O-N 2.97Å; A394-S396 PolarHBondContact O-N 2.91Å; S396-N399 PolarHBondContact O-N 3.49Å; S396-S400 VanDerWaalsContact O-CB 3.28Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3Å |
| 397 | E | 74.4 | Confident | 73.6 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 172.4 | -79.6 | -174.3 | -169.2 | 0 | 0 | 112.2 | R393 A394 S400 K401 | R393-E397 PolarHBondContact O-N 2.83Å; A394-E397 PolarHBondContact O-N 2.87Å; E397-S400 PolarHBondContact O-N 3.31Å; E397-K401 WeakPolarHBondContact O-CB 3.49Å; E397-K401 VanDerWaalsContact O-CG 3.29Å; E397-K401 WeakPolarHBondContact O-CG 3.28Å; E397-K401 PolarHBondContact O-N 2.92Å |
| 398 | I | 74.9 | Confident | 73 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.3 | -69.4 | 164.3 | 0 | 0 | 0 | 110.5 | A394 E395 S400 K401 K402 | A394-I398 WeakPolarHBondContact O-CB 3.48Å; A394-I398 VanDerWaalsContact O-CG1 3.23Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 2.86Å; E395-I398 PolarHBondContact O-N 3.22Å; I398-S400 VanDerWaalsContact C-N 3.35Å; I398-S400 PolarHBondContact O-N 3.25Å; I398-K401 PolarHBondContact O-N 3.45Å; I398-K402 HydrophobicContact CG2-CD 4.27Å; I398-K402 WeakPolarHBondContact O-CG 3.33Å; I398-K402 PolarHBondContact O-N 3.3Å |
| 399 | N | 69.2 | Low | 72.4 | Confident | 102 Ų | 102 | 108.6 Ų | 108.6 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 178.1 | -113.5 | -11.4 | 0 | 0 | 0 | 112.3 | E395 S396 K402 R403 | E395-N399 WeakPolarHBondContact O-CB 3.25Å; E395-N399 PolarHBondContact O-N 3Å; S396-N399 PolarHBondContact O-N 3.49Å; N399-K402 PolarHBondContact O-N 3.27Å; N399-R403 PolarHBondContact O-N 3.49Å |
| 400 | S | 67.9 | Low | 71.8 | Confident | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | S396 E397 I398 K402 R403 V404 | S396-S400 VanDerWaalsContact O-CB 3.28Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3Å; E397-S400 PolarHBondContact O-N 3.31Å; I398-S400 VanDerWaalsContact C-N 3.35Å; I398-S400 PolarHBondContact O-N 3.25Å; S400-K402 PolarHBondContact O-N 2.95Å; S400-R403 PolarHBondContact O-N 3.47Å; S400-V404 WeakPolarHBondContact O-CG2 3.39Å; S400-V404 PolarHBondContact O-N 3.4Å |
| 401 | K | 72.4 | Confident | 71.6 | Confident | 127 Ų | 127 | 109 Ų | 109 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.4 | -46.2 | 174.7 | -73.9 | 170.9 | -174.5 | 170.3 | 0 | 111.9 | E397 I398 R403 V404 E405 | E397-K401 WeakPolarHBondContact O-CB 3.49Å; E397-K401 VanDerWaalsContact O-CG 3.29Å; E397-K401 WeakPolarHBondContact O-CG 3.28Å; E397-K401 PolarHBondContact O-N 2.92Å; I398-K401 PolarHBondContact O-N 3.45Å; K401-R403 PolarHBondContact O-N 2.85Å; K401-V404 PolarHBondContact O-N 2.84Å; K401-E405 WeakPolarHBondContact O-CG 3.49Å; K401-E405 PolarHBondContact O-N 2.96Å |
| 402 | K | 73 | Confident | 71.3 | Confident | 128 Ų | 128 | 111.4 Ų | 111.4 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 175.3 | -74.4 | 178.2 | 179.3 | 177.9 | 0 | 112.7 | I398 N399 S400 E405 A406 | I398-K402 HydrophobicContact CG2-CD 4.27Å; I398-K402 WeakPolarHBondContact O-CG 3.33Å; I398-K402 PolarHBondContact O-N 3.3Å; N399-K402 PolarHBondContact O-N 3.27Å; S400-K402 PolarHBondContact O-N 2.95Å; K402-E405 PolarHBondContact O-N 3.28Å; K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 3.09Å |
| 403 | R | 68 | Low | 71 | Confident | 195 Ų | 195 | 113 Ų | 113 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 175.3 | -83.5 | -173.1 | 172.8 | -174.4 | -0.7 | 112 | N399 S400 K401 A406 E407 | N399-R403 PolarHBondContact O-N 3.49Å; S400-R403 PolarHBondContact O-N 3.47Å; K401-R403 PolarHBondContact O-N 2.85Å; R403-A406 PolarHBondContact O-N 3.5Å; R403-E407 PolarHBondContact O-N 2.99Å |
| 404 | V | 74.6 | Confident | 70.7 | Confident | 55 Ų | 55 | 108 Ų | 108 | 33% | 0.333 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | S400 K401 E407 R408 | S400-V404 WeakPolarHBondContact O-CG2 3.39Å; S400-V404 PolarHBondContact O-N 3.4Å; K401-V404 PolarHBondContact O-N 2.84Å; V404-E407 PolarHBondContact O-N 2.9Å; V404-R408 VanDerWaalsContact O-CG 3.25Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.34Å |
| 405 | E | 70.9 | Confident | 70.4 | Confident | 119 Ų | 119 | 114.5 Ų | 114.5 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.3 | -43.6 | 175.4 | -77.8 | 174.3 | 173.5 | 0 | 0 | 112.4 | K401 K402 E407 R408 E409 | K401-E405 WeakPolarHBondContact O-CG 3.49Å; K401-E405 PolarHBondContact O-N 2.96Å; K402-E405 PolarHBondContact O-N 3.28Å; E405-E407 PolarHBondContact O-N 3.46Å; E405-R408 WeakPolarHBondContact O-CB 3.48Å; E405-R408 PolarHBondContact O-N 2.93Å; E405-E409 WeakPolarHBondContact O-CB 3.5Å; E405-E409 PolarHBondContact O-N 2.91Å |
| 406 | A | 70.4 | Confident | 70.2 | Confident | 57 Ų | 57 | 110.7 Ų | 110.7 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | K402 R403 E409 M410 | K402-A406 WeakPolarHBondContact O-CB 3.43Å; K402-A406 PolarHBondContact O-N 3.09Å; R403-A406 PolarHBondContact O-N 3.5Å; A406-E409 PolarHBondContact O-N 3.39Å; A406-M410 WeakPolarHBondContact O-CB 3.39Å; A406-M410 PolarHBondContact O-N 3.5Å |
| 407 | E | 66.3 | Low | 70.1 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 173.5 | -80.2 | -179.5 | 171.7 | 0 | 0 | 112.1 | R403 V404 E405 E409 M410 V411 | R403-E407 PolarHBondContact O-N 2.99Å; V404-E407 PolarHBondContact O-N 2.9Å; E405-E407 PolarHBondContact O-N 3.46Å; E407-E409 VanDerWaalsContact C-N 3.27Å; E407-E409 PolarHBondContact O-N 2.92Å; E407-M410 PolarHBondContact O-N 2.9Å; E407-V411 WeakPolarHBondContact O-CB 3.42Å; E407-V411 VanDerWaalsContact O-CG2 3.25Å; E407-V411 WeakPolarHBondContact O-CG2 3.41Å; E407-V411 PolarHBondContact O-N 3.47Å |
| 408 | R | 68.3 | Low | 69.7 | Low | 157 Ų | 157 | 108 Ų | 108 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -34.9 | 176.3 | -73.9 | 170.5 | -176.9 | 178.1 | 2.6 | 112.4 | V404 E405 R412 | V404-R408 VanDerWaalsContact O-CG 3.25Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.34Å; E405-R408 WeakPolarHBondContact O-CB 3.48Å; E405-R408 PolarHBondContact O-N 2.93Å; R408-R412 PolarHBondContact O-N 2.63Å; R408-R412 VanDerWaalsContact O-N 3.09Å |
| 409 | E | 69.7 | Low | 69.3 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.4 | -39.8 | 177.5 | -157.5 | 154.2 | -119.6 | 0 | 0 | 111.9 | E405 A406 E407 V411 R412 M413 | E405-E409 WeakPolarHBondContact O-CB 3.5Å; E405-E409 PolarHBondContact O-N 2.91Å; A406-E409 PolarHBondContact O-N 3.39Å; E407-E409 VanDerWaalsContact C-N 3.27Å; E407-E409 PolarHBondContact O-N 2.92Å; E409-V411 PolarHBondContact O-N 2.9Å; E409-R412 WeakPolarHBondContact O-CB 3.49Å; E409-R412 PolarHBondContact O-N 3.33Å; E409-R412 VanDerWaalsContact O-N 3.13Å; E409-R412 IonicContact OE1-NH1 3.48Å; E409-R412 IonicContact OE1-NH2 2.85Å; E409-M413 PolarHBondContact O-N 2.98Å |
| 410 | M | 64.6 | Low | 69 | Low | 124 Ų | 124 | 110.7 Ų | 110.7 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 173 | -145.2 | -80.9 | -105.5 | 0 | 0 | 111.2 | A406 E407 R412 M413 V414 | A406-M410 WeakPolarHBondContact O-CB 3.39Å; A406-M410 PolarHBondContact O-N 3.5Å; E407-M410 PolarHBondContact O-N 2.9Å; M410-R412 VanDerWaalsContact C-N 3.34Å; M410-R412 PolarHBondContact O-N 3.39Å; M410-M413 PolarHBondContact O-N 3.48Å; M410-V414 WeakPolarHBondContact O-CG2 2.81Å; M410-V414 PolarHBondContact O-N 3.41Å; M410-V414 HydrophobicContact SD-CG2 3.66Å |
| 411 | V | 74.3 | Confident | 68.7 | Low | 82 Ų | 82 | 113 Ų | 113 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -38.2 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 112 | E407 E409 R415 | E407-V411 WeakPolarHBondContact O-CB 3.42Å; E407-V411 VanDerWaalsContact O-CG2 3.25Å; E407-V411 WeakPolarHBondContact O-CG2 3.41Å; E407-V411 PolarHBondContact O-N 3.47Å; E409-V411 PolarHBondContact O-N 2.9Å; V411-R415 WeakPolarHBondContact O-CB 3.25Å; V411-R415 PolarHBondContact O-N 2.97Å |
| 412 | R | 71.7 | Confident | 68.2 | Low | 155 Ų | 155 | 109.9 Ų | 109.9 | 59% | 0.585 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 173.3 | -88 | -175.7 | -80.5 | 151.6 | -0.3 | 111.7 | R408 E409 M410 R415 A416 | R408-R412 PolarHBondContact O-N 2.63Å; R408-R412 VanDerWaalsContact O-N 3.09Å; E409-R412 WeakPolarHBondContact O-CB 3.49Å; E409-R412 PolarHBondContact O-N 3.33Å; E409-R412 VanDerWaalsContact O-N 3.13Å; E409-R412 IonicContact OE1-NH1 3.48Å; E409-R412 IonicContact OE1-NH2 2.85Å; M410-R412 VanDerWaalsContact C-N 3.34Å; M410-R412 PolarHBondContact O-N 3.39Å; R412-R415 PolarHBondContact O-N 3.02Å; R412-A416 WeakPolarHBondContact O-CB 3.28Å; R412-A416 PolarHBondContact O-N 3.32Å |
| 413 | M | 68.1 | Low | 67.9 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 176.9 | -71.9 | -160.6 | 174.1 | 0 | 0 | 112.3 | E409 M410 A416 A417 | E409-M413 PolarHBondContact O-N 2.98Å; M410-M413 PolarHBondContact O-N 3.48Å; M413-A416 PolarHBondContact O-N 2.93Å; M413-A417 WeakPolarHBondContact O-CB 3.28Å; M413-A417 PolarHBondContact O-N 3.24Å |
| 414 | V | 70.1 | Confident | 67.6 | Low | 77 Ų | 77 | 106.8 Ų | 106.8 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | M410 A416 A417 T418 | M410-V414 WeakPolarHBondContact O-CG2 2.81Å; M410-V414 PolarHBondContact O-N 3.41Å; M410-V414 HydrophobicContact SD-CG2 3.66Å; V414-A416 PolarHBondContact O-N 3.18Å; V414-A417 PolarHBondContact O-N 2.94Å; V414-T418 WeakPolarHBondContact O-CB 3.41Å; V414-T418 PolarHBondContact O-N 3.3Å; V414-T418 PolarHBondContact O-OG1 3.28Å |
| 415 | R | 66.6 | Low | 66.9 | Low | 183 Ų | 183 | 111.1 Ų | 111.1 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.6 | -44.8 | 174.5 | -87.4 | -178.2 | 173.2 | -175.3 | -1 | 112 | V411 R412 T418 L419 | V411-R415 WeakPolarHBondContact O-CB 3.25Å; V411-R415 PolarHBondContact O-N 2.97Å; R412-R415 PolarHBondContact O-N 3.02Å; R415-T418 PolarHBondContact O-N 3.43Å; R415-L419 WeakPolarHBondContact O-CB 3.35Å; R415-L419 PolarHBondContact O-N 3.13Å |
| 416 | A | 69.2 | Low | 66.1 | Low | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R412 M413 V414 T418 L419 I420 | R412-A416 WeakPolarHBondContact O-CB 3.28Å; R412-A416 PolarHBondContact O-N 3.32Å; M413-A416 PolarHBondContact O-N 2.93Å; V414-A416 PolarHBondContact O-N 3.18Å; A416-T418 VanDerWaalsContact C-N 3.33Å; A416-T418 PolarHBondContact O-N 3.32Å; A416-L419 PolarHBondContact O-N 2.88Å; A416-I420 VanDerWaalsContact O-CG1 3.28Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 2.88Å |
| 417 | A | 68.1 | Low | 65.6 | Low | 51 Ų | 51 | 110.5 Ų | 110.5 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M413 V414 Q421 | M413-A417 WeakPolarHBondContact O-CB 3.28Å; M413-A417 PolarHBondContact O-N 3.24Å; V414-A417 PolarHBondContact O-N 2.94Å; A417-Q421 WeakPolarHBondContact O-CB 3.25Å; A417-Q421 VanDerWaalsContact O-CG 3.31Å; A417-Q421 WeakPolarHBondContact O-CG 3.48Å; A417-Q421 PolarHBondContact O-N 3.21Å |
| 418 | T | 65.1 | Low | 65.2 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 178.1 | -46.1 | 0 | 0 | 0 | 0 | 111.8 | V414 R415 A416 Q421 A422 | V414-T418 WeakPolarHBondContact O-CB 3.41Å; V414-T418 PolarHBondContact O-N 3.3Å; V414-T418 PolarHBondContact O-OG1 3.28Å; R415-T418 PolarHBondContact O-N 3.43Å; A416-T418 VanDerWaalsContact C-N 3.33Å; A416-T418 PolarHBondContact O-N 3.32Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-A422 VanDerWaalsContact O-CB 3.25Å; T418-A422 WeakPolarHBondContact O-CB 3.32Å; T418-A422 PolarHBondContact O-N 3.43Å |
| 419 | L | 66.1 | Low | 64.5 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.7 | -42.1 | 179.7 | -136.9 | 141.1 | 0 | 0 | 0 | 111.4 | R415 A416 A422 V423 | R415-L419 WeakPolarHBondContact O-CB 3.35Å; R415-L419 PolarHBondContact O-N 3.13Å; A416-L419 PolarHBondContact O-N 2.88Å; L419-A422 PolarHBondContact O-N 3.48Å; L419-V423 HydrophobicContact CD2-CG2 4.24Å; L419-V423 VanDerWaalsContact O-CG2 3.28Å; L419-V423 WeakPolarHBondContact O-CG2 3.24Å; L419-V423 PolarHBondContact O-N 2.9Å |
| 420 | I | 63.2 | Low | 63.6 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | 174 | -67.3 | 166.4 | 0 | 0 | 0 | 110.4 | A416 A422 W424 | A416-I420 VanDerWaalsContact O-CG1 3.28Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 2.88Å; I420-A422 PolarHBondContact O-N 3.28Å; I420-W424 PolarHBondContact O-N 2.97Å |
| 421 | Q | 61.4 | Low | 62.7 | Low | 120 Ų | 120 | 109.6 Ų | 109.6 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -37.3 | 176.4 | -73.9 | -176.9 | -12.8 | 0 | 0 | 112.7 | A417 T418 K425 | A417-Q421 WeakPolarHBondContact O-CB 3.25Å; A417-Q421 VanDerWaalsContact O-CG 3.31Å; A417-Q421 WeakPolarHBondContact O-CG 3.48Å; A417-Q421 PolarHBondContact O-N 3.21Å; T418-Q421 PolarHBondContact O-N 2.9Å; Q421-K425 WeakPolarHBondContact O-CB 3.31Å; Q421-K425 VanDerWaalsContact O-CG 3.28Å; Q421-K425 WeakPolarHBondContact O-CG 3.47Å; Q421-K425 PolarHBondContact O-N 3.29Å; Q421-K425 VanDerWaalsContact O-N 3.11Å |
| 422 | A | 63.1 | Low | 61.7 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.9 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T418 L419 I420 G426 | T418-A422 VanDerWaalsContact O-CB 3.25Å; T418-A422 WeakPolarHBondContact O-CB 3.32Å; T418-A422 PolarHBondContact O-N 3.43Å; L419-A422 PolarHBondContact O-N 3.48Å; I420-A422 PolarHBondContact O-N 3.28Å; A422-G426 PolarHBondContact O-N 3.28Å |
| 423 | V | 66.1 | Low | 60.1 | Low | 84 Ų | 84 | 111.5 Ų | 111.5 | 51% | 0.509 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.3 | -42.8 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L419 G426 Y427 | L419-V423 HydrophobicContact CD2-CG2 4.24Å; L419-V423 VanDerWaalsContact O-CG2 3.28Å; L419-V423 WeakPolarHBondContact O-CG2 3.24Å; L419-V423 PolarHBondContact O-N 2.9Å; V423-G426 PolarHBondContact O-N 3.46Å; V423-Y427 WeakPolarHBondContact O-CB 3.45Å; V423-Y427 PolarHBondContact O-N 2.92Å |
| 424 | W | 61.7 | Low | 58.7 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -45.4 | 177.7 | -174.3 | -108.7 | 0 | 0 | 0 | 112.6 | I420 G426 Y427 L428 | I420-W424 PolarHBondContact O-N 2.97Å; W424-G426 VanDerWaalsContact C-N 3.25Å; W424-G426 PolarHBondContact O-N 3.31Å; W424-Y427 PolarHBondContact O-N 3.29Å; W424-L428 PolarHBondContact O-N 3.18Å; W424-L428 VanDerWaalsContact O-N 3.11Å |
| 425 | K | 60.2 | Low | 57.4 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 64% | 0.635 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.6 | -35.1 | 172.9 | -73.2 | -179.5 | -179.9 | -179.9 | 0 | 111.5 | Q421 V429 | Q421-K425 WeakPolarHBondContact O-CB 3.31Å; Q421-K425 VanDerWaalsContact O-CG 3.28Å; Q421-K425 WeakPolarHBondContact O-CG 3.47Å; Q421-K425 PolarHBondContact O-N 3.29Å; Q421-K425 VanDerWaalsContact O-N 3.11Å; K425-V429 WeakPolarHBondContact O-CB 3.45Å; K425-V429 WeakPolarHBondContact O-CG2 3.31Å; K425-V429 PolarHBondContact O-N 2.86Å |
| 426 | G | 55 | Low | 56.8 | Low | 11 Ų | 11 | 116.4 Ų | 116.4 | 11% | 0.113 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -72.3 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A422 V423 W424 V429 R430 | A422-G426 PolarHBondContact O-N 3.28Å; V423-G426 PolarHBondContact O-N 3.46Å; W424-G426 VanDerWaalsContact C-N 3.25Å; W424-G426 PolarHBondContact O-N 3.31Å; G426-V429 PolarHBondContact O-N 3.36Å; G426-R430 VanDerWaalsContact C-NH2 3.25Å; G426-R430 VanDerWaalsContact O-CB 3.31Å; G426-R430 WeakPolarHBondContact O-CB 3.42Å; G426-R430 VanDerWaalsContact O-CG 3.24Å; G426-R430 WeakPolarHBondContact O-CG 3.46Å; G426-R430 PolarHBondContact O-N 3.46Å; G426-R430 PolarHBondContact O-NE 2.91Å |
| 427 | Y | 59.8 | Low | 54.9 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69 | -44.4 | 177.2 | 178.7 | -103.4 | 0 | 0 | 0 | 111.7 | V423 W424 V429 R430 S431 | V423-Y427 WeakPolarHBondContact O-CB 3.45Å; V423-Y427 PolarHBondContact O-N 2.92Å; W424-Y427 PolarHBondContact O-N 3.29Å; Y427-V429 PolarHBondContact O-N 3.11Å; Y427-R430 PolarHBondContact O-N 3.01Å; Y427-S431 PolarHBondContact O-N 3.11Å |
| 428 | L | 57.1 | Low | 53.1 | Low | 118 Ų | 118 | 127 Ų | 127 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.2 | -33.8 | 175.5 | -160.8 | 71.7 | 0 | 0 | 0 | 111.8 | W424 | W424-L428 PolarHBondContact O-N 3.18Å; W424-L428 VanDerWaalsContact O-N 3.11Å |
| 429 | V | 53.8 | Low | 51.3 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.7 | -26.6 | -179.7 | 171.3 | 0 | 0 | 0 | 0 | 113.3 | K425 G426 Y427 | K425-V429 WeakPolarHBondContact O-CB 3.45Å; K425-V429 WeakPolarHBondContact O-CG2 3.31Å; K425-V429 PolarHBondContact O-N 2.86Å; G426-V429 PolarHBondContact O-N 3.36Å; Y427-V429 PolarHBondContact O-N 3.11Å |
| 430 | R | 50.9 | Low | 49.3 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.7 | -23.6 | -178 | -75.5 | -178 | -69.8 | -97.1 | 3.3 | 114.5 | G426 Y427 | G426-R430 VanDerWaalsContact C-NH2 3.25Å; G426-R430 VanDerWaalsContact O-CB 3.31Å; G426-R430 WeakPolarHBondContact O-CB 3.42Å; G426-R430 VanDerWaalsContact O-CG 3.24Å; G426-R430 WeakPolarHBondContact O-CG 3.46Å; G426-R430 PolarHBondContact O-N 3.46Å; G426-R430 PolarHBondContact O-NE 2.91Å; Y427-R430 PolarHBondContact O-N 3.01Å |
| 431 | S | 45.3 | Very low | 47.6 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.2 | -30.4 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | Y427 | Y427-S431 PolarHBondContact O-N 3.11Å |
| 432 | M | 53.7 | Low | 46 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 17.1 | -168.3 | -78.5 | -80 | -92.6 | 0 | 0 | 116.3 | ||
| 433 | L | 36.5 | Very low | 44.3 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -170 | 70.1 | 173.2 | -103.2 | 149.7 | 0 | 0 | 0 | 120.3 | K437 | L433-K437 WeakPolarHBondContact CD2-O 3.33Š|
| 434 | R | 39.3 | Very low | 42.4 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -150.5 | 58.8 | 147.2 | -92.8 | -156.7 | -164.3 | -111.2 | 4.4 | 112.4 | K436 | R434-K436 VanDerWaalsContact C-CE 3.47Å; R434-K436 HydrophobicContact CB-CD 4.42Å; R434-K436 HydrophobicContact CB-CG 4.44Å; R434-K436 WeakPolarHBondContact O-CE 3.28Å; R434-K436 WeakPolarHBondContact O-CG 3.09Å |
| 435 | S | 43.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -167.5 | 71.8 | 155.2 | 39 | 0 | 0 | 0 | 0 | 108.5 | ||
| 436 | K | 53.4 | Low | 39.4 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | cis | -175.9 | 78.4 | -11.2 | -97 | -168.8 | -135 | 158.9 | 0 | 104.5 | R434 | R434-K436 VanDerWaalsContact C-CE 3.47Å; R434-K436 HydrophobicContact CB-CD 4.42Å; R434-K436 HydrophobicContact CB-CG 4.44Å; R434-K436 WeakPolarHBondContact O-CE 3.28Å; R434-K436 WeakPolarHBondContact O-CG 3.09Å | ||
| 437 | K | 29.9 | Very low | 38.1 | Very low | 164 Ų | 164 | 146 Ų | 146 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -161.8 | 135.7 | -153.5 | -143.8 | 168.2 | -176.2 | 173.3 | 0 | 113.9 | L433 | L433-K437 WeakPolarHBondContact CD2-O 3.33Š| ||
| 438 | K | 29.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | trans | 72.8 | 120.8 | 153.1 | -85.6 | 178.2 | 176.2 | 176 | 0 | 122.2 | ||||
| 439 | K | 27.4 | Very low | 35.2 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | trans | 83.9 | 119.2 | 131.5 | -77.5 | -176.2 | 176.2 | -177.2 | 0 | 121.4 | ||||
| 440 | R | 25.2 | Very low | 34 | Very low | 231 Ų | 231 | 151.9 Ų | 151.9 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | 53.4 | 129 | 127.3 | -75.1 | 170.4 | 80.8 | 167.8 | -0.1 | 120.4 | |||||
| 441 | G | 26.9 | Very low | 33 | Very low | 74 Ų | 74 | 153.4 Ų | 153.4 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 105.5 | 120.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 442 | K | 27.4 | Very low | 32.2 | Very low | 215 Ų | 215 | 152.4 Ų | 152.4 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | cis | 102.8 | 119.5 | 47.4 | -175.7 | 177.7 | -172.1 | 179.4 | 0 | 110.3 | ||||
| 443 | G | 26.9 | Very low | 31.1 | Very low | 70 Ų | 70 | 153.7 Ų | 153.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 139.8 | 101.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 444 | K | 27.9 | Very low | 30.7 | Very low | 211 Ų | 211 | 154.1 Ų | 154.1 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | cis | 73.5 | 117.8 | 42.5 | -156.5 | -178.9 | -174.3 | -178.8 | 0 | 113.1 | ||||
| 445 | G | 29.2 | Very low | 30.2 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 138.9 | 100.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 446 | K | 28.6 | Very low | 29.4 | Very low | 216 Ų | 216 | 154.2 Ų | 154.2 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | cis | 66.8 | 109.3 | 40.9 | -146.6 | -174.1 | -169.8 | -174.8 | 0 | 112.5 | ||||
| 447 | G | 27.9 | Very low | 28.3 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | 156.9 | 103.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 448 | K | 28.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | 84.2 | 123.6 | 75.8 | -96.7 | -173.7 | 161.7 | -131.5 | 0 | 112.1 | |||||
| 449 | E | 27.6 | Very low | 28.5 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | 63.8 | 122.3 | 121.6 | -71.8 | 175.8 | 138.1 | 0 | 0 | 114.3 | |||||
| 450 | E | 29.4 | Very low | 28.7 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | -168.8 | 140.8 | 81.9 | -96.5 | 178.2 | 137.3 | 0 | 0 | 108 | |||||
| 451 | K | 28.5 | Very low | 29.1 | Very low | 206 Ų | 206 | 143.1 Ų | 143.1 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | 54 | 105.3 | 60 | -96.6 | -170.1 | -179.7 | 177.4 | 0 | 115.8 | |||||
| 452 | G | 30 | Very low | 29.5 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 169.4 | 98 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 453 | K | 29.9 | Very low | 30 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 67.7 | 115.3 | 93 | -93.9 | -173.6 | 171.1 | 178.6 | 0 | 113.2 | |||||
| 454 | E | 27.2 | Very low | 30.7 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | 64.9 | 135.8 | 103.4 | -79 | -169.1 | 123.7 | 0 | 0 | 112.5 | |||||
| 455 | K | 30.1 | Very low | 31.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | cis | -177.6 | 152.2 | 21.4 | -129 | 170.3 | 177.5 | 149.1 | 0 | 108 | ||||
| 456 | K | 26.7 | Very low | 32.2 | Very low | 194 Ų | 194 | 159.9 Ų | 159.9 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | 51.9 | 133.1 | 135 | -82.6 | 177.7 | 176.4 | -176.2 | 0 | 122.2 | ||||
| 457 | G | 30.5 | Very low | 32.4 | Very low | 70 Ų | 70 | 157.1 Ų | 157.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 151 | 68.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 458 | K | 30.4 | Very low | 32.7 | Very low | 221 Ų | 221 | 162 Ų | 162 | 96% | 0.961 | 82% | 0.824 | S | S | * | * | 49.5 | 115 | 93 | -128.6 | -170 | -169.3 | -175.8 | 0 | 113.6 | |||||
| 459 | G | 31.8 | Very low | 32.9 | Very low | 75 Ų | 75 | 161.2 Ų | 161.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | 168.5 | 71.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 460 | K | 33.3 | Very low | 33.2 | Very low | 218 Ų | 218 | 162.1 Ų | 162.1 | 95% | 0.948 | 84% | 0.836 | S | S | * | * | trans | 21.4 | 125.5 | 146.2 | -80.5 | 177.2 | 170 | -176.7 | 0 | 120.2 | ||||
| 461 | G | 32.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 160.7 Ų | 160.7 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | 109.3 | 115.5 | 115.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 462 | K | 35.7 | Very low | 33.8 | Very low | 221 Ų | 221 | 157.7 Ų | 157.7 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | 163.5 | 149.4 | 117.8 | -94 | -178.5 | 177.5 | 179.3 | 0 | 111.2 | |||||
| 463 | G | 37.5 | Very low | 34 | Very low | 72 Ų | 72 | 163.9 Ų | 163.9 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | 122.6 | 132.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 464 | K | 42.2 | Very low | 34.4 | Very low | 214 Ų | 214 | 162.5 Ų | 162.5 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | cis | -170.1 | 131.1 | 3.3 | -132.8 | 173 | 178.2 | -178.9 | 0 | 104.2 | ||||
| 465 | K | 43.8 | Very low | 35 | Very low | 204 Ų | 204 | 165.3 Ų | 165.3 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | trans | -143 | 120.2 | 165.6 | -104.5 | -173.5 | 176.5 | -178.1 | 0 | 105.5 | ||||
| 466 | K | 44.8 | Very low | 35.4 | Very low | 280 Ų | 280 | 167.2 Ų | 167.2 | 100% | 1.217 | 88% | 0.882 | S | S | * | * | -148.5 | 0 | 83.2 | -102 | -179.6 | 173 | -177.9 | 0 | 108.3 |
Retrieved 466 of 466 residues in 87.8 ms
(Link to these results)